USER MOD reduce.3.24.130724 H: found=0, std=0, add=1404, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1400 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 Single : A 1 MET CE :methyl 128:sc= -1.07 (180deg=-2.41!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -3.46! C(o=-3.5!,f=-9.8!) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.154 X(o=-0.15,f=-0.0086) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -4.31! C(o=-4.3!,f=-9.8!) USER MOD Single : A 31 GLN : amide:sc= -10.8! C(o=-11!,f=-19!) USER MOD Single : A 33 CYS SG : rot 170:sc= -3.63! USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -10.2! C(o=-10!,f=-11!) USER MOD Single : A 41 HIS : no HD1:sc=-0.00218 X(o=-0.0022,f=-0.15) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot -90:sc= -1.15 USER MOD Single : A 53 GLN : amide:sc= -1.79! C(o=-1.8!,f=-4.3!) USER MOD Single : A 56 TYR OH : rot 180:sc= -2.29! USER MOD Single : A 61 TYR OH : rot 24:sc= 0.861 USER MOD Single : A 62 THR OG1 : rot 40:sc= 0.0465! USER MOD Single : A 64 HIS : no HD1:sc= -0.635 K(o=-0.63,f=-3.8!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -128:sc= -1.33 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -4.9! C(o=-4.9!,f=-2.1!) USER MOD Single : A 75 SER OG : rot 180:sc= -0.664 USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl -102:sc= -1.1 (180deg=-2.42!) USER MOD Single : B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 GLN : amide:sc= -3.49! C(o=-3.5!,f=-9.7!) USER MOD Single : B 12 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : B 14 THR OG1 : rot 180:sc= 0 USER MOD Single : B 15 THR OG1 : rot 180:sc= 0 USER MOD Single : B 17 SER OG : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot 180:sc= 0 USER MOD Single : B 22 GLN : amide:sc= -0.211 X(o=-0.21,f=-0.0081) USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 SER OG : rot 180:sc= 0 USER MOD Single : B 29 ASN : amide:sc= -4.02! C(o=-4!,f=-9.6!) USER MOD Single : B 31 GLN : amide:sc= -10.7! C(o=-11!,f=-19!) USER MOD Single : B 33 CYS SG : rot 170:sc= -3.62! USER MOD Single : B 34 TYR OH : rot 180:sc= 0 USER MOD Single : B 39 ASN : amide:sc= -10.1! C(o=-10!,f=-11!) USER MOD Single : B 41 HIS : no HD1:sc= 0 X(o=0,f=-0.16) USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 THR OG1 : rot -90:sc= -1.17 USER MOD Single : B 53 GLN : amide:sc= -1.89! C(o=-1.9!,f=-4.3!) USER MOD Single : B 56 TYR OH : rot 180:sc= -2.22! USER MOD Single : B 61 TYR OH : rot 26:sc= 0.83 USER MOD Single : B 62 THR OG1 : rot 40:sc= 0.048! USER MOD Single : B 64 HIS : no HD1:sc= -0.654 K(o=-0.65,f=-4!) USER MOD Single : B 66 SER OG : rot 180:sc= 0 USER MOD Single : B 67 SER OG : rot -129:sc= -1.29 USER MOD Single : B 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 72 GLN : amide:sc= -4.9! C(o=-4.9!,f=-2.3!) USER MOD Single : B 75 SER OG : rot 180:sc= -0.733 USER MOD Single : B 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.148 16.928 2.578 1.00 42.32 N ATOM 2 CA MET A 1 -1.750 16.598 2.977 1.00 40.89 C ATOM 3 C MET A 1 -1.770 15.592 4.126 1.00 34.75 C ATOM 4 O MET A 1 -2.478 15.759 5.099 1.00 33.97 O ATOM 5 CB MET A 1 -1.035 17.872 3.435 1.00 48.45 C ATOM 6 CG MET A 1 0.314 17.509 4.065 1.00 56.13 C ATOM 7 SD MET A 1 1.643 18.325 3.144 1.00 64.91 S ATOM 8 CE MET A 1 1.344 20.003 3.751 1.00 63.43 C ATOM 0 H1 MET A 1 -3.133 17.613 1.796 1.00 42.32 H new ATOM 0 H2 MET A 1 -3.635 16.062 2.271 1.00 42.32 H new ATOM 0 H3 MET A 1 -3.652 17.340 3.389 1.00 42.32 H new ATOM 0 HA MET A 1 -1.224 16.169 2.124 1.00 40.89 H new ATOM 0 HB2 MET A 1 -0.883 18.540 2.587 1.00 48.45 H new ATOM 0 HB3 MET A 1 -1.652 18.407 4.157 1.00 48.45 H new ATOM 0 HG2 MET A 1 0.336 17.820 5.110 1.00 56.13 H new ATOM 0 HG3 MET A 1 0.456 16.428 4.051 1.00 56.13 H new ATOM 0 HE1 MET A 1 2.273 20.421 4.138 1.00 63.43 H new ATOM 0 HE2 MET A 1 0.979 20.626 2.934 1.00 63.43 H new ATOM 0 HE3 MET A 1 0.600 19.975 4.547 1.00 63.43 H new ATOM 20 N ILE A 2 -0.988 14.553 4.030 1.00 28.59 N ATOM 21 CA ILE A 2 -0.954 13.548 5.127 1.00 24.58 C ATOM 22 C ILE A 2 -0.250 14.176 6.324 1.00 19.29 C ATOM 23 O ILE A 2 0.901 13.906 6.600 1.00 19.53 O ATOM 24 CB ILE A 2 -0.198 12.308 4.662 1.00 25.10 C ATOM 25 CG1 ILE A 2 -0.675 11.911 3.266 1.00 28.92 C ATOM 26 CG2 ILE A 2 -0.472 11.158 5.629 1.00 23.06 C ATOM 27 CD1 ILE A 2 0.487 11.295 2.498 1.00 33.80 C ATOM 0 H ILE A 2 -0.372 14.357 3.241 1.00 28.59 H new ATOM 0 HA ILE A 2 -1.965 13.251 5.405 1.00 24.58 H new ATOM 0 HB ILE A 2 0.870 12.524 4.636 1.00 25.10 H new ATOM 0 HG12 ILE A 2 -1.497 11.199 3.338 1.00 28.92 H new ATOM 0 HG13 ILE A 2 -1.055 12.784 2.736 1.00 28.92 H new ATOM 0 HG21 ILE A 2 0.067 10.270 5.300 1.00 23.06 H new ATOM 0 HG22 ILE A 2 -0.138 11.436 6.629 1.00 23.06 H new ATOM 0 HG23 ILE A 2 -1.541 10.947 5.650 1.00 23.06 H new ATOM 0 HD11 ILE A 2 0.153 11.009 1.500 1.00 33.80 H new ATOM 0 HD12 ILE A 2 1.295 12.022 2.416 1.00 33.80 H new ATOM 0 HD13 ILE A 2 0.846 10.412 3.027 1.00 33.80 H new ATOM 39 N LYS A 3 -0.936 15.040 7.016 1.00 18.14 N ATOM 40 CA LYS A 3 -0.324 15.736 8.180 1.00 16.66 C ATOM 41 C LYS A 3 0.058 14.741 9.281 1.00 14.94 C ATOM 42 O LYS A 3 -0.482 13.658 9.383 1.00 13.94 O ATOM 43 CB LYS A 3 -1.304 16.800 8.704 1.00 16.94 C ATOM 44 CG LYS A 3 -2.026 16.294 9.949 1.00 17.85 C ATOM 45 CD LYS A 3 -3.133 17.274 10.340 1.00 19.63 C ATOM 46 CE LYS A 3 -2.578 18.699 10.336 1.00 26.28 C ATOM 47 NZ LYS A 3 -3.140 19.456 11.490 1.00 32.72 N ATOM 0 H LYS A 3 -1.904 15.296 6.823 1.00 18.14 H new ATOM 0 HA LYS A 3 0.596 16.226 7.861 1.00 16.66 H new ATOM 0 HB2 LYS A 3 -0.763 17.717 8.937 1.00 16.94 H new ATOM 0 HB3 LYS A 3 -2.031 17.046 7.930 1.00 16.94 H new ATOM 0 HG2 LYS A 3 -2.451 15.308 9.759 1.00 17.85 H new ATOM 0 HG3 LYS A 3 -1.319 16.183 10.771 1.00 17.85 H new ATOM 0 HD2 LYS A 3 -3.966 17.195 9.642 1.00 19.63 H new ATOM 0 HD3 LYS A 3 -3.520 17.026 11.328 1.00 19.63 H new ATOM 0 HE2 LYS A 3 -1.490 18.677 10.398 1.00 26.28 H new ATOM 0 HE3 LYS A 3 -2.834 19.198 9.401 1.00 26.28 H new ATOM 0 HZ1 LYS A 3 -2.762 20.425 11.487 1.00 32.72 H new ATOM 0 HZ2 LYS A 3 -4.177 19.488 11.412 1.00 32.72 H new ATOM 0 HZ3 LYS A 3 -2.874 18.984 12.378 1.00 32.72 H new ATOM 61 N VAL A 4 0.996 15.125 10.103 1.00 12.42 N ATOM 62 CA VAL A 4 1.449 14.246 11.209 1.00 12.99 C ATOM 63 C VAL A 4 2.234 15.098 12.217 1.00 14.26 C ATOM 64 O VAL A 4 2.582 16.229 11.949 1.00 13.80 O ATOM 65 CB VAL A 4 2.328 13.097 10.643 1.00 12.94 C ATOM 66 CG1 VAL A 4 2.929 13.492 9.290 1.00 14.46 C ATOM 67 CG2 VAL A 4 3.467 12.752 11.616 1.00 10.41 C ATOM 0 H VAL A 4 1.473 16.025 10.051 1.00 12.42 H new ATOM 0 HA VAL A 4 0.594 13.794 11.712 1.00 12.99 H new ATOM 0 HB VAL A 4 1.688 12.224 10.514 1.00 12.94 H new ATOM 0 HG11 VAL A 4 3.541 12.674 8.911 1.00 14.46 H new ATOM 0 HG12 VAL A 4 2.127 13.703 8.583 1.00 14.46 H new ATOM 0 HG13 VAL A 4 3.548 14.381 9.412 1.00 14.46 H new ATOM 0 HG21 VAL A 4 4.070 11.945 11.199 1.00 10.41 H new ATOM 0 HG22 VAL A 4 4.093 13.631 11.769 1.00 10.41 H new ATOM 0 HG23 VAL A 4 3.047 12.435 12.571 1.00 10.41 H new ATOM 77 N GLU A 5 2.504 14.564 13.376 1.00 9.27 N ATOM 78 CA GLU A 5 3.256 15.340 14.402 1.00 10.51 C ATOM 79 C GLU A 5 4.230 14.421 15.124 1.00 10.00 C ATOM 80 O GLU A 5 3.841 13.523 15.844 1.00 10.96 O ATOM 81 CB GLU A 5 2.275 15.934 15.412 1.00 10.42 C ATOM 82 CG GLU A 5 1.751 17.265 14.879 1.00 18.68 C ATOM 83 CD GLU A 5 0.886 17.940 15.946 1.00 18.63 C ATOM 84 OE1 GLU A 5 1.129 17.698 17.117 1.00 22.12 O ATOM 85 OE2 GLU A 5 -0.003 18.687 15.574 1.00 19.38 O ATOM 0 H GLU A 5 2.236 13.621 13.658 1.00 9.27 H new ATOM 0 HA GLU A 5 3.808 16.143 13.914 1.00 10.51 H new ATOM 0 HB2 GLU A 5 1.447 15.245 15.582 1.00 10.42 H new ATOM 0 HB3 GLU A 5 2.768 16.082 16.373 1.00 10.42 H new ATOM 0 HG2 GLU A 5 2.584 17.913 14.608 1.00 18.68 H new ATOM 0 HG3 GLU A 5 1.167 17.101 13.973 1.00 18.68 H new ATOM 92 N ILE A 6 5.497 14.644 14.947 1.00 9.86 N ATOM 93 CA ILE A 6 6.495 13.782 15.643 1.00 10.60 C ATOM 94 C ILE A 6 6.492 14.156 17.134 1.00 10.16 C ATOM 95 O ILE A 6 7.032 15.169 17.531 1.00 11.64 O ATOM 96 CB ILE A 6 7.893 13.971 15.004 1.00 9.14 C ATOM 97 CG1 ILE A 6 8.168 12.800 14.057 1.00 14.23 C ATOM 98 CG2 ILE A 6 8.988 14.003 16.071 1.00 12.29 C ATOM 99 CD1 ILE A 6 8.007 13.258 12.607 1.00 13.81 C ATOM 0 H ILE A 6 5.887 15.379 14.356 1.00 9.86 H new ATOM 0 HA ILE A 6 6.236 12.728 15.542 1.00 10.60 H new ATOM 0 HB ILE A 6 7.901 14.919 14.466 1.00 9.14 H new ATOM 0 HG12 ILE A 6 9.177 12.419 14.218 1.00 14.23 H new ATOM 0 HG13 ILE A 6 7.481 11.981 14.268 1.00 14.23 H new ATOM 0 HG21 ILE A 6 9.958 14.137 15.593 1.00 12.29 H new ATOM 0 HG22 ILE A 6 8.804 14.830 16.756 1.00 12.29 H new ATOM 0 HG23 ILE A 6 8.983 13.065 16.626 1.00 12.29 H new ATOM 0 HD11 ILE A 6 8.204 12.421 11.937 1.00 13.81 H new ATOM 0 HD12 ILE A 6 6.990 13.617 12.450 1.00 13.81 H new ATOM 0 HD13 ILE A 6 8.712 14.063 12.399 1.00 13.81 H new ATOM 111 N LYS A 7 5.876 13.345 17.959 1.00 11.63 N ATOM 112 CA LYS A 7 5.822 13.649 19.416 1.00 11.59 C ATOM 113 C LYS A 7 7.236 13.933 19.928 1.00 12.98 C ATOM 114 O LYS A 7 8.204 13.595 19.275 1.00 9.79 O ATOM 115 CB LYS A 7 5.235 12.436 20.147 1.00 12.52 C ATOM 116 CG LYS A 7 3.964 11.970 19.435 1.00 14.26 C ATOM 117 CD LYS A 7 3.082 13.179 19.112 1.00 15.70 C ATOM 118 CE LYS A 7 2.570 13.803 20.412 1.00 19.19 C ATOM 119 NZ LYS A 7 1.950 15.126 20.119 1.00 25.43 N ATOM 0 H LYS A 7 5.407 12.483 17.681 1.00 11.63 H new ATOM 0 HA LYS A 7 5.198 14.524 19.596 1.00 11.59 H new ATOM 0 HB2 LYS A 7 5.965 11.627 20.174 1.00 12.52 H new ATOM 0 HB3 LYS A 7 5.009 12.697 21.181 1.00 12.52 H new ATOM 0 HG2 LYS A 7 4.222 11.441 18.518 1.00 14.26 H new ATOM 0 HG3 LYS A 7 3.419 11.268 20.066 1.00 14.26 H new ATOM 0 HD2 LYS A 7 3.650 13.915 18.543 1.00 15.70 H new ATOM 0 HD3 LYS A 7 2.242 12.873 18.488 1.00 15.70 H new ATOM 0 HE2 LYS A 7 1.840 13.144 20.881 1.00 19.19 H new ATOM 0 HE3 LYS A 7 3.392 13.923 21.118 1.00 19.19 H new ATOM 0 HZ1 LYS A 7 1.602 15.550 21.003 1.00 25.43 H new ATOM 0 HZ2 LYS A 7 2.659 15.754 19.689 1.00 25.43 H new ATOM 0 HZ3 LYS A 7 1.156 14.999 19.460 1.00 25.43 H new ATOM 133 N PRO A 8 7.317 14.536 21.087 1.00 13.56 N ATOM 134 CA PRO A 8 8.609 14.863 21.708 1.00 11.93 C ATOM 135 C PRO A 8 9.259 13.583 22.230 1.00 10.20 C ATOM 136 O PRO A 8 10.430 13.551 22.554 1.00 12.05 O ATOM 137 CB PRO A 8 8.240 15.826 22.840 1.00 12.78 C ATOM 138 CG PRO A 8 6.747 15.577 23.152 1.00 12.51 C ATOM 139 CD PRO A 8 6.140 14.936 21.888 1.00 13.61 C ATOM 0 HA PRO A 8 9.330 15.311 21.024 1.00 11.93 H new ATOM 0 HB2 PRO A 8 8.857 15.645 23.721 1.00 12.78 H new ATOM 0 HB3 PRO A 8 8.407 16.861 22.540 1.00 12.78 H new ATOM 0 HG2 PRO A 8 6.635 14.919 24.014 1.00 12.51 H new ATOM 0 HG3 PRO A 8 6.240 16.511 23.396 1.00 12.51 H new ATOM 0 HD2 PRO A 8 5.516 14.077 22.137 1.00 13.61 H new ATOM 0 HD3 PRO A 8 5.510 15.642 21.346 1.00 13.61 H new ATOM 147 N SER A 9 8.506 12.520 22.283 1.00 10.65 N ATOM 148 CA SER A 9 9.070 11.226 22.747 1.00 10.83 C ATOM 149 C SER A 9 9.519 10.422 21.524 1.00 10.94 C ATOM 150 O SER A 9 9.957 9.294 21.635 1.00 13.16 O ATOM 151 CB SER A 9 8.001 10.445 23.512 1.00 13.01 C ATOM 152 OG SER A 9 7.069 11.356 24.080 1.00 15.52 O ATOM 0 H SER A 9 7.520 12.494 22.023 1.00 10.65 H new ATOM 0 HA SER A 9 9.919 11.404 23.407 1.00 10.83 H new ATOM 0 HB2 SER A 9 7.489 9.754 22.842 1.00 13.01 H new ATOM 0 HB3 SER A 9 8.464 9.845 24.295 1.00 13.01 H new ATOM 0 HG SER A 9 6.382 10.858 24.570 1.00 15.52 H new ATOM 158 N GLN A 10 9.413 11.000 20.354 1.00 10.02 N ATOM 159 CA GLN A 10 9.830 10.285 19.120 1.00 11.55 C ATOM 160 C GLN A 10 10.803 11.169 18.342 1.00 13.72 C ATOM 161 O GLN A 10 10.725 11.278 17.137 1.00 17.31 O ATOM 162 CB GLN A 10 8.608 10.002 18.245 1.00 6.60 C ATOM 163 CG GLN A 10 7.428 9.597 19.125 1.00 7.20 C ATOM 164 CD GLN A 10 7.539 8.114 19.484 1.00 10.36 C ATOM 165 OE1 GLN A 10 8.510 7.466 19.147 1.00 13.01 O ATOM 166 NE2 GLN A 10 6.578 7.545 20.160 1.00 4.80 N ATOM 0 H GLN A 10 9.053 11.942 20.205 1.00 10.02 H new ATOM 0 HA GLN A 10 10.307 9.343 19.390 1.00 11.55 H new ATOM 0 HB2 GLN A 10 8.353 10.887 17.663 1.00 6.60 H new ATOM 0 HB3 GLN A 10 8.834 9.207 17.534 1.00 6.60 H new ATOM 0 HG2 GLN A 10 7.414 10.201 20.032 1.00 7.20 H new ATOM 0 HG3 GLN A 10 6.490 9.786 18.602 1.00 7.20 H new ATOM 0 HE21 GLN A 10 5.763 8.088 20.443 1.00 4.80 H new ATOM 0 HE22 GLN A 10 6.643 6.557 20.405 1.00 4.80 H new ATOM 175 N ALA A 11 11.706 11.822 19.020 1.00 15.28 N ATOM 176 CA ALA A 11 12.666 12.714 18.308 1.00 18.95 C ATOM 177 C ALA A 11 13.996 11.990 18.084 1.00 20.75 C ATOM 178 O ALA A 11 14.984 12.593 17.714 1.00 24.78 O ATOM 179 CB ALA A 11 12.907 13.973 19.144 1.00 17.72 C ATOM 0 H ALA A 11 11.821 11.777 20.032 1.00 15.28 H new ATOM 0 HA ALA A 11 12.244 12.988 17.341 1.00 18.95 H new ATOM 0 HB1 ALA A 11 13.609 14.626 18.625 1.00 17.72 H new ATOM 0 HB2 ALA A 11 11.963 14.498 19.291 1.00 17.72 H new ATOM 0 HB3 ALA A 11 13.321 13.693 20.113 1.00 17.72 H new ATOM 185 N GLN A 12 14.033 10.706 18.302 1.00 22.50 N ATOM 186 CA GLN A 12 15.304 9.957 18.098 1.00 25.43 C ATOM 187 C GLN A 12 15.029 8.645 17.366 1.00 22.80 C ATOM 188 O GLN A 12 14.113 7.917 17.693 1.00 20.93 O ATOM 189 CB GLN A 12 15.937 9.656 19.451 1.00 30.18 C ATOM 190 CG GLN A 12 16.899 10.783 19.806 1.00 42.11 C ATOM 191 CD GLN A 12 17.703 10.402 21.051 1.00 46.61 C ATOM 192 OE1 GLN A 12 17.157 9.885 22.005 1.00 46.27 O ATOM 193 NE2 GLN A 12 18.987 10.637 21.083 1.00 47.90 N ATOM 0 H GLN A 12 13.241 10.143 18.612 1.00 22.50 H new ATOM 0 HA GLN A 12 15.982 10.565 17.499 1.00 25.43 H new ATOM 0 HB2 GLN A 12 15.166 9.563 20.216 1.00 30.18 H new ATOM 0 HB3 GLN A 12 16.467 8.704 19.416 1.00 30.18 H new ATOM 0 HG2 GLN A 12 17.573 10.975 18.971 1.00 42.11 H new ATOM 0 HG3 GLN A 12 16.345 11.704 19.987 1.00 42.11 H new ATOM 0 HE21 GLN A 12 19.446 11.071 20.282 1.00 47.90 H new ATOM 0 HE22 GLN A 12 19.531 10.386 21.909 1.00 47.90 H new ATOM 202 N PHE A 13 15.822 8.335 16.377 1.00 21.61 N ATOM 203 CA PHE A 13 15.620 7.076 15.625 1.00 20.51 C ATOM 204 C PHE A 13 16.315 5.933 16.354 1.00 18.83 C ATOM 205 O PHE A 13 17.149 6.145 17.212 1.00 18.83 O ATOM 206 CB PHE A 13 16.246 7.227 14.248 1.00 19.56 C ATOM 207 CG PHE A 13 17.653 7.744 14.429 1.00 19.62 C ATOM 208 CD1 PHE A 13 18.678 6.868 14.802 1.00 15.55 C ATOM 209 CD2 PHE A 13 17.929 9.104 14.238 1.00 20.50 C ATOM 210 CE1 PHE A 13 19.979 7.350 14.982 1.00 14.07 C ATOM 211 CE2 PHE A 13 19.230 9.586 14.416 1.00 20.75 C ATOM 212 CZ PHE A 13 20.254 8.709 14.788 1.00 18.48 C ATOM 0 H PHE A 13 16.605 8.907 16.060 1.00 21.61 H new ATOM 0 HA PHE A 13 14.554 6.864 15.539 1.00 20.51 H new ATOM 0 HB2 PHE A 13 16.256 6.270 13.727 1.00 19.56 H new ATOM 0 HB3 PHE A 13 15.662 7.916 13.638 1.00 19.56 H new ATOM 0 HD1 PHE A 13 18.465 5.820 14.951 1.00 15.55 H new ATOM 0 HD2 PHE A 13 17.137 9.781 13.953 1.00 20.50 H new ATOM 0 HE1 PHE A 13 20.771 6.674 15.270 1.00 14.07 H new ATOM 0 HE2 PHE A 13 19.443 10.634 14.266 1.00 20.75 H new ATOM 0 HZ PHE A 13 21.259 9.081 14.926 1.00 18.48 H new ATOM 222 N THR A 14 15.994 4.723 16.008 1.00 14.89 N ATOM 223 CA THR A 14 16.653 3.569 16.667 1.00 13.37 C ATOM 224 C THR A 14 17.148 2.595 15.600 1.00 11.97 C ATOM 225 O THR A 14 16.487 2.352 14.610 1.00 10.76 O ATOM 226 CB THR A 14 15.660 2.857 17.584 1.00 13.68 C ATOM 227 OG1 THR A 14 15.036 3.806 18.438 1.00 13.48 O ATOM 228 CG2 THR A 14 16.402 1.819 18.424 1.00 9.24 C ATOM 0 H THR A 14 15.303 4.483 15.297 1.00 14.89 H new ATOM 0 HA THR A 14 17.495 3.925 17.260 1.00 13.37 H new ATOM 0 HB THR A 14 14.899 2.360 16.982 1.00 13.68 H new ATOM 0 HG1 THR A 14 14.398 3.348 19.025 1.00 13.48 H new ATOM 0 HG21 THR A 14 15.696 1.309 19.079 1.00 9.24 H new ATOM 0 HG22 THR A 14 16.877 1.091 17.766 1.00 9.24 H new ATOM 0 HG23 THR A 14 17.163 2.315 19.026 1.00 9.24 H new ATOM 236 N THR A 15 18.306 2.036 15.796 1.00 13.20 N ATOM 237 CA THR A 15 18.852 1.079 14.800 1.00 12.54 C ATOM 238 C THR A 15 18.774 -0.340 15.369 1.00 14.34 C ATOM 239 O THR A 15 19.415 -0.658 16.351 1.00 17.35 O ATOM 240 CB THR A 15 20.312 1.431 14.515 1.00 11.88 C ATOM 241 OG1 THR A 15 20.499 2.830 14.678 1.00 17.15 O ATOM 242 CG2 THR A 15 20.662 1.033 13.084 1.00 8.30 C ATOM 0 H THR A 15 18.901 2.202 16.608 1.00 13.20 H new ATOM 0 HA THR A 15 18.274 1.135 13.878 1.00 12.54 H new ATOM 0 HB THR A 15 20.959 0.894 15.208 1.00 11.88 H new ATOM 0 HG1 THR A 15 21.435 3.058 14.498 1.00 17.15 H new ATOM 0 HG21 THR A 15 21.703 1.284 12.881 1.00 8.30 H new ATOM 0 HG22 THR A 15 20.516 -0.040 12.959 1.00 8.30 H new ATOM 0 HG23 THR A 15 20.017 1.570 12.389 1.00 8.30 H new ATOM 250 N ARG A 16 17.994 -1.196 14.768 1.00 15.28 N ATOM 251 CA ARG A 16 17.884 -2.588 15.290 1.00 15.21 C ATOM 252 C ARG A 16 18.107 -3.583 14.152 1.00 16.91 C ATOM 253 O ARG A 16 17.188 -4.229 13.690 1.00 17.29 O ATOM 254 CB ARG A 16 16.495 -2.802 15.894 1.00 15.77 C ATOM 255 CG ARG A 16 16.456 -2.210 17.304 1.00 21.61 C ATOM 256 CD ARG A 16 17.183 -3.145 18.272 1.00 24.15 C ATOM 257 NE ARG A 16 16.206 -3.713 19.244 1.00 30.82 N ATOM 258 CZ ARG A 16 16.529 -4.751 19.970 1.00 29.13 C ATOM 259 NH1 ARG A 16 17.710 -5.297 19.848 1.00 34.38 N ATOM 260 NH2 ARG A 16 15.670 -5.244 20.819 1.00 25.71 N ATOM 0 H ARG A 16 17.431 -0.994 13.942 1.00 15.28 H new ATOM 0 HA ARG A 16 18.640 -2.745 16.059 1.00 15.21 H new ATOM 0 HB2 ARG A 16 15.738 -2.329 15.268 1.00 15.77 H new ATOM 0 HB3 ARG A 16 16.261 -3.866 15.928 1.00 15.77 H new ATOM 0 HG2 ARG A 16 16.926 -1.227 17.310 1.00 21.61 H new ATOM 0 HG3 ARG A 16 15.423 -2.071 17.623 1.00 21.61 H new ATOM 0 HD2 ARG A 16 17.672 -3.948 17.720 1.00 24.15 H new ATOM 0 HD3 ARG A 16 17.965 -2.601 18.802 1.00 24.15 H new ATOM 0 HE ARG A 16 15.283 -3.291 19.343 1.00 30.82 H new ATOM 0 HH11 ARG A 16 18.383 -4.913 19.185 1.00 34.38 H new ATOM 0 HH12 ARG A 16 17.959 -6.107 20.416 1.00 34.38 H new ATOM 0 HH21 ARG A 16 14.748 -4.820 20.916 1.00 25.71 H new ATOM 0 HH22 ARG A 16 15.921 -6.054 21.386 1.00 25.71 H new ATOM 274 N SER A 17 19.327 -3.711 13.710 1.00 22.35 N ATOM 275 CA SER A 17 19.640 -4.665 12.605 1.00 28.62 C ATOM 276 C SER A 17 18.516 -4.646 11.566 1.00 31.32 C ATOM 277 O SER A 17 17.565 -5.398 11.650 1.00 33.90 O ATOM 278 CB SER A 17 19.780 -6.077 13.176 1.00 30.78 C ATOM 279 OG SER A 17 21.155 -6.439 13.198 1.00 38.77 O ATOM 0 H SER A 17 20.128 -3.192 14.069 1.00 22.35 H new ATOM 0 HA SER A 17 20.574 -4.367 12.129 1.00 28.62 H new ATOM 0 HB2 SER A 17 19.365 -6.118 14.183 1.00 30.78 H new ATOM 0 HB3 SER A 17 19.215 -6.785 12.570 1.00 30.78 H new ATOM 0 HG SER A 17 21.249 -7.343 13.565 1.00 38.77 H new ATOM 285 N GLY A 18 18.620 -3.793 10.588 1.00 32.28 N ATOM 286 CA GLY A 18 17.563 -3.722 9.540 1.00 32.82 C ATOM 287 C GLY A 18 17.899 -4.689 8.405 1.00 34.58 C ATOM 288 O GLY A 18 19.045 -5.013 8.171 1.00 34.04 O ATOM 0 H GLY A 18 19.393 -3.139 10.468 1.00 32.28 H new ATOM 0 HA2 GLY A 18 16.593 -3.973 9.970 1.00 32.82 H new ATOM 0 HA3 GLY A 18 17.487 -2.705 9.154 1.00 32.82 H new ATOM 292 N VAL A 19 16.907 -5.149 7.692 1.00 36.31 N ATOM 293 CA VAL A 19 17.171 -6.088 6.566 1.00 38.94 C ATOM 294 C VAL A 19 16.472 -5.569 5.311 1.00 39.44 C ATOM 295 O VAL A 19 15.279 -5.340 5.303 1.00 39.08 O ATOM 296 CB VAL A 19 16.634 -7.477 6.914 1.00 39.83 C ATOM 297 CG1 VAL A 19 17.337 -8.528 6.053 1.00 41.87 C ATOM 298 CG2 VAL A 19 16.894 -7.769 8.394 1.00 39.95 C ATOM 0 H VAL A 19 15.925 -4.915 7.841 1.00 36.31 H new ATOM 0 HA VAL A 19 18.245 -6.155 6.390 1.00 38.94 H new ATOM 0 HB VAL A 19 15.562 -7.510 6.721 1.00 39.83 H new ATOM 0 HG11 VAL A 19 16.954 -9.518 6.302 1.00 41.87 H new ATOM 0 HG12 VAL A 19 17.149 -8.320 5.000 1.00 41.87 H new ATOM 0 HG13 VAL A 19 18.410 -8.496 6.243 1.00 41.87 H new ATOM 0 HG21 VAL A 19 16.511 -8.759 8.642 1.00 39.95 H new ATOM 0 HG22 VAL A 19 17.966 -7.735 8.589 1.00 39.95 H new ATOM 0 HG23 VAL A 19 16.390 -7.021 9.006 1.00 39.95 H new ATOM 308 N SER A 20 17.207 -5.370 4.255 1.00 41.09 N ATOM 309 CA SER A 20 16.591 -4.850 3.003 1.00 44.70 C ATOM 310 C SER A 20 15.452 -5.774 2.565 1.00 47.21 C ATOM 311 O SER A 20 14.325 -5.631 2.996 1.00 47.07 O ATOM 312 CB SER A 20 17.652 -4.785 1.905 1.00 44.37 C ATOM 313 OG SER A 20 18.361 -3.557 2.010 1.00 46.57 O ATOM 0 H SER A 20 18.211 -5.545 4.204 1.00 41.09 H new ATOM 0 HA SER A 20 16.192 -3.852 3.183 1.00 44.70 H new ATOM 0 HB2 SER A 20 18.340 -5.625 1.998 1.00 44.37 H new ATOM 0 HB3 SER A 20 17.183 -4.865 0.924 1.00 44.37 H new ATOM 0 HG SER A 20 19.044 -3.512 1.308 1.00 46.57 H new ATOM 319 N ARG A 21 15.733 -6.718 1.708 1.00 50.78 N ATOM 320 CA ARG A 21 14.663 -7.644 1.245 1.00 55.55 C ATOM 321 C ARG A 21 15.123 -9.090 1.434 1.00 55.58 C ATOM 322 O ARG A 21 15.200 -9.855 0.493 1.00 54.47 O ATOM 323 CB ARG A 21 14.375 -7.387 -0.234 1.00 59.49 C ATOM 324 CG ARG A 21 13.111 -8.141 -0.651 1.00 60.53 C ATOM 325 CD ARG A 21 12.977 -8.108 -2.173 1.00 64.36 C ATOM 326 NE ARG A 21 11.808 -7.255 -2.555 1.00 68.68 N ATOM 327 CZ ARG A 21 10.637 -7.417 -1.994 1.00 71.11 C ATOM 328 NH1 ARG A 21 10.403 -8.447 -1.223 1.00 70.71 N ATOM 329 NH2 ARG A 21 9.676 -6.573 -2.252 1.00 71.56 N ATOM 0 H ARG A 21 16.657 -6.887 1.309 1.00 50.78 H new ATOM 0 HA ARG A 21 13.757 -7.474 1.826 1.00 55.55 H new ATOM 0 HB2 ARG A 21 14.248 -6.319 -0.409 1.00 59.49 H new ATOM 0 HB3 ARG A 21 15.220 -7.711 -0.841 1.00 59.49 H new ATOM 0 HG2 ARG A 21 13.158 -9.172 -0.302 1.00 60.53 H new ATOM 0 HG3 ARG A 21 12.235 -7.687 -0.188 1.00 60.53 H new ATOM 0 HD2 ARG A 21 13.889 -7.714 -2.620 1.00 64.36 H new ATOM 0 HD3 ARG A 21 12.844 -9.119 -2.559 1.00 64.36 H new ATOM 0 HE ARG A 21 11.926 -6.534 -3.266 1.00 68.68 H new ATOM 0 HH11 ARG A 21 11.137 -9.134 -1.054 1.00 70.71 H new ATOM 0 HH12 ARG A 21 9.486 -8.563 -0.791 1.00 70.71 H new ATOM 0 HH21 ARG A 21 9.840 -5.792 -2.888 1.00 71.56 H new ATOM 0 HH22 ARG A 21 8.761 -6.694 -1.818 1.00 71.56 H new ATOM 343 N GLN A 22 15.433 -9.469 2.643 1.00 57.32 N ATOM 344 CA GLN A 22 15.891 -10.865 2.891 1.00 58.73 C ATOM 345 C GLN A 22 17.107 -11.162 2.012 1.00 58.18 C ATOM 346 O GLN A 22 17.454 -12.303 1.779 1.00 59.52 O ATOM 347 CB GLN A 22 14.763 -11.841 2.551 1.00 62.32 C ATOM 348 CG GLN A 22 13.615 -11.662 3.547 1.00 65.12 C ATOM 349 CD GLN A 22 13.173 -13.030 4.072 1.00 66.38 C ATOM 350 OE1 GLN A 22 12.956 -13.199 5.255 1.00 66.60 O ATOM 351 NE2 GLN A 22 13.031 -14.021 3.235 1.00 65.96 N ATOM 0 H GLN A 22 15.389 -8.873 3.469 1.00 57.32 H new ATOM 0 HA GLN A 22 16.163 -10.979 3.940 1.00 58.73 H new ATOM 0 HB2 GLN A 22 14.408 -11.664 1.536 1.00 62.32 H new ATOM 0 HB3 GLN A 22 15.132 -12.866 2.586 1.00 62.32 H new ATOM 0 HG2 GLN A 22 13.934 -11.029 4.375 1.00 65.12 H new ATOM 0 HG3 GLN A 22 12.777 -11.158 3.065 1.00 65.12 H new ATOM 0 HE21 GLN A 22 13.213 -13.879 2.241 1.00 65.96 H new ATOM 0 HE22 GLN A 22 12.738 -14.937 3.574 1.00 65.96 H new ATOM 360 N GLY A 23 17.758 -10.142 1.522 1.00 55.49 N ATOM 361 CA GLY A 23 18.951 -10.362 0.660 1.00 50.89 C ATOM 362 C GLY A 23 20.211 -9.946 1.420 1.00 48.17 C ATOM 363 O GLY A 23 21.156 -10.700 1.534 1.00 50.32 O ATOM 0 H GLY A 23 17.514 -9.165 1.683 1.00 55.49 H new ATOM 0 HA2 GLY A 23 19.017 -11.411 0.372 1.00 50.89 H new ATOM 0 HA3 GLY A 23 18.860 -9.784 -0.260 1.00 50.89 H new ATOM 367 N LYS A 24 20.229 -8.751 1.944 1.00 44.99 N ATOM 368 CA LYS A 24 21.425 -8.287 2.700 1.00 42.22 C ATOM 369 C LYS A 24 20.967 -7.529 3.950 1.00 42.41 C ATOM 370 O LYS A 24 19.978 -6.823 3.913 1.00 42.26 O ATOM 371 CB LYS A 24 22.262 -7.361 1.815 1.00 40.33 C ATOM 372 CG LYS A 24 22.802 -8.149 0.620 1.00 40.86 C ATOM 373 CD LYS A 24 24.141 -7.556 0.178 1.00 37.00 C ATOM 374 CE LYS A 24 25.080 -8.681 -0.258 1.00 36.58 C ATOM 375 NZ LYS A 24 26.301 -8.097 -0.881 1.00 34.22 N ATOM 0 H LYS A 24 19.467 -8.076 1.881 1.00 44.99 H new ATOM 0 HA LYS A 24 22.029 -9.145 2.994 1.00 42.22 H new ATOM 0 HB2 LYS A 24 21.655 -6.525 1.468 1.00 40.33 H new ATOM 0 HB3 LYS A 24 23.087 -6.939 2.389 1.00 40.33 H new ATOM 0 HG2 LYS A 24 22.928 -9.197 0.890 1.00 40.86 H new ATOM 0 HG3 LYS A 24 22.088 -8.116 -0.203 1.00 40.86 H new ATOM 0 HD2 LYS A 24 23.987 -6.857 -0.644 1.00 37.00 H new ATOM 0 HD3 LYS A 24 24.588 -6.992 0.996 1.00 37.00 H new ATOM 0 HE2 LYS A 24 25.355 -9.293 0.601 1.00 36.58 H new ATOM 0 HE3 LYS A 24 24.575 -9.336 -0.968 1.00 36.58 H new ATOM 0 HZ1 LYS A 24 26.940 -8.863 -1.177 1.00 34.22 H new ATOM 0 HZ2 LYS A 24 26.031 -7.531 -1.710 1.00 34.22 H new ATOM 0 HZ3 LYS A 24 26.786 -7.489 -0.190 1.00 34.22 H new ATOM 389 N PRO A 25 21.695 -7.701 5.025 1.00 42.36 N ATOM 390 CA PRO A 25 21.382 -7.047 6.306 1.00 40.32 C ATOM 391 C PRO A 25 21.844 -5.588 6.302 1.00 36.91 C ATOM 392 O PRO A 25 22.860 -5.249 5.728 1.00 36.63 O ATOM 393 CB PRO A 25 22.171 -7.862 7.329 1.00 42.73 C ATOM 394 CG PRO A 25 23.308 -8.551 6.548 1.00 43.71 C ATOM 395 CD PRO A 25 22.894 -8.560 5.066 1.00 44.10 C ATOM 0 HA PRO A 25 20.313 -7.022 6.517 1.00 40.32 H new ATOM 0 HB2 PRO A 25 22.572 -7.219 8.113 1.00 42.73 H new ATOM 0 HB3 PRO A 25 21.532 -8.598 7.816 1.00 42.73 H new ATOM 0 HG2 PRO A 25 24.248 -8.016 6.683 1.00 43.71 H new ATOM 0 HG3 PRO A 25 23.465 -9.567 6.911 1.00 43.71 H new ATOM 0 HD2 PRO A 25 23.687 -8.170 4.428 1.00 44.10 H new ATOM 0 HD3 PRO A 25 22.674 -9.570 4.719 1.00 44.10 H new ATOM 403 N TYR A 26 21.110 -4.724 6.947 1.00 32.09 N ATOM 404 CA TYR A 26 21.510 -3.291 6.992 1.00 27.86 C ATOM 405 C TYR A 26 21.112 -2.699 8.345 1.00 26.29 C ATOM 406 O TYR A 26 20.037 -2.947 8.847 1.00 28.07 O ATOM 407 CB TYR A 26 20.828 -2.519 5.851 1.00 23.99 C ATOM 408 CG TYR A 26 19.353 -2.306 6.139 1.00 24.09 C ATOM 409 CD1 TYR A 26 18.951 -1.409 7.136 1.00 24.19 C ATOM 410 CD2 TYR A 26 18.390 -2.987 5.383 1.00 24.63 C ATOM 411 CE1 TYR A 26 17.589 -1.198 7.381 1.00 24.77 C ATOM 412 CE2 TYR A 26 17.027 -2.772 5.627 1.00 24.84 C ATOM 413 CZ TYR A 26 16.628 -1.879 6.626 1.00 24.25 C ATOM 414 OH TYR A 26 15.285 -1.668 6.866 1.00 29.25 O ATOM 0 H TYR A 26 20.249 -4.950 7.445 1.00 32.09 H new ATOM 0 HA TYR A 26 22.590 -3.209 6.868 1.00 27.86 H new ATOM 0 HB2 TYR A 26 21.318 -1.555 5.717 1.00 23.99 H new ATOM 0 HB3 TYR A 26 20.943 -3.068 4.917 1.00 23.99 H new ATOM 0 HD1 TYR A 26 19.692 -0.880 7.716 1.00 24.19 H new ATOM 0 HD2 TYR A 26 18.698 -3.678 4.612 1.00 24.63 H new ATOM 0 HE1 TYR A 26 17.280 -0.509 8.153 1.00 24.77 H new ATOM 0 HE2 TYR A 26 16.285 -3.296 5.043 1.00 24.84 H new ATOM 0 HH TYR A 26 14.753 -2.218 6.254 1.00 29.25 H new ATOM 424 N SER A 27 21.975 -1.925 8.943 1.00 24.52 N ATOM 425 CA SER A 27 21.643 -1.323 10.265 1.00 22.20 C ATOM 426 C SER A 27 21.215 0.131 10.061 1.00 20.52 C ATOM 427 O SER A 27 21.985 1.049 10.263 1.00 23.07 O ATOM 428 CB SER A 27 22.875 -1.369 11.169 1.00 25.30 C ATOM 429 OG SER A 27 22.961 -2.649 11.781 1.00 29.25 O ATOM 0 H SER A 27 22.895 -1.684 8.574 1.00 24.52 H new ATOM 0 HA SER A 27 20.832 -1.883 10.730 1.00 22.20 H new ATOM 0 HB2 SER A 27 23.775 -1.170 10.587 1.00 25.30 H new ATOM 0 HB3 SER A 27 22.810 -0.592 11.931 1.00 25.30 H new ATOM 0 HG SER A 27 23.751 -2.682 12.360 1.00 29.25 H new ATOM 435 N LEU A 28 19.995 0.348 9.652 1.00 18.57 N ATOM 436 CA LEU A 28 19.523 1.742 9.424 1.00 16.31 C ATOM 437 C LEU A 28 18.856 2.282 10.690 1.00 14.21 C ATOM 438 O LEU A 28 18.595 1.557 11.629 1.00 16.97 O ATOM 439 CB LEU A 28 18.521 1.754 8.270 1.00 16.48 C ATOM 440 CG LEU A 28 18.781 2.969 7.378 1.00 22.19 C ATOM 441 CD1 LEU A 28 18.974 2.508 5.932 1.00 24.00 C ATOM 442 CD2 LEU A 28 17.586 3.923 7.456 1.00 22.01 C ATOM 0 H LEU A 28 19.305 -0.380 9.466 1.00 18.57 H new ATOM 0 HA LEU A 28 20.375 2.375 9.176 1.00 16.31 H new ATOM 0 HB2 LEU A 28 18.610 0.837 7.688 1.00 16.48 H new ATOM 0 HB3 LEU A 28 17.503 1.787 8.659 1.00 16.48 H new ATOM 0 HG LEU A 28 19.680 3.484 7.717 1.00 22.19 H new ATOM 0 HD11 LEU A 28 19.159 3.373 5.296 1.00 24.00 H new ATOM 0 HD12 LEU A 28 19.825 1.829 5.877 1.00 24.00 H new ATOM 0 HD13 LEU A 28 18.076 1.993 5.591 1.00 24.00 H new ATOM 0 HD21 LEU A 28 17.770 4.789 6.821 1.00 22.01 H new ATOM 0 HD22 LEU A 28 16.687 3.409 7.117 1.00 22.01 H new ATOM 0 HD23 LEU A 28 17.449 4.251 8.486 1.00 22.01 H new ATOM 454 N ASN A 29 18.583 3.557 10.718 1.00 11.64 N ATOM 455 CA ASN A 29 17.935 4.167 11.916 1.00 9.77 C ATOM 456 C ASN A 29 16.452 4.405 11.620 1.00 7.94 C ATOM 457 O ASN A 29 16.099 4.943 10.594 1.00 10.52 O ATOM 458 CB ASN A 29 18.608 5.508 12.265 1.00 14.73 C ATOM 459 CG ASN A 29 19.492 6.002 11.111 1.00 17.90 C ATOM 460 OD1 ASN A 29 20.252 5.245 10.539 1.00 23.31 O ATOM 461 ND2 ASN A 29 19.437 7.256 10.755 1.00 12.89 N ATOM 0 H ASN A 29 18.782 4.208 9.958 1.00 11.64 H new ATOM 0 HA ASN A 29 18.042 3.488 12.762 1.00 9.77 H new ATOM 0 HB2 ASN A 29 17.845 6.254 12.487 1.00 14.73 H new ATOM 0 HB3 ASN A 29 19.212 5.392 13.165 1.00 14.73 H new ATOM 0 HD21 ASN A 29 20.030 7.598 9.999 1.00 12.89 H new ATOM 0 HD22 ASN A 29 18.801 7.894 11.232 1.00 12.89 H new ATOM 468 N GLU A 30 15.579 4.002 12.505 1.00 8.58 N ATOM 469 CA GLU A 30 14.118 4.205 12.263 1.00 13.16 C ATOM 470 C GLU A 30 13.538 5.131 13.339 1.00 12.26 C ATOM 471 O GLU A 30 13.986 5.140 14.469 1.00 10.58 O ATOM 472 CB GLU A 30 13.403 2.854 12.317 1.00 14.93 C ATOM 473 CG GLU A 30 13.406 2.217 10.926 1.00 27.13 C ATOM 474 CD GLU A 30 13.994 0.807 11.010 1.00 33.28 C ATOM 475 OE1 GLU A 30 13.254 -0.103 11.344 1.00 38.01 O ATOM 476 OE2 GLU A 30 15.175 0.662 10.739 1.00 40.03 O ATOM 0 H GLU A 30 15.813 3.541 13.385 1.00 8.58 H new ATOM 0 HA GLU A 30 13.974 4.658 11.282 1.00 13.16 H new ATOM 0 HB2 GLU A 30 13.900 2.196 13.030 1.00 14.93 H new ATOM 0 HB3 GLU A 30 12.379 2.987 12.665 1.00 14.93 H new ATOM 0 HG2 GLU A 30 12.391 2.176 10.531 1.00 27.13 H new ATOM 0 HG3 GLU A 30 13.991 2.826 10.237 1.00 27.13 H new ATOM 483 N GLN A 31 12.539 5.906 13.000 1.00 10.34 N ATOM 484 CA GLN A 31 11.928 6.826 14.008 1.00 9.46 C ATOM 485 C GLN A 31 10.416 6.597 14.058 1.00 10.09 C ATOM 486 O GLN A 31 9.912 5.598 13.584 1.00 9.36 O ATOM 487 CB GLN A 31 12.206 8.284 13.618 1.00 7.25 C ATOM 488 CG GLN A 31 12.536 9.104 14.868 1.00 10.62 C ATOM 489 CD GLN A 31 11.573 10.289 14.955 1.00 8.77 C ATOM 490 OE1 GLN A 31 10.372 10.113 14.915 1.00 8.56 O ATOM 491 NE2 GLN A 31 12.050 11.498 15.073 1.00 12.39 N ATOM 0 H GLN A 31 12.120 5.942 12.071 1.00 10.34 H new ATOM 0 HA GLN A 31 12.363 6.624 14.987 1.00 9.46 H new ATOM 0 HB2 GLN A 31 13.036 8.329 12.913 1.00 7.25 H new ATOM 0 HB3 GLN A 31 11.337 8.707 13.114 1.00 7.25 H new ATOM 0 HG2 GLN A 31 12.450 8.483 15.759 1.00 10.62 H new ATOM 0 HG3 GLN A 31 13.566 9.458 14.825 1.00 10.62 H new ATOM 0 HE21 GLN A 31 13.058 11.647 15.107 1.00 12.39 H new ATOM 0 HE22 GLN A 31 11.414 12.294 15.132 1.00 12.39 H new ATOM 500 N LEU A 32 9.691 7.516 14.633 1.00 6.80 N ATOM 501 CA LEU A 32 8.212 7.357 14.722 1.00 10.34 C ATOM 502 C LEU A 32 7.529 8.687 14.374 1.00 9.02 C ATOM 503 O LEU A 32 8.183 9.677 14.112 1.00 11.15 O ATOM 504 CB LEU A 32 7.844 6.938 16.145 1.00 10.20 C ATOM 505 CG LEU A 32 8.108 5.440 16.319 1.00 16.38 C ATOM 506 CD1 LEU A 32 9.133 5.227 17.435 1.00 17.42 C ATOM 507 CD2 LEU A 32 6.800 4.732 16.685 1.00 15.89 C ATOM 0 H LEU A 32 10.060 8.373 15.046 1.00 6.80 H new ATOM 0 HA LEU A 32 7.877 6.594 14.019 1.00 10.34 H new ATOM 0 HB2 LEU A 32 8.430 7.508 16.866 1.00 10.20 H new ATOM 0 HB3 LEU A 32 6.795 7.159 16.341 1.00 10.20 H new ATOM 0 HG LEU A 32 8.497 5.029 15.387 1.00 16.38 H new ATOM 0 HD11 LEU A 32 9.320 4.160 17.558 1.00 17.42 H new ATOM 0 HD12 LEU A 32 10.064 5.731 17.175 1.00 17.42 H new ATOM 0 HD13 LEU A 32 8.746 5.637 18.368 1.00 17.42 H new ATOM 0 HD21 LEU A 32 6.986 3.665 16.809 1.00 15.89 H new ATOM 0 HD22 LEU A 32 6.412 5.144 17.617 1.00 15.89 H new ATOM 0 HD23 LEU A 32 6.070 4.883 15.890 1.00 15.89 H new ATOM 519 N CYS A 33 6.218 8.721 14.362 1.00 9.68 N ATOM 520 CA CYS A 33 5.506 9.984 14.026 1.00 8.10 C ATOM 521 C CYS A 33 4.013 9.790 14.289 1.00 6.34 C ATOM 522 O CYS A 33 3.534 8.680 14.401 1.00 8.02 O ATOM 523 CB CYS A 33 5.705 10.352 12.547 1.00 8.88 C ATOM 524 SG CYS A 33 6.438 8.975 11.622 1.00 13.84 S ATOM 0 H CYS A 33 5.614 7.926 14.571 1.00 9.68 H new ATOM 0 HA CYS A 33 5.909 10.788 14.642 1.00 8.10 H new ATOM 0 HB2 CYS A 33 4.746 10.621 12.104 1.00 8.88 H new ATOM 0 HB3 CYS A 33 6.349 11.228 12.471 1.00 8.88 H new ATOM 0 HG CYS A 33 6.395 9.236 10.349 1.00 13.84 H new ATOM 530 N TYR A 34 3.274 10.859 14.392 1.00 7.35 N ATOM 531 CA TYR A 34 1.809 10.735 14.652 1.00 7.08 C ATOM 532 C TYR A 34 1.046 11.284 13.443 1.00 7.71 C ATOM 533 O TYR A 34 1.069 12.469 13.182 1.00 7.80 O ATOM 534 CB TYR A 34 1.437 11.566 15.885 1.00 8.67 C ATOM 535 CG TYR A 34 1.632 10.772 17.162 1.00 9.11 C ATOM 536 CD1 TYR A 34 2.616 9.787 17.253 1.00 13.61 C ATOM 537 CD2 TYR A 34 0.817 11.053 18.270 1.00 12.44 C ATOM 538 CE1 TYR A 34 2.785 9.081 18.449 1.00 17.22 C ATOM 539 CE2 TYR A 34 0.987 10.348 19.460 1.00 16.38 C ATOM 540 CZ TYR A 34 1.968 9.363 19.549 1.00 16.83 C ATOM 541 OH TYR A 34 2.136 8.664 20.727 1.00 21.14 O ATOM 0 H TYR A 34 3.620 11.815 14.308 1.00 7.35 H new ATOM 0 HA TYR A 34 1.554 9.689 14.821 1.00 7.08 H new ATOM 0 HB2 TYR A 34 2.049 12.467 15.917 1.00 8.67 H new ATOM 0 HB3 TYR A 34 0.399 11.888 15.809 1.00 8.67 H new ATOM 0 HD1 TYR A 34 3.245 9.570 16.403 1.00 13.61 H new ATOM 0 HD2 TYR A 34 0.057 11.817 18.200 1.00 12.44 H new ATOM 0 HE1 TYR A 34 3.546 8.318 18.523 1.00 17.22 H new ATOM 0 HE2 TYR A 34 0.359 10.565 20.312 1.00 16.38 H new ATOM 0 HH TYR A 34 1.490 8.983 21.391 1.00 21.14 H new ATOM 551 N VAL A 35 0.376 10.446 12.698 1.00 9.44 N ATOM 552 CA VAL A 35 -0.369 10.956 11.508 1.00 10.66 C ATOM 553 C VAL A 35 -1.861 11.090 11.826 1.00 10.57 C ATOM 554 O VAL A 35 -2.431 10.298 12.551 1.00 8.31 O ATOM 555 CB VAL A 35 -0.183 9.998 10.332 1.00 10.22 C ATOM 556 CG1 VAL A 35 -1.020 10.486 9.148 1.00 7.97 C ATOM 557 CG2 VAL A 35 1.295 9.968 9.935 1.00 9.86 C ATOM 0 H VAL A 35 0.312 9.441 12.858 1.00 9.44 H new ATOM 0 HA VAL A 35 0.025 11.938 11.246 1.00 10.66 H new ATOM 0 HB VAL A 35 -0.504 8.996 10.617 1.00 10.22 H new ATOM 0 HG11 VAL A 35 -0.891 9.806 8.306 1.00 7.97 H new ATOM 0 HG12 VAL A 35 -2.072 10.515 9.433 1.00 7.97 H new ATOM 0 HG13 VAL A 35 -0.695 11.486 8.860 1.00 7.97 H new ATOM 0 HG21 VAL A 35 1.433 9.286 9.096 1.00 9.86 H new ATOM 0 HG22 VAL A 35 1.614 10.969 9.645 1.00 9.86 H new ATOM 0 HG23 VAL A 35 1.892 9.628 10.781 1.00 9.86 H new ATOM 567 N ASP A 36 -2.497 12.090 11.273 1.00 8.58 N ATOM 568 CA ASP A 36 -3.943 12.295 11.511 1.00 11.48 C ATOM 569 C ASP A 36 -4.654 12.368 10.155 1.00 12.38 C ATOM 570 O ASP A 36 -4.358 11.603 9.259 1.00 11.89 O ATOM 571 CB ASP A 36 -4.153 13.597 12.287 1.00 16.17 C ATOM 572 CG ASP A 36 -3.335 13.559 13.579 1.00 17.97 C ATOM 573 OD1 ASP A 36 -2.158 13.244 13.503 1.00 25.89 O ATOM 574 OD2 ASP A 36 -3.898 13.846 14.622 1.00 15.67 O ATOM 0 H ASP A 36 -2.063 12.779 10.659 1.00 8.58 H new ATOM 0 HA ASP A 36 -4.351 11.470 12.095 1.00 11.48 H new ATOM 0 HB2 ASP A 36 -3.851 14.449 11.678 1.00 16.17 H new ATOM 0 HB3 ASP A 36 -5.210 13.729 12.517 1.00 16.17 H new ATOM 579 N LEU A 37 -5.584 13.274 9.984 1.00 13.17 N ATOM 580 CA LEU A 37 -6.288 13.363 8.675 1.00 18.47 C ATOM 581 C LEU A 37 -7.156 12.122 8.498 1.00 21.14 C ATOM 582 O LEU A 37 -8.366 12.197 8.424 1.00 24.24 O ATOM 583 CB LEU A 37 -5.261 13.423 7.549 1.00 15.81 C ATOM 584 CG LEU A 37 -5.895 14.046 6.301 1.00 20.59 C ATOM 585 CD1 LEU A 37 -7.301 13.480 6.080 1.00 14.72 C ATOM 586 CD2 LEU A 37 -5.978 15.564 6.481 1.00 20.01 C ATOM 0 H LEU A 37 -5.882 13.949 10.689 1.00 13.17 H new ATOM 0 HA LEU A 37 -6.908 14.259 8.648 1.00 18.47 H new ATOM 0 HB2 LEU A 37 -4.398 14.011 7.862 1.00 15.81 H new ATOM 0 HB3 LEU A 37 -4.898 12.421 7.322 1.00 15.81 H new ATOM 0 HG LEU A 37 -5.280 13.809 5.433 1.00 20.59 H new ATOM 0 HD11 LEU A 37 -7.739 13.932 5.190 1.00 14.72 H new ATOM 0 HD12 LEU A 37 -7.242 12.400 5.947 1.00 14.72 H new ATOM 0 HD13 LEU A 37 -7.924 13.705 6.945 1.00 14.72 H new ATOM 0 HD21 LEU A 37 -6.429 16.011 5.595 1.00 20.01 H new ATOM 0 HD22 LEU A 37 -6.589 15.794 7.354 1.00 20.01 H new ATOM 0 HD23 LEU A 37 -4.976 15.969 6.622 1.00 20.01 H new ATOM 598 N GLY A 38 -6.541 10.975 8.447 1.00 20.70 N ATOM 599 CA GLY A 38 -7.313 9.718 8.294 1.00 23.91 C ATOM 600 C GLY A 38 -7.696 9.207 9.684 1.00 26.50 C ATOM 601 O GLY A 38 -7.928 8.032 9.889 1.00 31.02 O ATOM 0 H GLY A 38 -5.530 10.856 8.505 1.00 20.70 H new ATOM 0 HA2 GLY A 38 -8.207 9.894 7.696 1.00 23.91 H new ATOM 0 HA3 GLY A 38 -6.719 8.971 7.767 1.00 23.91 H new ATOM 605 N ASN A 39 -7.757 10.093 10.642 1.00 27.64 N ATOM 606 CA ASN A 39 -8.115 9.690 12.027 1.00 30.27 C ATOM 607 C ASN A 39 -8.016 10.919 12.936 1.00 26.79 C ATOM 608 O ASN A 39 -6.951 11.468 13.135 1.00 26.87 O ATOM 609 CB ASN A 39 -7.155 8.600 12.523 1.00 35.62 C ATOM 610 CG ASN A 39 -5.827 8.687 11.764 1.00 41.31 C ATOM 611 OD1 ASN A 39 -5.370 9.764 11.437 1.00 43.23 O ATOM 612 ND2 ASN A 39 -5.187 7.589 11.466 1.00 39.63 N ATOM 0 H ASN A 39 -7.572 11.088 10.520 1.00 27.64 H new ATOM 0 HA ASN A 39 -9.130 9.294 12.044 1.00 30.27 H new ATOM 0 HB2 ASN A 39 -6.980 8.717 13.593 1.00 35.62 H new ATOM 0 HB3 ASN A 39 -7.602 7.617 12.378 1.00 35.62 H new ATOM 0 HD21 ASN A 39 -4.303 7.635 10.959 1.00 39.63 H new ATOM 0 HD22 ASN A 39 -5.571 6.685 11.741 1.00 39.63 H new ATOM 619 N GLU A 40 -9.124 11.360 13.472 1.00 25.15 N ATOM 620 CA GLU A 40 -9.116 12.560 14.357 1.00 23.81 C ATOM 621 C GLU A 40 -7.877 12.546 15.242 1.00 21.12 C ATOM 622 O GLU A 40 -7.017 13.400 15.148 1.00 19.86 O ATOM 623 CB GLU A 40 -10.371 12.557 15.235 1.00 27.22 C ATOM 624 CG GLU A 40 -11.603 12.815 14.366 1.00 34.87 C ATOM 625 CD GLU A 40 -12.661 11.748 14.648 1.00 38.97 C ATOM 626 OE1 GLU A 40 -12.534 11.066 15.652 1.00 42.34 O ATOM 627 OE2 GLU A 40 -13.582 11.630 13.856 1.00 39.54 O ATOM 0 H GLU A 40 -10.041 10.936 13.333 1.00 25.15 H new ATOM 0 HA GLU A 40 -9.104 13.458 13.740 1.00 23.81 H new ATOM 0 HB2 GLU A 40 -10.468 11.599 15.746 1.00 27.22 H new ATOM 0 HB3 GLU A 40 -10.290 13.323 16.006 1.00 27.22 H new ATOM 0 HG2 GLU A 40 -12.007 13.806 14.574 1.00 34.87 H new ATOM 0 HG3 GLU A 40 -11.327 12.798 13.312 1.00 34.87 H new ATOM 634 N HIS A 41 -7.780 11.577 16.091 1.00 5.33 N ATOM 635 CA HIS A 41 -6.594 11.484 16.987 1.00 4.91 C ATOM 636 C HIS A 41 -5.365 11.147 16.142 1.00 4.10 C ATOM 637 O HIS A 41 -5.496 10.700 15.020 1.00 3.31 O ATOM 638 CB HIS A 41 -6.820 10.383 18.025 1.00 5.24 C ATOM 639 CG HIS A 41 -7.565 10.948 19.203 1.00 5.47 C ATOM 640 ND1 HIS A 41 -8.625 11.829 19.053 1.00 5.85 N ATOM 641 CD2 HIS A 41 -7.415 10.769 20.555 1.00 6.53 C ATOM 642 CE1 HIS A 41 -9.068 12.144 20.284 1.00 7.30 C ATOM 643 NE2 HIS A 41 -8.365 11.525 21.236 1.00 8.02 N ATOM 0 H HIS A 41 -8.472 10.837 16.210 1.00 5.33 H new ATOM 0 HA HIS A 41 -6.442 12.433 17.501 1.00 4.91 H new ATOM 0 HB2 HIS A 41 -7.386 9.563 17.583 1.00 5.24 H new ATOM 0 HB3 HIS A 41 -5.864 9.972 18.349 1.00 5.24 H new ATOM 0 HD2 HIS A 41 -6.673 10.137 21.020 1.00 6.53 H new ATOM 0 HE1 HIS A 41 -9.891 12.815 20.478 1.00 7.30 H new ATOM 0 HE2 HIS A 41 -8.496 11.592 22.245 1.00 8.02 H new ATOM 651 N PRO A 42 -4.206 11.370 16.701 1.00 15.11 N ATOM 652 CA PRO A 42 -2.940 11.095 16.010 1.00 16.08 C ATOM 653 C PRO A 42 -2.633 9.604 16.043 1.00 17.92 C ATOM 654 O PRO A 42 -2.980 8.907 16.977 1.00 17.13 O ATOM 655 CB PRO A 42 -1.902 11.853 16.828 1.00 16.41 C ATOM 656 CG PRO A 42 -2.516 12.047 18.234 1.00 13.79 C ATOM 657 CD PRO A 42 -4.044 11.911 18.067 1.00 16.28 C ATOM 0 HA PRO A 42 -2.961 11.395 14.962 1.00 16.08 H new ATOM 0 HB2 PRO A 42 -0.968 11.294 16.885 1.00 16.41 H new ATOM 0 HB3 PRO A 42 -1.671 12.814 16.369 1.00 16.41 H new ATOM 0 HG2 PRO A 42 -2.134 11.301 18.931 1.00 13.79 H new ATOM 0 HG3 PRO A 42 -2.256 13.025 18.640 1.00 13.79 H new ATOM 0 HD2 PRO A 42 -4.470 11.242 18.815 1.00 16.28 H new ATOM 0 HD3 PRO A 42 -4.545 12.873 18.178 1.00 16.28 H new ATOM 665 N VAL A 43 -1.976 9.109 15.041 1.00 16.29 N ATOM 666 CA VAL A 43 -1.638 7.670 15.027 1.00 14.28 C ATOM 667 C VAL A 43 -0.125 7.510 14.975 1.00 9.00 C ATOM 668 O VAL A 43 0.532 7.955 14.056 1.00 7.99 O ATOM 669 CB VAL A 43 -2.274 7.006 13.809 1.00 17.96 C ATOM 670 CG1 VAL A 43 -3.783 7.262 13.815 1.00 18.07 C ATOM 671 CG2 VAL A 43 -1.661 7.591 12.534 1.00 20.57 C ATOM 0 H VAL A 43 -1.658 9.640 14.230 1.00 16.29 H new ATOM 0 HA VAL A 43 -2.020 7.194 15.930 1.00 14.28 H new ATOM 0 HB VAL A 43 -2.090 5.932 13.843 1.00 17.96 H new ATOM 0 HG11 VAL A 43 -4.236 6.787 12.945 1.00 18.07 H new ATOM 0 HG12 VAL A 43 -4.219 6.846 14.723 1.00 18.07 H new ATOM 0 HG13 VAL A 43 -3.970 8.335 13.781 1.00 18.07 H new ATOM 0 HG21 VAL A 43 -2.114 7.118 11.662 1.00 20.57 H new ATOM 0 HG22 VAL A 43 -1.845 8.665 12.501 1.00 20.57 H new ATOM 0 HG23 VAL A 43 -0.587 7.407 12.529 1.00 20.57 H new ATOM 681 N LEU A 44 0.428 6.878 15.966 1.00 10.19 N ATOM 682 CA LEU A 44 1.894 6.682 16.001 1.00 11.55 C ATOM 683 C LEU A 44 2.298 5.654 14.945 1.00 10.61 C ATOM 684 O LEU A 44 1.949 4.493 15.025 1.00 13.49 O ATOM 685 CB LEU A 44 2.286 6.189 17.387 1.00 10.60 C ATOM 686 CG LEU A 44 3.778 5.876 17.417 1.00 13.48 C ATOM 687 CD1 LEU A 44 4.561 7.058 16.847 1.00 15.65 C ATOM 688 CD2 LEU A 44 4.212 5.624 18.862 1.00 20.21 C ATOM 0 H LEU A 44 -0.079 6.486 16.759 1.00 10.19 H new ATOM 0 HA LEU A 44 2.404 7.622 15.788 1.00 11.55 H new ATOM 0 HB2 LEU A 44 2.048 6.946 18.134 1.00 10.60 H new ATOM 0 HB3 LEU A 44 1.712 5.298 17.643 1.00 10.60 H new ATOM 0 HG LEU A 44 3.977 4.989 16.816 1.00 13.48 H new ATOM 0 HD11 LEU A 44 5.627 6.833 16.869 1.00 15.65 H new ATOM 0 HD12 LEU A 44 4.250 7.239 15.818 1.00 15.65 H new ATOM 0 HD13 LEU A 44 4.365 7.947 17.447 1.00 15.65 H new ATOM 0 HD21 LEU A 44 5.278 5.400 18.888 1.00 20.21 H new ATOM 0 HD22 LEU A 44 4.013 6.512 19.462 1.00 20.21 H new ATOM 0 HD23 LEU A 44 3.654 4.780 19.268 1.00 20.21 H new ATOM 700 N VAL A 45 3.029 6.077 13.954 1.00 10.81 N ATOM 701 CA VAL A 45 3.458 5.133 12.886 1.00 9.29 C ATOM 702 C VAL A 45 4.988 5.123 12.803 1.00 9.95 C ATOM 703 O VAL A 45 5.652 6.002 13.316 1.00 9.36 O ATOM 704 CB VAL A 45 2.849 5.573 11.548 1.00 4.64 C ATOM 705 CG1 VAL A 45 3.664 6.723 10.950 1.00 7.95 C ATOM 706 CG2 VAL A 45 2.842 4.390 10.576 1.00 10.20 C ATOM 0 H VAL A 45 3.349 7.038 13.837 1.00 10.81 H new ATOM 0 HA VAL A 45 3.113 4.125 13.116 1.00 9.29 H new ATOM 0 HB VAL A 45 1.828 5.914 11.718 1.00 4.64 H new ATOM 0 HG11 VAL A 45 3.222 7.027 10.001 1.00 7.95 H new ATOM 0 HG12 VAL A 45 3.661 7.568 11.639 1.00 7.95 H new ATOM 0 HG13 VAL A 45 4.690 6.394 10.784 1.00 7.95 H new ATOM 0 HG21 VAL A 45 2.409 4.703 9.626 1.00 10.20 H new ATOM 0 HG22 VAL A 45 3.864 4.046 10.414 1.00 10.20 H new ATOM 0 HG23 VAL A 45 2.248 3.578 10.995 1.00 10.20 H new ATOM 716 N LYS A 46 5.552 4.128 12.176 1.00 10.76 N ATOM 717 CA LYS A 46 7.039 4.053 12.078 1.00 12.81 C ATOM 718 C LYS A 46 7.554 5.036 11.022 1.00 13.35 C ATOM 719 O LYS A 46 6.793 5.655 10.304 1.00 12.90 O ATOM 720 CB LYS A 46 7.451 2.631 11.690 1.00 17.04 C ATOM 721 CG LYS A 46 8.494 2.111 12.682 1.00 26.60 C ATOM 722 CD LYS A 46 7.910 2.132 14.096 1.00 33.77 C ATOM 723 CE LYS A 46 7.812 0.702 14.631 1.00 34.48 C ATOM 724 NZ LYS A 46 7.097 0.709 15.939 1.00 36.74 N ATOM 0 H LYS A 46 5.048 3.363 11.727 1.00 10.76 H new ATOM 0 HA LYS A 46 7.470 4.314 13.044 1.00 12.81 H new ATOM 0 HB2 LYS A 46 6.579 1.977 11.687 1.00 17.04 H new ATOM 0 HB3 LYS A 46 7.859 2.623 10.679 1.00 17.04 H new ATOM 0 HG2 LYS A 46 8.791 1.097 12.415 1.00 26.60 H new ATOM 0 HG3 LYS A 46 9.392 2.728 12.639 1.00 26.60 H new ATOM 0 HD2 LYS A 46 8.539 2.734 14.751 1.00 33.77 H new ATOM 0 HD3 LYS A 46 6.924 2.596 14.086 1.00 33.77 H new ATOM 0 HE2 LYS A 46 7.282 0.071 13.918 1.00 34.48 H new ATOM 0 HE3 LYS A 46 8.809 0.278 14.752 1.00 34.48 H new ATOM 0 HZ1 LYS A 46 7.030 -0.263 16.303 1.00 36.74 H new ATOM 0 HZ2 LYS A 46 7.621 1.298 16.618 1.00 36.74 H new ATOM 0 HZ3 LYS A 46 6.141 1.097 15.810 1.00 36.74 H new ATOM 738 N ILE A 47 8.849 5.178 10.928 1.00 13.96 N ATOM 739 CA ILE A 47 9.444 6.109 9.932 1.00 16.93 C ATOM 740 C ILE A 47 10.934 5.770 9.778 1.00 16.52 C ATOM 741 O ILE A 47 11.647 5.628 10.752 1.00 17.67 O ATOM 742 CB ILE A 47 9.259 7.559 10.427 1.00 19.74 C ATOM 743 CG1 ILE A 47 8.915 8.471 9.249 1.00 19.39 C ATOM 744 CG2 ILE A 47 10.535 8.072 11.098 1.00 18.08 C ATOM 745 CD1 ILE A 47 9.984 8.341 8.163 1.00 18.26 C ATOM 0 H ILE A 47 9.526 4.681 11.507 1.00 13.96 H new ATOM 0 HA ILE A 47 8.954 6.008 8.964 1.00 16.93 H new ATOM 0 HB ILE A 47 8.447 7.568 11.154 1.00 19.74 H new ATOM 0 HG12 ILE A 47 7.938 8.205 8.844 1.00 19.39 H new ATOM 0 HG13 ILE A 47 8.849 9.506 9.585 1.00 19.39 H new ATOM 0 HG21 ILE A 47 10.381 9.096 11.439 1.00 18.08 H new ATOM 0 HG22 ILE A 47 10.777 7.438 11.951 1.00 18.08 H new ATOM 0 HG23 ILE A 47 11.357 8.048 10.383 1.00 18.08 H new ATOM 0 HD11 ILE A 47 9.734 8.993 7.326 1.00 18.26 H new ATOM 0 HD12 ILE A 47 10.953 8.629 8.570 1.00 18.26 H new ATOM 0 HD13 ILE A 47 10.028 7.308 7.818 1.00 18.26 H new ATOM 757 N THR A 48 11.413 5.638 8.573 1.00 16.86 N ATOM 758 CA THR A 48 12.855 5.309 8.387 1.00 16.59 C ATOM 759 C THR A 48 13.702 6.551 8.671 1.00 19.04 C ATOM 760 O THR A 48 13.246 7.669 8.544 1.00 22.56 O ATOM 761 CB THR A 48 13.093 4.840 6.951 1.00 16.30 C ATOM 762 OG1 THR A 48 12.031 3.984 6.552 1.00 17.90 O ATOM 763 CG2 THR A 48 14.419 4.082 6.872 1.00 16.02 C ATOM 0 H THR A 48 10.874 5.743 7.714 1.00 16.86 H new ATOM 0 HA THR A 48 13.138 4.513 9.076 1.00 16.59 H new ATOM 0 HB THR A 48 13.132 5.704 6.288 1.00 16.30 H new ATOM 0 HG1 THR A 48 12.257 3.057 6.775 1.00 17.90 H new ATOM 0 HG21 THR A 48 14.587 3.748 5.848 1.00 16.02 H new ATOM 0 HG22 THR A 48 15.233 4.740 7.178 1.00 16.02 H new ATOM 0 HG23 THR A 48 14.384 3.217 7.534 1.00 16.02 H new ATOM 771 N LEU A 49 14.933 6.361 9.056 1.00 18.35 N ATOM 772 CA LEU A 49 15.816 7.522 9.354 1.00 18.82 C ATOM 773 C LEU A 49 17.070 7.433 8.480 1.00 20.06 C ATOM 774 O LEU A 49 17.814 6.475 8.543 1.00 18.35 O ATOM 775 CB LEU A 49 16.210 7.499 10.837 1.00 18.79 C ATOM 776 CG LEU A 49 16.206 8.920 11.388 1.00 18.24 C ATOM 777 CD1 LEU A 49 17.115 9.809 10.535 1.00 20.41 C ATOM 778 CD2 LEU A 49 14.777 9.471 11.359 1.00 14.50 C ATOM 0 H LEU A 49 15.367 5.446 9.178 1.00 18.35 H new ATOM 0 HA LEU A 49 15.290 8.452 9.141 1.00 18.82 H new ATOM 0 HB2 LEU A 49 15.513 6.878 11.399 1.00 18.79 H new ATOM 0 HB3 LEU A 49 17.199 7.055 10.954 1.00 18.79 H new ATOM 0 HG LEU A 49 16.574 8.911 12.414 1.00 18.24 H new ATOM 0 HD11 LEU A 49 17.109 10.824 10.933 1.00 20.41 H new ATOM 0 HD12 LEU A 49 18.132 9.417 10.557 1.00 20.41 H new ATOM 0 HD13 LEU A 49 16.752 9.820 9.507 1.00 20.41 H new ATOM 0 HD21 LEU A 49 14.771 10.487 11.753 1.00 14.50 H new ATOM 0 HD22 LEU A 49 14.410 9.477 10.333 1.00 14.50 H new ATOM 0 HD23 LEU A 49 14.132 8.841 11.971 1.00 14.50 H new ATOM 790 N ASP A 50 17.302 8.420 7.659 1.00 22.62 N ATOM 791 CA ASP A 50 18.499 8.389 6.772 1.00 27.04 C ATOM 792 C ASP A 50 19.760 8.165 7.608 1.00 27.73 C ATOM 793 O ASP A 50 19.931 8.745 8.661 1.00 26.65 O ATOM 794 CB ASP A 50 18.613 9.720 6.025 1.00 29.11 C ATOM 795 CG ASP A 50 18.219 9.519 4.560 1.00 30.37 C ATOM 796 OD1 ASP A 50 17.145 8.991 4.322 1.00 33.99 O ATOM 797 OD2 ASP A 50 18.999 9.896 3.701 1.00 30.76 O ATOM 0 H ASP A 50 16.714 9.248 7.564 1.00 22.62 H new ATOM 0 HA ASP A 50 18.394 7.574 6.056 1.00 27.04 H new ATOM 0 HB2 ASP A 50 17.966 10.465 6.488 1.00 29.11 H new ATOM 0 HB3 ASP A 50 19.633 10.099 6.090 1.00 29.11 H new ATOM 802 N GLU A 51 20.647 7.327 7.142 1.00 31.16 N ATOM 803 CA GLU A 51 21.899 7.067 7.904 1.00 34.22 C ATOM 804 C GLU A 51 22.639 8.386 8.122 1.00 34.98 C ATOM 805 O GLU A 51 23.039 9.047 7.184 1.00 34.19 O ATOM 806 CB GLU A 51 22.789 6.108 7.110 1.00 38.24 C ATOM 807 CG GLU A 51 23.871 5.537 8.028 1.00 46.84 C ATOM 808 CD GLU A 51 25.056 5.061 7.185 1.00 51.38 C ATOM 809 OE1 GLU A 51 25.183 5.523 6.063 1.00 54.92 O ATOM 810 OE2 GLU A 51 25.816 4.242 7.676 1.00 53.83 O ATOM 0 H GLU A 51 20.557 6.812 6.266 1.00 31.16 H new ATOM 0 HA GLU A 51 21.655 6.621 8.868 1.00 34.22 H new ATOM 0 HB2 GLU A 51 22.189 5.300 6.692 1.00 38.24 H new ATOM 0 HB3 GLU A 51 23.248 6.631 6.271 1.00 38.24 H new ATOM 0 HG2 GLU A 51 24.198 6.296 8.738 1.00 46.84 H new ATOM 0 HG3 GLU A 51 23.469 4.708 8.610 1.00 46.84 H new ATOM 817 N GLY A 52 22.822 8.779 9.352 1.00 34.53 N ATOM 818 CA GLY A 52 23.533 10.058 9.625 1.00 34.93 C ATOM 819 C GLY A 52 22.513 11.194 9.722 1.00 36.10 C ATOM 820 O GLY A 52 22.824 12.285 10.155 1.00 35.97 O ATOM 0 H GLY A 52 22.510 8.270 10.179 1.00 34.53 H new ATOM 0 HA2 GLY A 52 24.099 9.982 10.554 1.00 34.93 H new ATOM 0 HA3 GLY A 52 24.250 10.265 8.831 1.00 34.93 H new ATOM 824 N GLN A 53 21.294 10.945 9.324 1.00 36.52 N ATOM 825 CA GLN A 53 20.257 12.010 9.397 1.00 35.40 C ATOM 826 C GLN A 53 19.733 12.111 10.832 1.00 31.02 C ATOM 827 O GLN A 53 19.690 11.128 11.545 1.00 29.05 O ATOM 828 CB GLN A 53 19.101 11.661 8.456 1.00 41.20 C ATOM 829 CG GLN A 53 19.114 12.612 7.257 1.00 47.61 C ATOM 830 CD GLN A 53 17.680 12.864 6.789 1.00 53.32 C ATOM 831 OE1 GLN A 53 16.746 12.735 7.556 1.00 53.91 O ATOM 832 NE2 GLN A 53 17.464 13.222 5.552 1.00 54.76 N ATOM 0 H GLN A 53 20.974 10.051 8.952 1.00 36.52 H new ATOM 0 HA GLN A 53 20.692 12.964 9.100 1.00 35.40 H new ATOM 0 HB2 GLN A 53 19.193 10.629 8.116 1.00 41.20 H new ATOM 0 HB3 GLN A 53 18.151 11.739 8.985 1.00 41.20 H new ATOM 0 HG2 GLN A 53 19.589 13.554 7.532 1.00 47.61 H new ATOM 0 HG3 GLN A 53 19.702 12.183 6.446 1.00 47.61 H new ATOM 0 HE21 GLN A 53 18.248 13.330 4.908 1.00 54.76 H new ATOM 0 HE22 GLN A 53 16.512 13.393 5.230 1.00 54.76 H new ATOM 841 N PRO A 54 19.349 13.302 11.212 1.00 27.43 N ATOM 842 CA PRO A 54 18.819 13.572 12.558 1.00 23.44 C ATOM 843 C PRO A 54 17.371 13.088 12.666 1.00 20.14 C ATOM 844 O PRO A 54 16.511 13.512 11.920 1.00 21.64 O ATOM 845 CB PRO A 54 18.903 15.093 12.682 1.00 24.39 C ATOM 846 CG PRO A 54 18.939 15.643 11.241 1.00 27.18 C ATOM 847 CD PRO A 54 19.406 14.489 10.336 1.00 28.37 C ATOM 0 HA PRO A 54 19.368 13.059 13.348 1.00 23.44 H new ATOM 0 HB2 PRO A 54 18.045 15.487 13.227 1.00 24.39 H new ATOM 0 HB3 PRO A 54 19.795 15.390 13.234 1.00 24.39 H new ATOM 0 HG2 PRO A 54 17.954 15.998 10.938 1.00 27.18 H new ATOM 0 HG3 PRO A 54 19.620 16.491 11.168 1.00 27.18 H new ATOM 0 HD2 PRO A 54 18.757 14.375 9.467 1.00 28.37 H new ATOM 0 HD3 PRO A 54 20.415 14.660 9.960 1.00 28.37 H new ATOM 855 N ALA A 55 17.103 12.195 13.582 1.00 17.21 N ATOM 856 CA ALA A 55 15.721 11.667 13.745 1.00 15.58 C ATOM 857 C ALA A 55 14.691 12.778 13.529 1.00 16.41 C ATOM 858 O ALA A 55 14.914 13.923 13.869 1.00 13.65 O ATOM 859 CB ALA A 55 15.569 11.105 15.156 1.00 13.98 C ATOM 0 H ALA A 55 17.790 11.807 14.229 1.00 17.21 H new ATOM 0 HA ALA A 55 15.550 10.885 13.005 1.00 15.58 H new ATOM 0 HB1 ALA A 55 14.559 10.715 15.286 1.00 13.98 H new ATOM 0 HB2 ALA A 55 16.290 10.302 15.307 1.00 13.98 H new ATOM 0 HB3 ALA A 55 15.749 11.896 15.884 1.00 13.98 H new ATOM 865 N TYR A 56 13.559 12.442 12.969 1.00 15.93 N ATOM 866 CA TYR A 56 12.505 13.468 12.732 1.00 14.61 C ATOM 867 C TYR A 56 12.376 14.353 13.972 1.00 15.51 C ATOM 868 O TYR A 56 11.840 13.948 14.983 1.00 17.19 O ATOM 869 CB TYR A 56 11.174 12.768 12.441 1.00 12.92 C ATOM 870 CG TYR A 56 11.255 12.111 11.079 1.00 11.75 C ATOM 871 CD1 TYR A 56 11.869 10.859 10.942 1.00 7.14 C ATOM 872 CD2 TYR A 56 10.739 12.762 9.956 1.00 12.42 C ATOM 873 CE1 TYR A 56 11.963 10.261 9.680 1.00 7.90 C ATOM 874 CE2 TYR A 56 10.831 12.164 8.696 1.00 11.47 C ATOM 875 CZ TYR A 56 11.443 10.914 8.556 1.00 10.29 C ATOM 876 OH TYR A 56 11.538 10.327 7.311 1.00 12.03 O ATOM 0 H TYR A 56 13.320 11.498 12.665 1.00 15.93 H new ATOM 0 HA TYR A 56 12.774 14.089 11.877 1.00 14.61 H new ATOM 0 HB2 TYR A 56 10.964 12.022 13.208 1.00 12.92 H new ATOM 0 HB3 TYR A 56 10.356 13.488 12.465 1.00 12.92 H new ATOM 0 HD1 TYR A 56 12.269 10.356 11.810 1.00 7.14 H new ATOM 0 HD2 TYR A 56 10.268 13.728 10.061 1.00 12.42 H new ATOM 0 HE1 TYR A 56 12.436 9.296 9.573 1.00 7.90 H new ATOM 0 HE2 TYR A 56 10.429 12.668 7.829 1.00 11.47 H new ATOM 0 HH TYR A 56 11.126 10.912 6.641 1.00 12.03 H new ATOM 886 N ALA A 57 12.874 15.557 13.905 1.00 13.38 N ATOM 887 CA ALA A 57 12.791 16.467 15.082 1.00 14.95 C ATOM 888 C ALA A 57 11.327 16.647 15.492 1.00 15.46 C ATOM 889 O ALA A 57 10.434 16.145 14.838 1.00 17.82 O ATOM 890 CB ALA A 57 13.388 17.828 14.717 1.00 14.98 C ATOM 0 H ALA A 57 13.335 15.950 13.085 1.00 13.38 H new ATOM 0 HA ALA A 57 13.349 16.034 15.913 1.00 14.95 H new ATOM 0 HB1 ALA A 57 13.328 18.494 15.577 1.00 14.98 H new ATOM 0 HB2 ALA A 57 14.431 17.702 14.428 1.00 14.98 H new ATOM 0 HB3 ALA A 57 12.831 18.258 13.885 1.00 14.98 H new ATOM 896 N PRO A 58 11.128 17.364 16.569 1.00 15.20 N ATOM 897 CA PRO A 58 9.783 17.638 17.104 1.00 16.55 C ATOM 898 C PRO A 58 9.105 18.748 16.297 1.00 16.75 C ATOM 899 O PRO A 58 9.548 19.880 16.287 1.00 17.28 O ATOM 900 CB PRO A 58 10.056 18.094 18.540 1.00 15.65 C ATOM 901 CG PRO A 58 11.520 18.595 18.570 1.00 14.16 C ATOM 902 CD PRO A 58 12.225 17.967 17.353 1.00 13.96 C ATOM 0 HA PRO A 58 9.116 16.777 17.055 1.00 16.55 H new ATOM 0 HB2 PRO A 58 9.368 18.887 18.833 1.00 15.65 H new ATOM 0 HB3 PRO A 58 9.912 17.273 19.242 1.00 15.65 H new ATOM 0 HG2 PRO A 58 11.558 19.683 18.521 1.00 14.16 H new ATOM 0 HG3 PRO A 58 12.011 18.300 19.497 1.00 14.16 H new ATOM 0 HD2 PRO A 58 12.763 18.717 16.773 1.00 13.96 H new ATOM 0 HD3 PRO A 58 12.955 17.217 17.659 1.00 13.96 H new ATOM 910 N GLY A 59 8.036 18.434 15.618 1.00 17.22 N ATOM 911 CA GLY A 59 7.334 19.472 14.811 1.00 15.08 C ATOM 912 C GLY A 59 6.224 18.819 13.986 1.00 14.96 C ATOM 913 O GLY A 59 6.065 17.616 13.989 1.00 13.79 O ATOM 0 H GLY A 59 7.618 17.504 15.587 1.00 17.22 H new ATOM 0 HA2 GLY A 59 6.913 20.233 15.467 1.00 15.08 H new ATOM 0 HA3 GLY A 59 8.042 19.975 14.152 1.00 15.08 H new ATOM 917 N LEU A 60 5.458 19.602 13.273 1.00 15.83 N ATOM 918 CA LEU A 60 4.367 19.024 12.439 1.00 14.53 C ATOM 919 C LEU A 60 4.986 18.338 11.224 1.00 14.15 C ATOM 920 O LEU A 60 5.986 18.784 10.701 1.00 13.27 O ATOM 921 CB LEU A 60 3.441 20.147 11.965 1.00 15.84 C ATOM 922 CG LEU A 60 2.229 20.238 12.889 1.00 16.91 C ATOM 923 CD1 LEU A 60 2.596 21.048 14.135 1.00 19.57 C ATOM 924 CD2 LEU A 60 1.078 20.927 12.151 1.00 15.01 C ATOM 0 H LEU A 60 5.542 20.618 13.233 1.00 15.83 H new ATOM 0 HA LEU A 60 3.796 18.303 13.024 1.00 14.53 H new ATOM 0 HB2 LEU A 60 3.978 21.096 11.958 1.00 15.84 H new ATOM 0 HB3 LEU A 60 3.117 19.957 10.942 1.00 15.84 H new ATOM 0 HG LEU A 60 1.922 19.236 13.187 1.00 16.91 H new ATOM 0 HD11 LEU A 60 1.731 21.113 14.795 1.00 19.57 H new ATOM 0 HD12 LEU A 60 3.416 20.557 14.659 1.00 19.57 H new ATOM 0 HD13 LEU A 60 2.903 22.051 13.839 1.00 19.57 H new ATOM 0 HD21 LEU A 60 0.212 20.993 12.809 1.00 15.01 H new ATOM 0 HD22 LEU A 60 1.385 21.930 11.854 1.00 15.01 H new ATOM 0 HD23 LEU A 60 0.817 20.349 11.264 1.00 15.01 H new ATOM 936 N TYR A 61 4.412 17.258 10.767 1.00 11.12 N ATOM 937 CA TYR A 61 4.994 16.567 9.589 1.00 9.57 C ATOM 938 C TYR A 61 3.926 16.237 8.568 1.00 11.76 C ATOM 939 O TYR A 61 2.747 16.204 8.848 1.00 11.26 O ATOM 940 CB TYR A 61 5.676 15.273 10.025 1.00 9.42 C ATOM 941 CG TYR A 61 7.025 15.618 10.583 1.00 10.29 C ATOM 942 CD1 TYR A 61 7.132 16.107 11.886 1.00 10.68 C ATOM 943 CD2 TYR A 61 8.164 15.481 9.785 1.00 10.26 C ATOM 944 CE1 TYR A 61 8.383 16.456 12.397 1.00 13.03 C ATOM 945 CE2 TYR A 61 9.415 15.833 10.293 1.00 13.99 C ATOM 946 CZ TYR A 61 9.523 16.320 11.598 1.00 11.06 C ATOM 947 OH TYR A 61 10.762 16.658 12.106 1.00 14.61 O ATOM 0 H TYR A 61 3.572 16.830 11.157 1.00 11.12 H new ATOM 0 HA TYR A 61 5.723 17.239 9.136 1.00 9.57 H new ATOM 0 HB2 TYR A 61 5.074 14.761 10.775 1.00 9.42 H new ATOM 0 HB3 TYR A 61 5.777 14.593 9.179 1.00 9.42 H new ATOM 0 HD1 TYR A 61 6.248 16.215 12.498 1.00 10.68 H new ATOM 0 HD2 TYR A 61 8.076 15.103 8.777 1.00 10.26 H new ATOM 0 HE1 TYR A 61 8.471 16.830 13.406 1.00 13.03 H new ATOM 0 HE2 TYR A 61 10.297 15.729 9.679 1.00 13.99 H new ATOM 0 HH TYR A 61 10.741 16.600 13.084 1.00 14.61 H new ATOM 957 N THR A 62 4.365 15.960 7.387 1.00 12.22 N ATOM 958 CA THR A 62 3.446 15.581 6.302 1.00 14.26 C ATOM 959 C THR A 62 4.159 14.511 5.509 1.00 15.40 C ATOM 960 O THR A 62 5.258 14.709 5.031 1.00 16.24 O ATOM 961 CB THR A 62 3.148 16.780 5.414 1.00 15.07 C ATOM 962 OG1 THR A 62 4.322 17.148 4.702 1.00 18.36 O ATOM 963 CG2 THR A 62 2.685 17.944 6.286 1.00 11.61 C ATOM 0 H THR A 62 5.350 15.981 7.122 1.00 12.22 H new ATOM 0 HA THR A 62 2.494 15.224 6.695 1.00 14.26 H new ATOM 0 HB THR A 62 2.364 16.525 4.701 1.00 15.07 H new ATOM 0 HG1 THR A 62 4.797 16.340 4.415 1.00 18.36 H new ATOM 0 HG21 THR A 62 2.470 18.807 5.656 1.00 11.61 H new ATOM 0 HG22 THR A 62 1.784 17.657 6.828 1.00 11.61 H new ATOM 0 HG23 THR A 62 3.470 18.201 6.997 1.00 11.61 H new ATOM 971 N VAL A 63 3.579 13.368 5.393 1.00 14.65 N ATOM 972 CA VAL A 63 4.280 12.298 4.661 1.00 15.17 C ATOM 973 C VAL A 63 4.642 12.803 3.270 1.00 14.24 C ATOM 974 O VAL A 63 4.130 13.802 2.805 1.00 19.13 O ATOM 975 CB VAL A 63 3.421 11.048 4.584 1.00 15.23 C ATOM 976 CG1 VAL A 63 4.341 9.844 4.404 1.00 14.85 C ATOM 977 CG2 VAL A 63 2.628 10.891 5.887 1.00 18.64 C ATOM 0 H VAL A 63 2.661 13.126 5.767 1.00 14.65 H new ATOM 0 HA VAL A 63 5.194 12.031 5.192 1.00 15.17 H new ATOM 0 HB VAL A 63 2.725 11.121 3.748 1.00 15.23 H new ATOM 0 HG11 VAL A 63 3.743 8.935 4.346 1.00 14.85 H new ATOM 0 HG12 VAL A 63 4.916 9.959 3.485 1.00 14.85 H new ATOM 0 HG13 VAL A 63 5.023 9.777 5.252 1.00 14.85 H new ATOM 0 HG21 VAL A 63 2.011 9.994 5.832 1.00 18.64 H new ATOM 0 HG22 VAL A 63 3.319 10.805 6.725 1.00 18.64 H new ATOM 0 HG23 VAL A 63 1.989 11.762 6.031 1.00 18.64 H new ATOM 987 N HIS A 64 5.538 12.134 2.615 1.00 13.31 N ATOM 988 CA HIS A 64 5.962 12.584 1.263 1.00 10.78 C ATOM 989 C HIS A 64 5.736 11.454 0.258 1.00 14.19 C ATOM 990 O HIS A 64 6.134 10.324 0.483 1.00 11.59 O ATOM 991 CB HIS A 64 7.449 12.952 1.299 1.00 11.86 C ATOM 992 CG HIS A 64 7.751 13.977 0.238 1.00 13.39 C ATOM 993 ND1 HIS A 64 7.198 13.917 -1.030 1.00 17.90 N ATOM 994 CD2 HIS A 64 8.568 15.081 0.237 1.00 17.63 C ATOM 995 CE1 HIS A 64 7.686 14.947 -1.738 1.00 19.32 C ATOM 996 NE2 HIS A 64 8.526 15.692 -1.014 1.00 20.65 N ATOM 0 H HIS A 64 5.999 11.291 2.956 1.00 13.31 H new ATOM 0 HA HIS A 64 5.378 13.455 0.964 1.00 10.78 H new ATOM 0 HB2 HIS A 64 7.711 13.345 2.281 1.00 11.86 H new ATOM 0 HB3 HIS A 64 8.057 12.061 1.139 1.00 11.86 H new ATOM 0 HD2 HIS A 64 9.153 15.423 1.078 1.00 17.63 H new ATOM 0 HE1 HIS A 64 7.431 15.149 -2.768 1.00 19.32 H new ATOM 0 HE2 HIS A 64 9.028 16.528 -1.313 1.00 20.65 H new ATOM 1004 N LEU A 65 5.107 11.749 -0.852 1.00 12.93 N ATOM 1005 CA LEU A 65 4.859 10.696 -1.872 1.00 14.44 C ATOM 1006 C LEU A 65 6.163 10.360 -2.600 1.00 12.66 C ATOM 1007 O LEU A 65 6.183 9.540 -3.496 1.00 10.20 O ATOM 1008 CB LEU A 65 3.817 11.186 -2.879 1.00 14.94 C ATOM 1009 CG LEU A 65 4.453 12.185 -3.823 1.00 19.65 C ATOM 1010 CD1 LEU A 65 4.466 11.599 -5.235 1.00 15.75 C ATOM 1011 CD2 LEU A 65 3.653 13.485 -3.807 1.00 19.03 C ATOM 0 H LEU A 65 4.756 12.676 -1.092 1.00 12.93 H new ATOM 0 HA LEU A 65 4.485 9.800 -1.376 1.00 14.44 H new ATOM 0 HB2 LEU A 65 3.416 10.343 -3.442 1.00 14.94 H new ATOM 0 HB3 LEU A 65 2.979 11.647 -2.356 1.00 14.94 H new ATOM 0 HG LEU A 65 5.475 12.394 -3.506 1.00 19.65 H new ATOM 0 HD11 LEU A 65 4.923 12.313 -5.921 1.00 15.75 H new ATOM 0 HD12 LEU A 65 5.041 10.673 -5.239 1.00 15.75 H new ATOM 0 HD13 LEU A 65 3.444 11.393 -5.553 1.00 15.75 H new ATOM 0 HD21 LEU A 65 4.112 14.203 -4.487 1.00 19.03 H new ATOM 0 HD22 LEU A 65 2.630 13.286 -4.126 1.00 19.03 H new ATOM 0 HD23 LEU A 65 3.645 13.895 -2.797 1.00 19.03 H new ATOM 1023 N SER A 66 7.261 10.960 -2.213 1.00 13.51 N ATOM 1024 CA SER A 66 8.541 10.625 -2.883 1.00 10.39 C ATOM 1025 C SER A 66 8.736 9.117 -2.754 1.00 8.56 C ATOM 1026 O SER A 66 9.491 8.501 -3.480 1.00 11.70 O ATOM 1027 CB SER A 66 9.692 11.357 -2.191 1.00 12.88 C ATOM 1028 OG SER A 66 10.889 10.607 -2.352 1.00 14.72 O ATOM 0 H SER A 66 7.321 11.658 -1.471 1.00 13.51 H new ATOM 0 HA SER A 66 8.523 10.926 -3.931 1.00 10.39 H new ATOM 0 HB2 SER A 66 9.813 12.353 -2.617 1.00 12.88 H new ATOM 0 HB3 SER A 66 9.471 11.488 -1.132 1.00 12.88 H new ATOM 0 HG SER A 66 11.629 11.074 -1.911 1.00 14.72 H new ATOM 1034 N SER A 67 8.043 8.526 -1.814 1.00 7.98 N ATOM 1035 CA SER A 67 8.149 7.063 -1.591 1.00 8.20 C ATOM 1036 C SER A 67 7.010 6.332 -2.316 1.00 11.02 C ATOM 1037 O SER A 67 6.969 5.119 -2.353 1.00 11.45 O ATOM 1038 CB SER A 67 8.050 6.781 -0.093 1.00 8.01 C ATOM 1039 OG SER A 67 8.850 7.721 0.613 1.00 11.22 O ATOM 0 H SER A 67 7.400 9.008 -1.185 1.00 7.98 H new ATOM 0 HA SER A 67 9.104 6.709 -1.980 1.00 8.20 H new ATOM 0 HB2 SER A 67 7.013 6.850 0.234 1.00 8.01 H new ATOM 0 HB3 SER A 67 8.385 5.766 0.121 1.00 8.01 H new ATOM 0 HG SER A 67 9.452 7.246 1.223 1.00 11.22 H new ATOM 1045 N PHE A 68 6.073 7.055 -2.874 1.00 10.09 N ATOM 1046 CA PHE A 68 4.932 6.388 -3.568 1.00 11.79 C ATOM 1047 C PHE A 68 5.332 6.032 -5.000 1.00 12.69 C ATOM 1048 O PHE A 68 6.283 6.559 -5.542 1.00 14.25 O ATOM 1049 CB PHE A 68 3.721 7.332 -3.604 1.00 10.08 C ATOM 1050 CG PHE A 68 3.427 7.874 -2.221 1.00 11.89 C ATOM 1051 CD1 PHE A 68 4.138 7.416 -1.099 1.00 10.16 C ATOM 1052 CD2 PHE A 68 2.456 8.871 -2.069 1.00 12.12 C ATOM 1053 CE1 PHE A 68 3.874 7.957 0.162 1.00 9.89 C ATOM 1054 CE2 PHE A 68 2.198 9.413 -0.807 1.00 10.35 C ATOM 1055 CZ PHE A 68 2.908 8.956 0.306 1.00 11.87 C ATOM 0 H PHE A 68 6.049 8.075 -2.879 1.00 10.09 H new ATOM 0 HA PHE A 68 4.672 5.479 -3.025 1.00 11.79 H new ATOM 0 HB2 PHE A 68 3.916 8.156 -4.290 1.00 10.08 H new ATOM 0 HB3 PHE A 68 2.849 6.800 -3.985 1.00 10.08 H new ATOM 0 HD1 PHE A 68 4.888 6.647 -1.211 1.00 10.16 H new ATOM 0 HD2 PHE A 68 1.905 9.222 -2.929 1.00 12.12 H new ATOM 0 HE1 PHE A 68 4.417 7.603 1.026 1.00 9.89 H new ATOM 0 HE2 PHE A 68 1.451 10.184 -0.692 1.00 10.35 H new ATOM 0 HZ PHE A 68 2.709 9.376 1.281 1.00 11.87 H new ATOM 1065 N LYS A 69 4.605 5.142 -5.616 1.00 12.51 N ATOM 1066 CA LYS A 69 4.928 4.747 -7.015 1.00 15.38 C ATOM 1067 C LYS A 69 3.687 4.137 -7.668 1.00 15.02 C ATOM 1068 O LYS A 69 2.701 3.863 -7.013 1.00 15.36 O ATOM 1069 CB LYS A 69 6.057 3.716 -7.009 1.00 16.04 C ATOM 1070 CG LYS A 69 5.925 2.821 -5.775 1.00 20.35 C ATOM 1071 CD LYS A 69 6.397 1.406 -6.115 1.00 21.35 C ATOM 1072 CE LYS A 69 5.541 0.386 -5.361 1.00 30.24 C ATOM 1073 NZ LYS A 69 6.217 -0.942 -5.379 1.00 32.70 N ATOM 0 H LYS A 69 3.798 4.670 -5.209 1.00 12.51 H new ATOM 0 HA LYS A 69 5.244 5.626 -7.577 1.00 15.38 H new ATOM 0 HB2 LYS A 69 6.017 3.112 -7.915 1.00 16.04 H new ATOM 0 HB3 LYS A 69 7.024 4.220 -7.004 1.00 16.04 H new ATOM 0 HG2 LYS A 69 6.518 3.226 -4.955 1.00 20.35 H new ATOM 0 HG3 LYS A 69 4.888 2.799 -5.439 1.00 20.35 H new ATOM 0 HD2 LYS A 69 6.323 1.235 -7.189 1.00 21.35 H new ATOM 0 HD3 LYS A 69 7.446 1.287 -5.845 1.00 21.35 H new ATOM 0 HE2 LYS A 69 5.388 0.714 -4.333 1.00 30.24 H new ATOM 0 HE3 LYS A 69 4.556 0.311 -5.822 1.00 30.24 H new ATOM 0 HZ1 LYS A 69 5.635 -1.635 -4.866 1.00 32.70 H new ATOM 0 HZ2 LYS A 69 6.342 -1.255 -6.363 1.00 32.70 H new ATOM 0 HZ3 LYS A 69 7.147 -0.864 -4.920 1.00 32.70 H new ATOM 1087 N VAL A 70 3.728 3.915 -8.952 1.00 13.65 N ATOM 1088 CA VAL A 70 2.549 3.316 -9.642 1.00 13.49 C ATOM 1089 C VAL A 70 2.973 2.011 -10.319 1.00 11.85 C ATOM 1090 O VAL A 70 3.800 2.002 -11.209 1.00 12.13 O ATOM 1091 CB VAL A 70 2.005 4.284 -10.693 1.00 14.48 C ATOM 1092 CG1 VAL A 70 0.485 4.130 -10.788 1.00 14.02 C ATOM 1093 CG2 VAL A 70 2.349 5.725 -10.304 1.00 15.63 C ATOM 0 H VAL A 70 4.525 4.122 -9.554 1.00 13.65 H new ATOM 0 HA VAL A 70 1.767 3.116 -8.909 1.00 13.49 H new ATOM 0 HB VAL A 70 2.458 4.057 -11.658 1.00 14.48 H new ATOM 0 HG11 VAL A 70 0.096 4.820 -11.537 1.00 14.02 H new ATOM 0 HG12 VAL A 70 0.240 3.107 -11.074 1.00 14.02 H new ATOM 0 HG13 VAL A 70 0.035 4.353 -9.820 1.00 14.02 H new ATOM 0 HG21 VAL A 70 1.958 6.409 -11.058 1.00 15.63 H new ATOM 0 HG22 VAL A 70 1.903 5.957 -9.337 1.00 15.63 H new ATOM 0 HG23 VAL A 70 3.431 5.836 -10.240 1.00 15.63 H new ATOM 1103 N GLY A 71 2.416 0.908 -9.900 1.00 11.15 N ATOM 1104 CA GLY A 71 2.789 -0.398 -10.515 1.00 11.07 C ATOM 1105 C GLY A 71 2.191 -0.498 -11.919 1.00 12.15 C ATOM 1106 O GLY A 71 1.665 0.460 -12.449 1.00 12.70 O ATOM 0 H GLY A 71 1.718 0.854 -9.158 1.00 11.15 H new ATOM 0 HA2 GLY A 71 3.874 -0.491 -10.564 1.00 11.07 H new ATOM 0 HA3 GLY A 71 2.427 -1.219 -9.896 1.00 11.07 H new ATOM 1110 N GLN A 72 2.267 -1.652 -12.527 1.00 15.78 N ATOM 1111 CA GLN A 72 1.705 -1.812 -13.894 1.00 19.42 C ATOM 1112 C GLN A 72 0.241 -2.241 -13.796 1.00 16.97 C ATOM 1113 O GLN A 72 -0.327 -2.788 -14.720 1.00 20.46 O ATOM 1114 CB GLN A 72 2.512 -2.868 -14.656 1.00 22.64 C ATOM 1115 CG GLN A 72 1.853 -3.150 -16.008 1.00 25.29 C ATOM 1116 CD GLN A 72 1.196 -4.532 -15.980 1.00 26.29 C ATOM 1117 OE1 GLN A 72 1.092 -5.188 -16.997 1.00 26.22 O ATOM 1118 NE2 GLN A 72 0.745 -5.008 -14.850 1.00 25.15 N ATOM 0 H GLN A 72 2.695 -2.490 -12.133 1.00 15.78 H new ATOM 0 HA GLN A 72 1.763 -0.864 -14.429 1.00 19.42 H new ATOM 0 HB2 GLN A 72 3.534 -2.520 -14.805 1.00 22.64 H new ATOM 0 HB3 GLN A 72 2.570 -3.786 -14.071 1.00 22.64 H new ATOM 0 HG2 GLN A 72 1.107 -2.386 -16.227 1.00 25.29 H new ATOM 0 HG3 GLN A 72 2.597 -3.106 -16.803 1.00 25.29 H new ATOM 0 HE21 GLN A 72 0.831 -4.459 -13.995 1.00 25.15 H new ATOM 0 HE22 GLN A 72 0.307 -5.929 -14.823 1.00 25.15 H new ATOM 1127 N PHE A 73 -0.372 -1.994 -12.678 1.00 14.56 N ATOM 1128 CA PHE A 73 -1.796 -2.379 -12.502 1.00 14.60 C ATOM 1129 C PHE A 73 -2.659 -1.119 -12.400 1.00 15.63 C ATOM 1130 O PHE A 73 -3.826 -1.181 -12.069 1.00 17.80 O ATOM 1131 CB PHE A 73 -1.941 -3.200 -11.223 1.00 12.63 C ATOM 1132 CG PHE A 73 -3.123 -4.122 -11.357 1.00 14.99 C ATOM 1133 CD1 PHE A 73 -4.410 -3.657 -11.060 1.00 16.27 C ATOM 1134 CD2 PHE A 73 -2.937 -5.444 -11.779 1.00 19.79 C ATOM 1135 CE1 PHE A 73 -5.510 -4.514 -11.186 1.00 20.44 C ATOM 1136 CE2 PHE A 73 -4.037 -6.301 -11.904 1.00 18.68 C ATOM 1137 CZ PHE A 73 -5.323 -5.836 -11.608 1.00 17.88 C ATOM 0 H PHE A 73 0.055 -1.538 -11.871 1.00 14.56 H new ATOM 0 HA PHE A 73 -2.122 -2.971 -13.357 1.00 14.60 H new ATOM 0 HB2 PHE A 73 -1.034 -3.777 -11.042 1.00 12.63 H new ATOM 0 HB3 PHE A 73 -2.075 -2.540 -10.366 1.00 12.63 H new ATOM 0 HD1 PHE A 73 -4.554 -2.638 -10.734 1.00 16.27 H new ATOM 0 HD2 PHE A 73 -1.944 -5.803 -12.008 1.00 19.79 H new ATOM 0 HE1 PHE A 73 -6.503 -4.155 -10.958 1.00 20.44 H new ATOM 0 HE2 PHE A 73 -3.893 -7.321 -12.229 1.00 18.68 H new ATOM 0 HZ PHE A 73 -6.172 -6.497 -11.705 1.00 17.88 H new ATOM 1147 N GLY A 74 -2.095 0.023 -12.680 1.00 13.82 N ATOM 1148 CA GLY A 74 -2.885 1.284 -12.598 1.00 13.44 C ATOM 1149 C GLY A 74 -3.343 1.510 -11.155 1.00 10.42 C ATOM 1150 O GLY A 74 -4.518 1.650 -10.882 1.00 13.62 O ATOM 0 H GLY A 74 -1.122 0.138 -12.962 1.00 13.82 H new ATOM 0 HA2 GLY A 74 -2.280 2.126 -12.934 1.00 13.44 H new ATOM 0 HA3 GLY A 74 -3.749 1.227 -13.260 1.00 13.44 H new ATOM 1154 N SER A 75 -2.423 1.549 -10.229 1.00 12.64 N ATOM 1155 CA SER A 75 -2.808 1.768 -8.806 1.00 12.47 C ATOM 1156 C SER A 75 -1.612 2.327 -8.031 1.00 12.47 C ATOM 1157 O SER A 75 -0.572 1.706 -7.943 1.00 11.32 O ATOM 1158 CB SER A 75 -3.241 0.440 -8.185 1.00 11.21 C ATOM 1159 OG SER A 75 -3.943 -0.326 -9.156 1.00 18.27 O ATOM 0 H SER A 75 -1.423 1.439 -10.397 1.00 12.64 H new ATOM 0 HA SER A 75 -3.634 2.478 -8.760 1.00 12.47 H new ATOM 0 HB2 SER A 75 -2.369 -0.111 -7.831 1.00 11.21 H new ATOM 0 HB3 SER A 75 -3.877 0.621 -7.318 1.00 11.21 H new ATOM 0 HG SER A 75 -4.221 -1.179 -8.761 1.00 18.27 H new ATOM 1165 N LEU A 76 -1.752 3.496 -7.464 1.00 12.43 N ATOM 1166 CA LEU A 76 -0.624 4.091 -6.692 1.00 12.18 C ATOM 1167 C LEU A 76 -0.426 3.302 -5.396 1.00 12.07 C ATOM 1168 O LEU A 76 -1.338 2.672 -4.900 1.00 9.82 O ATOM 1169 CB LEU A 76 -0.944 5.550 -6.360 1.00 11.99 C ATOM 1170 CG LEU A 76 0.354 6.358 -6.299 1.00 8.87 C ATOM 1171 CD1 LEU A 76 0.287 7.508 -7.307 1.00 9.28 C ATOM 1172 CD2 LEU A 76 0.535 6.924 -4.888 1.00 7.80 C ATOM 0 H LEU A 76 -2.599 4.064 -7.502 1.00 12.43 H new ATOM 0 HA LEU A 76 0.288 4.049 -7.287 1.00 12.18 H new ATOM 0 HB2 LEU A 76 -1.610 5.968 -7.115 1.00 11.99 H new ATOM 0 HB3 LEU A 76 -1.467 5.610 -5.406 1.00 11.99 H new ATOM 0 HG LEU A 76 1.197 5.712 -6.542 1.00 8.87 H new ATOM 0 HD11 LEU A 76 1.211 8.084 -7.264 1.00 9.28 H new ATOM 0 HD12 LEU A 76 0.157 7.105 -8.311 1.00 9.28 H new ATOM 0 HD13 LEU A 76 -0.556 8.156 -7.065 1.00 9.28 H new ATOM 0 HD21 LEU A 76 1.459 7.500 -4.843 1.00 7.80 H new ATOM 0 HD22 LEU A 76 -0.308 7.571 -4.645 1.00 7.80 H new ATOM 0 HD23 LEU A 76 0.583 6.105 -4.171 1.00 7.80 H new ATOM 1184 N MET A 77 0.758 3.332 -4.844 1.00 14.08 N ATOM 1185 CA MET A 77 1.011 2.580 -3.581 1.00 14.12 C ATOM 1186 C MET A 77 2.300 3.084 -2.929 1.00 11.37 C ATOM 1187 O MET A 77 3.328 3.196 -3.566 1.00 11.44 O ATOM 1188 CB MET A 77 1.157 1.089 -3.896 1.00 16.48 C ATOM 1189 CG MET A 77 -0.220 0.486 -4.175 1.00 24.75 C ATOM 1190 SD MET A 77 -0.159 -1.304 -3.920 1.00 35.11 S ATOM 1191 CE MET A 77 0.520 -1.741 -5.540 1.00 33.86 C ATOM 0 H MET A 77 1.559 3.844 -5.213 1.00 14.08 H new ATOM 0 HA MET A 77 0.175 2.733 -2.899 1.00 14.12 H new ATOM 0 HB2 MET A 77 1.807 0.952 -4.760 1.00 16.48 H new ATOM 0 HB3 MET A 77 1.627 0.574 -3.058 1.00 16.48 H new ATOM 0 HG2 MET A 77 -0.964 0.933 -3.516 1.00 24.75 H new ATOM 0 HG3 MET A 77 -0.525 0.708 -5.198 1.00 24.75 H new ATOM 0 HE1 MET A 77 0.643 -2.822 -5.603 1.00 33.86 H new ATOM 0 HE2 MET A 77 -0.161 -1.407 -6.322 1.00 33.86 H new ATOM 0 HE3 MET A 77 1.488 -1.258 -5.671 1.00 33.86 H new ATOM 1201 N ILE A 78 2.253 3.384 -1.660 1.00 11.78 N ATOM 1202 CA ILE A 78 3.476 3.876 -0.962 1.00 11.62 C ATOM 1203 C ILE A 78 4.541 2.776 -0.944 1.00 11.45 C ATOM 1204 O ILE A 78 4.245 1.613 -0.758 1.00 12.59 O ATOM 1205 CB ILE A 78 3.139 4.234 0.482 1.00 12.05 C ATOM 1206 CG1 ILE A 78 2.217 5.455 0.523 1.00 7.09 C ATOM 1207 CG2 ILE A 78 4.432 4.537 1.243 1.00 10.70 C ATOM 1208 CD1 ILE A 78 0.876 5.060 1.146 1.00 13.67 C ATOM 0 H ILE A 78 1.420 3.310 -1.075 1.00 11.78 H new ATOM 0 HA ILE A 78 3.848 4.753 -1.491 1.00 11.62 H new ATOM 0 HB ILE A 78 2.627 3.393 0.949 1.00 12.05 H new ATOM 0 HG12 ILE A 78 2.679 6.254 1.104 1.00 7.09 H new ATOM 0 HG13 ILE A 78 2.063 5.842 -0.484 1.00 7.09 H new ATOM 0 HG21 ILE A 78 4.195 4.793 2.276 1.00 10.70 H new ATOM 0 HG22 ILE A 78 5.078 3.659 1.226 1.00 10.70 H new ATOM 0 HG23 ILE A 78 4.945 5.374 0.770 1.00 10.70 H new ATOM 0 HD11 ILE A 78 0.219 5.929 1.176 1.00 13.67 H new ATOM 0 HD12 ILE A 78 0.414 4.275 0.547 1.00 13.67 H new ATOM 0 HD13 ILE A 78 1.039 4.694 2.160 1.00 13.67 H new ATOM 1220 N ASP A 79 5.779 3.143 -1.107 1.00 10.05 N ATOM 1221 CA ASP A 79 6.876 2.131 -1.067 1.00 14.79 C ATOM 1222 C ASP A 79 7.613 2.281 0.263 1.00 15.20 C ATOM 1223 O ASP A 79 8.040 1.322 0.876 1.00 18.10 O ATOM 1224 CB ASP A 79 7.846 2.373 -2.226 1.00 12.21 C ATOM 1225 CG ASP A 79 8.666 1.106 -2.478 1.00 17.52 C ATOM 1226 OD1 ASP A 79 8.095 0.030 -2.406 1.00 24.06 O ATOM 1227 OD2 ASP A 79 9.851 1.234 -2.740 1.00 21.87 O ATOM 0 H ASP A 79 6.083 4.103 -1.267 1.00 10.05 H new ATOM 0 HA ASP A 79 6.466 1.126 -1.160 1.00 14.79 H new ATOM 0 HB2 ASP A 79 7.294 2.647 -3.125 1.00 12.21 H new ATOM 0 HB3 ASP A 79 8.508 3.207 -1.992 1.00 12.21 H new ATOM 1232 N ARG A 80 7.736 3.494 0.710 1.00 17.08 N ATOM 1233 CA ARG A 80 8.409 3.786 2.004 1.00 17.14 C ATOM 1234 C ARG A 80 8.153 5.254 2.313 1.00 14.98 C ATOM 1235 O ARG A 80 9.035 6.088 2.259 1.00 16.47 O ATOM 1236 CB ARG A 80 9.913 3.520 1.896 1.00 17.78 C ATOM 1237 CG ARG A 80 10.597 3.911 3.208 1.00 22.76 C ATOM 1238 CD ARG A 80 11.510 2.773 3.666 1.00 28.43 C ATOM 1239 NE ARG A 80 12.848 2.922 3.026 1.00 33.10 N ATOM 1240 CZ ARG A 80 13.871 2.247 3.479 1.00 30.84 C ATOM 1241 NH1 ARG A 80 13.725 1.433 4.490 1.00 33.12 N ATOM 1242 NH2 ARG A 80 15.041 2.386 2.918 1.00 35.04 N ATOM 0 H ARG A 80 7.389 4.319 0.220 1.00 17.08 H new ATOM 0 HA ARG A 80 8.020 3.147 2.797 1.00 17.14 H new ATOM 0 HB2 ARG A 80 10.092 2.467 1.680 1.00 17.78 H new ATOM 0 HB3 ARG A 80 10.335 4.091 1.069 1.00 17.78 H new ATOM 0 HG2 ARG A 80 11.177 4.824 3.070 1.00 22.76 H new ATOM 0 HG3 ARG A 80 9.849 4.121 3.972 1.00 22.76 H new ATOM 0 HD2 ARG A 80 11.610 2.787 4.751 1.00 28.43 H new ATOM 0 HD3 ARG A 80 11.072 1.811 3.399 1.00 28.43 H new ATOM 0 HE ARG A 80 12.965 3.552 2.233 1.00 33.10 H new ATOM 0 HH11 ARG A 80 12.811 1.323 4.928 1.00 33.12 H new ATOM 0 HH12 ARG A 80 14.525 0.907 4.841 1.00 33.12 H new ATOM 0 HH21 ARG A 80 15.155 3.021 2.128 1.00 35.04 H new ATOM 0 HH22 ARG A 80 15.841 1.860 3.270 1.00 35.04 H new ATOM 1256 N LEU A 81 6.921 5.555 2.588 1.00 11.03 N ATOM 1257 CA LEU A 81 6.489 6.951 2.863 1.00 11.27 C ATOM 1258 C LEU A 81 7.614 7.791 3.485 1.00 15.61 C ATOM 1259 O LEU A 81 8.081 7.528 4.575 1.00 18.56 O ATOM 1260 CB LEU A 81 5.259 6.909 3.773 1.00 13.62 C ATOM 1261 CG LEU A 81 5.673 6.931 5.241 1.00 12.84 C ATOM 1262 CD1 LEU A 81 4.418 6.871 6.114 1.00 11.44 C ATOM 1263 CD2 LEU A 81 6.555 5.711 5.533 1.00 18.72 C ATOM 0 H LEU A 81 6.168 4.868 2.636 1.00 11.03 H new ATOM 0 HA LEU A 81 6.235 7.436 1.920 1.00 11.27 H new ATOM 0 HB2 LEU A 81 4.613 7.761 3.559 1.00 13.62 H new ATOM 0 HB3 LEU A 81 4.679 6.010 3.567 1.00 13.62 H new ATOM 0 HG LEU A 81 6.228 7.844 5.457 1.00 12.84 H new ATOM 0 HD11 LEU A 81 4.705 6.886 7.165 1.00 11.44 H new ATOM 0 HD12 LEU A 81 3.783 7.731 5.899 1.00 11.44 H new ATOM 0 HD13 LEU A 81 3.870 5.953 5.901 1.00 11.44 H new ATOM 0 HD21 LEU A 81 6.854 5.721 6.581 1.00 18.72 H new ATOM 0 HD22 LEU A 81 5.996 4.799 5.324 1.00 18.72 H new ATOM 0 HD23 LEU A 81 7.443 5.745 4.902 1.00 18.72 H new ATOM 1275 N ARG A 82 8.035 8.819 2.794 1.00 13.37 N ATOM 1276 CA ARG A 82 9.104 9.702 3.334 1.00 12.72 C ATOM 1277 C ARG A 82 8.433 10.849 4.088 1.00 13.33 C ATOM 1278 O ARG A 82 7.750 11.668 3.507 1.00 13.27 O ATOM 1279 CB ARG A 82 9.940 10.262 2.180 1.00 13.85 C ATOM 1280 CG ARG A 82 11.426 10.057 2.478 1.00 16.22 C ATOM 1281 CD ARG A 82 12.261 10.773 1.414 1.00 16.62 C ATOM 1282 NE ARG A 82 13.489 11.337 2.042 1.00 15.85 N ATOM 1283 CZ ARG A 82 14.486 11.731 1.295 1.00 17.96 C ATOM 1284 NH1 ARG A 82 14.411 11.632 -0.006 1.00 20.55 N ATOM 1285 NH2 ARG A 82 15.559 12.225 1.850 1.00 16.89 N ATOM 0 H ARG A 82 7.681 9.083 1.875 1.00 13.37 H new ATOM 0 HA ARG A 82 9.759 9.142 4.001 1.00 12.72 H new ATOM 0 HB2 ARG A 82 9.673 9.763 1.248 1.00 13.85 H new ATOM 0 HB3 ARG A 82 9.728 11.323 2.045 1.00 13.85 H new ATOM 0 HG2 ARG A 82 11.667 10.446 3.467 1.00 16.22 H new ATOM 0 HG3 ARG A 82 11.663 8.993 2.487 1.00 16.22 H new ATOM 0 HD2 ARG A 82 12.533 10.077 0.620 1.00 16.62 H new ATOM 0 HD3 ARG A 82 11.677 11.570 0.953 1.00 16.62 H new ATOM 0 HE ARG A 82 13.551 11.416 3.057 1.00 15.85 H new ATOM 0 HH11 ARG A 82 13.573 11.246 -0.441 1.00 20.55 H new ATOM 0 HH12 ARG A 82 15.191 11.940 -0.587 1.00 20.55 H new ATOM 0 HH21 ARG A 82 15.618 12.303 2.865 1.00 16.89 H new ATOM 0 HH22 ARG A 82 16.338 12.533 1.268 1.00 16.89 H new ATOM 1299 N LEU A 83 8.595 10.900 5.377 1.00 13.53 N ATOM 1300 CA LEU A 83 7.935 11.978 6.164 1.00 13.86 C ATOM 1301 C LEU A 83 8.747 13.272 6.110 1.00 13.02 C ATOM 1302 O LEU A 83 9.947 13.273 5.925 1.00 14.40 O ATOM 1303 CB LEU A 83 7.771 11.530 7.619 1.00 9.93 C ATOM 1304 CG LEU A 83 6.969 12.573 8.383 1.00 8.07 C ATOM 1305 CD1 LEU A 83 5.482 12.412 8.060 1.00 8.88 C ATOM 1306 CD2 LEU A 83 7.190 12.382 9.886 1.00 10.58 C ATOM 0 H LEU A 83 9.155 10.244 5.921 1.00 13.53 H new ATOM 0 HA LEU A 83 6.955 12.170 5.727 1.00 13.86 H new ATOM 0 HB2 LEU A 83 7.265 10.565 7.659 1.00 9.93 H new ATOM 0 HB3 LEU A 83 8.749 11.396 8.082 1.00 9.93 H new ATOM 0 HG LEU A 83 7.296 13.571 8.091 1.00 8.07 H new ATOM 0 HD11 LEU A 83 4.908 13.159 8.608 1.00 8.88 H new ATOM 0 HD12 LEU A 83 5.326 12.547 6.990 1.00 8.88 H new ATOM 0 HD13 LEU A 83 5.152 11.415 8.352 1.00 8.88 H new ATOM 0 HD21 LEU A 83 6.616 13.128 10.436 1.00 10.58 H new ATOM 0 HD22 LEU A 83 6.862 11.384 10.178 1.00 10.58 H new ATOM 0 HD23 LEU A 83 8.249 12.497 10.116 1.00 10.58 H new ATOM 1318 N VAL A 84 8.074 14.377 6.270 1.00 11.81 N ATOM 1319 CA VAL A 84 8.739 15.699 6.243 1.00 12.86 C ATOM 1320 C VAL A 84 7.912 16.658 7.106 1.00 14.98 C ATOM 1321 O VAL A 84 6.718 16.483 7.234 1.00 13.59 O ATOM 1322 CB VAL A 84 8.767 16.197 4.800 1.00 14.61 C ATOM 1323 CG1 VAL A 84 9.540 15.203 3.931 1.00 17.65 C ATOM 1324 CG2 VAL A 84 7.333 16.326 4.279 1.00 17.34 C ATOM 0 H VAL A 84 7.066 14.414 6.422 1.00 11.81 H new ATOM 0 HA VAL A 84 9.758 15.637 6.625 1.00 12.86 H new ATOM 0 HB VAL A 84 9.257 17.170 4.760 1.00 14.61 H new ATOM 0 HG11 VAL A 84 9.560 15.559 2.901 1.00 17.65 H new ATOM 0 HG12 VAL A 84 10.560 15.111 4.303 1.00 17.65 H new ATOM 0 HG13 VAL A 84 9.051 14.229 3.969 1.00 17.65 H new ATOM 0 HG21 VAL A 84 7.351 16.682 3.249 1.00 17.34 H new ATOM 0 HG22 VAL A 84 6.843 15.353 4.319 1.00 17.34 H new ATOM 0 HG23 VAL A 84 6.783 17.035 4.898 1.00 17.34 H new ATOM 1334 N PRO A 85 8.554 17.647 7.668 1.00 18.65 N ATOM 1335 CA PRO A 85 7.871 18.642 8.512 1.00 22.41 C ATOM 1336 C PRO A 85 6.803 19.391 7.704 1.00 25.70 C ATOM 1337 O PRO A 85 6.982 19.683 6.538 1.00 22.08 O ATOM 1338 CB PRO A 85 9.003 19.547 9.003 1.00 21.19 C ATOM 1339 CG PRO A 85 10.168 19.322 8.028 1.00 18.95 C ATOM 1340 CD PRO A 85 9.993 17.887 7.502 1.00 20.63 C ATOM 0 HA PRO A 85 7.325 18.208 9.350 1.00 22.41 H new ATOM 0 HB2 PRO A 85 8.694 20.592 9.009 1.00 21.19 H new ATOM 0 HB3 PRO A 85 9.292 19.294 10.023 1.00 21.19 H new ATOM 0 HG2 PRO A 85 10.142 20.045 7.212 1.00 18.95 H new ATOM 0 HG3 PRO A 85 11.128 19.442 8.530 1.00 18.95 H new ATOM 0 HD2 PRO A 85 10.299 17.799 6.460 1.00 20.63 H new ATOM 0 HD3 PRO A 85 10.589 17.173 8.070 1.00 20.63 H new ATOM 1348 N ALA A 86 5.679 19.679 8.312 1.00 31.74 N ATOM 1349 CA ALA A 86 4.581 20.379 7.584 1.00 39.94 C ATOM 1350 C ALA A 86 4.949 21.850 7.387 1.00 46.96 C ATOM 1351 O ALA A 86 5.207 22.568 8.332 1.00 49.29 O ATOM 1352 CB ALA A 86 3.289 20.276 8.402 1.00 39.70 C ATOM 0 H ALA A 86 5.476 19.457 9.287 1.00 31.74 H new ATOM 0 HA ALA A 86 4.435 19.914 6.609 1.00 39.94 H new ATOM 0 HB1 ALA A 86 2.483 20.786 7.875 1.00 39.70 H new ATOM 0 HB2 ALA A 86 3.027 19.227 8.538 1.00 39.70 H new ATOM 0 HB3 ALA A 86 3.437 20.742 9.376 1.00 39.70 H new ATOM 1358 N LYS A 87 4.976 22.302 6.165 1.00 51.78 N ATOM 1359 CA LYS A 87 5.327 23.727 5.903 1.00 55.12 C ATOM 1360 C LYS A 87 4.149 24.622 6.294 1.00 55.82 C ATOM 1361 O LYS A 87 4.248 25.820 6.089 1.00 58.05 O ATOM 1362 CB LYS A 87 5.636 23.910 4.416 1.00 52.96 C ATOM 1363 CG LYS A 87 4.424 23.482 3.586 1.00 55.49 C ATOM 1364 CD LYS A 87 4.847 22.411 2.578 1.00 56.64 C ATOM 1365 CE LYS A 87 5.508 23.077 1.370 1.00 58.91 C ATOM 1366 NZ LYS A 87 6.639 22.231 0.893 1.00 58.16 N ATOM 1367 OXT LYS A 87 3.169 24.094 6.793 1.00 57.66 O ATOM 0 H LYS A 87 4.770 21.746 5.335 1.00 51.78 H new ATOM 0 HA LYS A 87 6.202 24.001 6.492 1.00 55.12 H new ATOM 0 HB2 LYS A 87 5.881 24.952 4.210 1.00 52.96 H new ATOM 0 HB3 LYS A 87 6.507 23.317 4.139 1.00 52.96 H new ATOM 0 HG2 LYS A 87 3.642 23.094 4.239 1.00 55.49 H new ATOM 0 HG3 LYS A 87 4.005 24.342 3.064 1.00 55.49 H new ATOM 0 HD2 LYS A 87 5.540 21.711 3.045 1.00 56.64 H new ATOM 0 HD3 LYS A 87 3.979 21.835 2.259 1.00 56.64 H new ATOM 0 HE2 LYS A 87 4.779 23.212 0.571 1.00 58.91 H new ATOM 0 HE3 LYS A 87 5.871 24.069 1.641 1.00 58.91 H new ATOM 0 HZ1 LYS A 87 7.089 22.684 0.072 1.00 58.16 H new ATOM 0 HZ2 LYS A 87 7.338 22.124 1.655 1.00 58.16 H new ATOM 0 HZ3 LYS A 87 6.280 21.294 0.619 1.00 58.16 H new TER 1381 LYS A 87 ATOM 1382 N MET B 1 3.168 16.907 -2.591 1.00 42.32 N ATOM 1383 CA MET B 1 1.769 16.579 -2.988 1.00 40.89 C ATOM 1384 C MET B 1 1.787 15.573 -4.138 1.00 34.75 C ATOM 1385 O MET B 1 2.499 15.738 -5.108 1.00 33.97 O ATOM 1386 CB MET B 1 1.053 17.853 -3.444 1.00 48.45 C ATOM 1387 CG MET B 1 -0.297 17.489 -4.071 1.00 56.13 C ATOM 1388 SD MET B 1 -1.624 18.305 -3.148 1.00 64.91 S ATOM 1389 CE MET B 1 -1.324 19.984 -3.753 1.00 63.43 C ATOM 0 H1 MET B 1 3.155 17.592 -1.808 1.00 42.32 H new ATOM 0 H2 MET B 1 3.654 16.040 -2.285 1.00 42.32 H new ATOM 0 H3 MET B 1 3.672 17.318 -3.403 1.00 42.32 H new ATOM 0 HA MET B 1 1.244 16.150 -2.134 1.00 40.89 H new ATOM 0 HB2 MET B 1 0.903 18.521 -2.596 1.00 48.45 H new ATOM 0 HB3 MET B 1 1.668 18.389 -4.167 1.00 48.45 H new ATOM 0 HG2 MET B 1 -0.321 17.799 -5.116 1.00 56.13 H new ATOM 0 HG3 MET B 1 -0.439 16.408 -4.056 1.00 56.13 H new ATOM 0 HE1 MET B 1 -0.794 20.556 -2.991 1.00 63.43 H new ATOM 0 HE2 MET B 1 -0.721 19.942 -4.660 1.00 63.43 H new ATOM 0 HE3 MET B 1 -2.276 20.467 -3.973 1.00 63.43 H new ATOM 1401 N ILE B 2 1.001 14.537 -4.043 1.00 28.59 N ATOM 1402 CA ILE B 2 0.967 13.532 -5.140 1.00 24.58 C ATOM 1403 C ILE B 2 0.260 14.160 -6.337 1.00 19.29 C ATOM 1404 O ILE B 2 -0.891 13.890 -6.611 1.00 19.53 O ATOM 1405 CB ILE B 2 0.211 12.292 -4.674 1.00 25.10 C ATOM 1406 CG1 ILE B 2 0.693 11.894 -3.279 1.00 28.92 C ATOM 1407 CG2 ILE B 2 0.480 11.142 -5.642 1.00 23.06 C ATOM 1408 CD1 ILE B 2 -0.465 11.275 -2.508 1.00 33.80 C ATOM 0 H ILE B 2 0.383 14.344 -3.255 1.00 28.59 H new ATOM 0 HA ILE B 2 1.978 13.236 -5.419 1.00 24.58 H new ATOM 0 HB ILE B 2 -0.857 12.509 -4.645 1.00 25.10 H new ATOM 0 HG12 ILE B 2 1.516 11.184 -3.354 1.00 28.92 H new ATOM 0 HG13 ILE B 2 1.073 12.768 -2.749 1.00 28.92 H new ATOM 0 HG21 ILE B 2 -0.059 10.254 -5.311 1.00 23.06 H new ATOM 0 HG22 ILE B 2 0.143 11.420 -6.640 1.00 23.06 H new ATOM 0 HG23 ILE B 2 1.549 10.929 -5.666 1.00 23.06 H new ATOM 0 HD11 ILE B 2 -0.127 10.989 -1.512 1.00 33.80 H new ATOM 0 HD12 ILE B 2 -1.274 12.000 -2.422 1.00 33.80 H new ATOM 0 HD13 ILE B 2 -0.824 10.392 -3.037 1.00 33.80 H new ATOM 1420 N LYS B 3 0.945 15.023 -7.029 1.00 18.14 N ATOM 1421 CA LYS B 3 0.332 15.720 -8.193 1.00 16.66 C ATOM 1422 C LYS B 3 -0.052 14.726 -9.294 1.00 14.94 C ATOM 1423 O LYS B 3 0.489 13.643 -9.399 1.00 13.94 O ATOM 1424 CB LYS B 3 1.313 16.783 -8.718 1.00 16.94 C ATOM 1425 CG LYS B 3 2.030 16.279 -9.965 1.00 17.85 C ATOM 1426 CD LYS B 3 3.137 17.260 -10.356 1.00 19.63 C ATOM 1427 CE LYS B 3 2.583 18.686 -10.349 1.00 26.28 C ATOM 1428 NZ LYS B 3 3.143 19.443 -11.504 1.00 32.72 N ATOM 0 H LYS B 3 1.914 15.279 -6.837 1.00 18.14 H new ATOM 0 HA LYS B 3 -0.587 16.211 -7.873 1.00 16.66 H new ATOM 0 HB2 LYS B 3 0.774 17.702 -8.948 1.00 16.94 H new ATOM 0 HB3 LYS B 3 2.042 17.026 -7.945 1.00 16.94 H new ATOM 0 HG2 LYS B 3 2.454 15.293 -9.778 1.00 17.85 H new ATOM 0 HG3 LYS B 3 1.320 16.171 -10.785 1.00 17.85 H new ATOM 0 HD2 LYS B 3 3.971 17.179 -9.659 1.00 19.63 H new ATOM 0 HD3 LYS B 3 3.523 17.014 -11.345 1.00 19.63 H new ATOM 0 HE2 LYS B 3 1.495 18.665 -10.408 1.00 26.28 H new ATOM 0 HE3 LYS B 3 2.842 19.184 -9.414 1.00 26.28 H new ATOM 0 HZ1 LYS B 3 2.766 20.412 -11.499 1.00 32.72 H new ATOM 0 HZ2 LYS B 3 4.180 19.474 -11.429 1.00 32.72 H new ATOM 0 HZ3 LYS B 3 2.874 18.972 -12.391 1.00 32.72 H new ATOM 1442 N VAL B 4 -0.993 15.110 -10.112 1.00 12.42 N ATOM 1443 CA VAL B 4 -1.450 14.233 -11.218 1.00 12.99 C ATOM 1444 C VAL B 4 -2.235 15.087 -12.223 1.00 14.26 C ATOM 1445 O VAL B 4 -2.581 16.218 -11.953 1.00 13.80 O ATOM 1446 CB VAL B 4 -2.328 13.084 -10.652 1.00 12.94 C ATOM 1447 CG1 VAL B 4 -2.925 13.478 -9.297 1.00 14.46 C ATOM 1448 CG2 VAL B 4 -3.469 12.739 -11.622 1.00 10.41 C ATOM 0 H VAL B 4 -1.470 16.010 -10.057 1.00 12.42 H new ATOM 0 HA VAL B 4 -0.597 13.781 -11.723 1.00 12.99 H new ATOM 0 HB VAL B 4 -1.688 12.211 -10.526 1.00 12.94 H new ATOM 0 HG11 VAL B 4 -3.537 12.660 -8.917 1.00 14.46 H new ATOM 0 HG12 VAL B 4 -2.120 13.687 -8.592 1.00 14.46 H new ATOM 0 HG13 VAL B 4 -3.543 14.368 -9.417 1.00 14.46 H new ATOM 0 HG21 VAL B 4 -4.070 11.932 -11.204 1.00 10.41 H new ATOM 0 HG22 VAL B 4 -4.096 13.618 -11.773 1.00 10.41 H new ATOM 0 HG23 VAL B 4 -3.051 12.423 -12.578 1.00 10.41 H new ATOM 1458 N GLU B 5 -2.509 14.556 -13.382 1.00 9.27 N ATOM 1459 CA GLU B 5 -3.263 15.334 -14.405 1.00 10.51 C ATOM 1460 C GLU B 5 -4.239 14.416 -15.126 1.00 10.00 C ATOM 1461 O GLU B 5 -3.852 13.519 -15.847 1.00 10.96 O ATOM 1462 CB GLU B 5 -2.283 15.929 -15.416 1.00 10.42 C ATOM 1463 CG GLU B 5 -1.756 17.258 -14.882 1.00 18.68 C ATOM 1464 CD GLU B 5 -0.894 17.935 -15.950 1.00 18.63 C ATOM 1465 OE1 GLU B 5 -1.138 17.693 -17.120 1.00 22.12 O ATOM 1466 OE2 GLU B 5 -0.005 18.683 -15.579 1.00 19.38 O ATOM 0 H GLU B 5 -2.242 13.613 -13.666 1.00 9.27 H new ATOM 0 HA GLU B 5 -3.814 16.137 -13.916 1.00 10.51 H new ATOM 0 HB2 GLU B 5 -1.457 15.239 -15.589 1.00 10.42 H new ATOM 0 HB3 GLU B 5 -2.778 16.080 -16.375 1.00 10.42 H new ATOM 0 HG2 GLU B 5 -2.588 17.906 -14.607 1.00 18.68 H new ATOM 0 HG3 GLU B 5 -1.169 17.091 -13.979 1.00 18.68 H new ATOM 1473 N ILE B 6 -5.505 14.641 -14.946 1.00 9.86 N ATOM 1474 CA ILE B 6 -6.505 13.781 -15.641 1.00 10.60 C ATOM 1475 C ILE B 6 -6.507 14.157 -17.131 1.00 10.16 C ATOM 1476 O ILE B 6 -7.047 15.172 -17.525 1.00 11.64 O ATOM 1477 CB ILE B 6 -7.902 13.969 -14.998 1.00 9.14 C ATOM 1478 CG1 ILE B 6 -8.174 12.797 -14.050 1.00 14.23 C ATOM 1479 CG2 ILE B 6 -9.000 14.002 -16.061 1.00 12.29 C ATOM 1480 CD1 ILE B 6 -8.013 13.255 -12.601 1.00 13.81 C ATOM 0 H ILE B 6 -5.893 15.375 -14.354 1.00 9.86 H new ATOM 0 HA ILE B 6 -6.245 12.727 -15.542 1.00 10.60 H new ATOM 0 HB ILE B 6 -7.908 14.917 -14.459 1.00 9.14 H new ATOM 0 HG12 ILE B 6 -9.182 12.414 -14.210 1.00 14.23 H new ATOM 0 HG13 ILE B 6 -7.485 11.979 -14.261 1.00 14.23 H new ATOM 0 HG21 ILE B 6 -9.969 14.135 -15.579 1.00 12.29 H new ATOM 0 HG22 ILE B 6 -8.819 14.830 -16.746 1.00 12.29 H new ATOM 0 HG23 ILE B 6 -8.997 13.064 -16.617 1.00 12.29 H new ATOM 0 HD11 ILE B 6 -8.208 12.418 -11.931 1.00 13.81 H new ATOM 0 HD12 ILE B 6 -6.997 13.616 -12.444 1.00 13.81 H new ATOM 0 HD13 ILE B 6 -8.720 14.058 -12.393 1.00 13.81 H new ATOM 1492 N LYS B 7 -5.893 13.347 -17.958 1.00 11.63 N ATOM 1493 CA LYS B 7 -5.842 13.651 -19.415 1.00 11.59 C ATOM 1494 C LYS B 7 -7.257 13.936 -19.923 1.00 12.98 C ATOM 1495 O LYS B 7 -8.224 13.599 -19.270 1.00 9.79 O ATOM 1496 CB LYS B 7 -5.257 12.438 -20.148 1.00 12.52 C ATOM 1497 CG LYS B 7 -3.986 11.971 -19.439 1.00 14.26 C ATOM 1498 CD LYS B 7 -3.101 13.178 -19.117 1.00 15.70 C ATOM 1499 CE LYS B 7 -2.592 13.802 -20.418 1.00 19.19 C ATOM 1500 NZ LYS B 7 -1.972 15.125 -20.126 1.00 25.43 N ATOM 0 H LYS B 7 -5.424 12.485 -17.681 1.00 11.63 H new ATOM 0 HA LYS B 7 -5.218 14.526 -19.597 1.00 11.59 H new ATOM 0 HB2 LYS B 7 -5.988 11.630 -20.175 1.00 12.52 H new ATOM 0 HB3 LYS B 7 -5.033 12.699 -21.182 1.00 12.52 H new ATOM 0 HG2 LYS B 7 -4.243 11.442 -18.522 1.00 14.26 H new ATOM 0 HG3 LYS B 7 -3.443 11.268 -20.071 1.00 14.26 H new ATOM 0 HD2 LYS B 7 -3.666 13.914 -18.545 1.00 15.70 H new ATOM 0 HD3 LYS B 7 -2.260 12.870 -18.496 1.00 15.70 H new ATOM 0 HE2 LYS B 7 -1.863 13.143 -20.889 1.00 19.19 H new ATOM 0 HE3 LYS B 7 -3.415 13.922 -21.123 1.00 19.19 H new ATOM 0 HZ1 LYS B 7 -1.626 15.549 -21.010 1.00 25.43 H new ATOM 0 HZ2 LYS B 7 -2.680 15.753 -19.695 1.00 25.43 H new ATOM 0 HZ3 LYS B 7 -1.176 14.998 -19.469 1.00 25.43 H new ATOM 1514 N PRO B 8 -7.340 14.541 -21.082 1.00 13.56 N ATOM 1515 CA PRO B 8 -8.633 14.869 -21.700 1.00 11.93 C ATOM 1516 C PRO B 8 -9.285 13.591 -22.223 1.00 10.20 C ATOM 1517 O PRO B 8 -10.456 13.560 -22.544 1.00 12.05 O ATOM 1518 CB PRO B 8 -8.265 15.835 -22.831 1.00 12.78 C ATOM 1519 CG PRO B 8 -6.773 15.584 -23.146 1.00 12.51 C ATOM 1520 CD PRO B 8 -6.164 14.940 -21.885 1.00 13.61 C ATOM 0 HA PRO B 8 -9.353 15.315 -21.014 1.00 11.93 H new ATOM 0 HB2 PRO B 8 -8.884 15.658 -23.711 1.00 12.78 H new ATOM 0 HB3 PRO B 8 -8.430 16.869 -22.529 1.00 12.78 H new ATOM 0 HG2 PRO B 8 -6.664 14.927 -24.009 1.00 12.51 H new ATOM 0 HG3 PRO B 8 -6.265 16.517 -23.389 1.00 12.51 H new ATOM 0 HD2 PRO B 8 -5.542 14.081 -22.136 1.00 13.61 H new ATOM 0 HD3 PRO B 8 -5.531 15.643 -21.344 1.00 13.61 H new ATOM 1528 N SER B 9 -8.533 12.527 -22.278 1.00 10.65 N ATOM 1529 CA SER B 9 -9.100 11.234 -22.743 1.00 10.83 C ATOM 1530 C SER B 9 -9.548 10.429 -21.519 1.00 10.94 C ATOM 1531 O SER B 9 -9.990 9.303 -21.630 1.00 13.16 O ATOM 1532 CB SER B 9 -8.033 10.452 -23.509 1.00 13.01 C ATOM 1533 OG SER B 9 -7.102 11.362 -24.079 1.00 15.52 O ATOM 0 H SER B 9 -7.547 12.499 -22.020 1.00 10.65 H new ATOM 0 HA SER B 9 -9.949 11.414 -23.402 1.00 10.83 H new ATOM 0 HB2 SER B 9 -7.521 9.762 -22.839 1.00 13.01 H new ATOM 0 HB3 SER B 9 -8.497 9.851 -24.291 1.00 13.01 H new ATOM 0 HG SER B 9 -6.416 10.863 -24.569 1.00 15.52 H new ATOM 1539 N GLN B 10 -9.437 11.005 -20.350 1.00 10.02 N ATOM 1540 CA GLN B 10 -9.853 10.290 -19.115 1.00 11.55 C ATOM 1541 C GLN B 10 -10.825 11.174 -18.335 1.00 13.72 C ATOM 1542 O GLN B 10 -10.747 11.279 -17.130 1.00 17.31 O ATOM 1543 CB GLN B 10 -8.630 10.006 -18.242 1.00 6.60 C ATOM 1544 CG GLN B 10 -7.451 9.601 -19.124 1.00 7.20 C ATOM 1545 CD GLN B 10 -7.565 8.118 -19.483 1.00 10.36 C ATOM 1546 OE1 GLN B 10 -8.535 7.471 -19.144 1.00 13.01 O ATOM 1547 NE2 GLN B 10 -6.607 7.549 -20.162 1.00 4.80 N ATOM 0 H GLN B 10 -9.073 11.946 -20.201 1.00 10.02 H new ATOM 0 HA GLN B 10 -10.331 9.348 -19.385 1.00 11.55 H new ATOM 0 HB2 GLN B 10 -8.374 10.891 -17.659 1.00 6.60 H new ATOM 0 HB3 GLN B 10 -8.855 9.211 -17.531 1.00 6.60 H new ATOM 0 HG2 GLN B 10 -7.438 10.205 -20.031 1.00 7.20 H new ATOM 0 HG3 GLN B 10 -6.512 9.788 -18.603 1.00 7.20 H new ATOM 0 HE21 GLN B 10 -5.792 8.092 -20.447 1.00 4.80 H new ATOM 0 HE22 GLN B 10 -6.673 6.561 -20.408 1.00 4.80 H new ATOM 1556 N ALA B 11 -11.726 11.830 -19.012 1.00 15.28 N ATOM 1557 CA ALA B 11 -12.684 12.721 -18.295 1.00 18.95 C ATOM 1558 C ALA B 11 -14.014 11.998 -18.069 1.00 20.75 C ATOM 1559 O ALA B 11 -15.001 12.601 -17.699 1.00 24.78 O ATOM 1560 CB ALA B 11 -12.925 13.982 -19.127 1.00 17.72 C ATOM 0 H ALA B 11 -11.841 11.789 -20.025 1.00 15.28 H new ATOM 0 HA ALA B 11 -12.260 12.992 -17.328 1.00 18.95 H new ATOM 0 HB1 ALA B 11 -13.625 14.634 -18.605 1.00 17.72 H new ATOM 0 HB2 ALA B 11 -11.981 14.507 -19.274 1.00 17.72 H new ATOM 0 HB3 ALA B 11 -13.341 13.705 -20.096 1.00 17.72 H new ATOM 1566 N GLN B 12 -14.052 10.714 -18.287 1.00 22.50 N ATOM 1567 CA GLN B 12 -15.323 9.965 -18.081 1.00 25.43 C ATOM 1568 C GLN B 12 -15.048 8.653 -17.351 1.00 22.80 C ATOM 1569 O GLN B 12 -14.134 7.924 -17.683 1.00 20.93 O ATOM 1570 CB GLN B 12 -15.961 9.666 -19.433 1.00 30.18 C ATOM 1571 CG GLN B 12 -16.922 10.795 -19.784 1.00 42.11 C ATOM 1572 CD GLN B 12 -17.729 10.417 -21.027 1.00 46.61 C ATOM 1573 OE1 GLN B 12 -17.187 9.899 -21.983 1.00 46.27 O ATOM 1574 NE2 GLN B 12 -19.013 10.653 -21.055 1.00 47.90 N ATOM 0 H GLN B 12 -13.260 10.151 -18.598 1.00 22.50 H new ATOM 0 HA GLN B 12 -15.999 10.573 -17.480 1.00 25.43 H new ATOM 0 HB2 GLN B 12 -15.193 9.573 -20.200 1.00 30.18 H new ATOM 0 HB3 GLN B 12 -16.493 8.715 -19.397 1.00 30.18 H new ATOM 0 HG2 GLN B 12 -17.593 10.987 -18.947 1.00 42.11 H new ATOM 0 HG3 GLN B 12 -16.367 11.715 -19.965 1.00 42.11 H new ATOM 0 HE21 GLN B 12 -19.469 11.088 -20.253 1.00 47.90 H new ATOM 0 HE22 GLN B 12 -19.560 10.402 -21.879 1.00 47.90 H new ATOM 1583 N PHE B 13 -15.838 8.343 -16.360 1.00 21.61 N ATOM 1584 CA PHE B 13 -15.636 7.083 -15.610 1.00 20.51 C ATOM 1585 C PHE B 13 -16.335 5.941 -16.338 1.00 18.83 C ATOM 1586 O PHE B 13 -17.171 6.154 -17.192 1.00 18.83 O ATOM 1587 CB PHE B 13 -16.258 7.233 -14.231 1.00 19.56 C ATOM 1588 CG PHE B 13 -17.666 7.751 -14.408 1.00 19.62 C ATOM 1589 CD1 PHE B 13 -18.692 6.876 -14.778 1.00 15.55 C ATOM 1590 CD2 PHE B 13 -17.940 9.111 -14.215 1.00 20.50 C ATOM 1591 CE1 PHE B 13 -19.993 7.360 -14.952 1.00 14.07 C ATOM 1592 CE2 PHE B 13 -19.240 9.594 -14.389 1.00 20.75 C ATOM 1593 CZ PHE B 13 -20.266 8.719 -14.757 1.00 18.48 C ATOM 0 H PHE B 13 -16.619 8.916 -16.040 1.00 21.61 H new ATOM 0 HA PHE B 13 -14.570 6.870 -15.528 1.00 20.51 H new ATOM 0 HB2 PHE B 13 -16.267 6.275 -13.711 1.00 19.56 H new ATOM 0 HB3 PHE B 13 -15.672 7.921 -13.622 1.00 19.56 H new ATOM 0 HD1 PHE B 13 -18.480 5.828 -14.929 1.00 15.55 H new ATOM 0 HD2 PHE B 13 -17.147 9.787 -13.932 1.00 20.50 H new ATOM 0 HE1 PHE B 13 -20.787 6.685 -15.237 1.00 14.07 H new ATOM 0 HE2 PHE B 13 -19.452 10.642 -14.239 1.00 20.75 H new ATOM 0 HZ PHE B 13 -21.271 9.092 -14.891 1.00 18.48 H new ATOM 1603 N THR B 14 -16.013 4.730 -15.993 1.00 14.89 N ATOM 1604 CA THR B 14 -16.675 3.578 -16.651 1.00 13.37 C ATOM 1605 C THR B 14 -17.169 2.603 -15.584 1.00 11.97 C ATOM 1606 O THR B 14 -16.508 2.359 -14.594 1.00 10.76 O ATOM 1607 CB THR B 14 -15.685 2.864 -17.571 1.00 13.68 C ATOM 1608 OG1 THR B 14 -15.060 3.813 -18.423 1.00 13.48 O ATOM 1609 CG2 THR B 14 -16.430 1.829 -18.411 1.00 9.24 C ATOM 0 H THR B 14 -15.320 4.489 -15.284 1.00 14.89 H new ATOM 0 HA THR B 14 -17.518 3.937 -17.242 1.00 13.37 H new ATOM 0 HB THR B 14 -14.924 2.364 -16.972 1.00 13.68 H new ATOM 0 HG1 THR B 14 -14.424 3.355 -19.012 1.00 13.48 H new ATOM 0 HG21 THR B 14 -15.726 1.319 -19.068 1.00 9.24 H new ATOM 0 HG22 THR B 14 -16.906 1.101 -17.754 1.00 9.24 H new ATOM 0 HG23 THR B 14 -17.191 2.327 -19.012 1.00 9.24 H new ATOM 1617 N THR B 15 -18.328 2.045 -15.778 1.00 13.20 N ATOM 1618 CA THR B 15 -18.873 1.086 -14.783 1.00 12.54 C ATOM 1619 C THR B 15 -18.797 -0.332 -15.354 1.00 14.34 C ATOM 1620 O THR B 15 -19.443 -0.649 -16.333 1.00 17.35 O ATOM 1621 CB THR B 15 -20.332 1.439 -14.495 1.00 11.88 C ATOM 1622 OG1 THR B 15 -20.520 2.838 -14.657 1.00 17.15 O ATOM 1623 CG2 THR B 15 -20.680 1.039 -13.064 1.00 8.30 C ATOM 0 H THR B 15 -18.925 2.213 -16.588 1.00 13.20 H new ATOM 0 HA THR B 15 -18.293 1.140 -13.862 1.00 12.54 H new ATOM 0 HB THR B 15 -20.980 0.903 -15.188 1.00 11.88 H new ATOM 0 HG1 THR B 15 -21.456 3.066 -14.474 1.00 17.15 H new ATOM 0 HG21 THR B 15 -21.720 1.291 -12.859 1.00 8.30 H new ATOM 0 HG22 THR B 15 -20.535 -0.034 -12.941 1.00 8.30 H new ATOM 0 HG23 THR B 15 -20.033 1.574 -12.369 1.00 8.30 H new ATOM 1631 N ARG B 16 -18.015 -1.188 -14.757 1.00 15.28 N ATOM 1632 CA ARG B 16 -17.908 -2.580 -15.280 1.00 15.21 C ATOM 1633 C ARG B 16 -18.129 -3.576 -14.143 1.00 16.91 C ATOM 1634 O ARG B 16 -17.210 -4.223 -13.683 1.00 17.29 O ATOM 1635 CB ARG B 16 -16.521 -2.795 -15.889 1.00 15.77 C ATOM 1636 CG ARG B 16 -16.485 -2.202 -17.298 1.00 21.61 C ATOM 1637 CD ARG B 16 -17.215 -3.136 -18.264 1.00 24.15 C ATOM 1638 NE ARG B 16 -16.241 -3.703 -19.239 1.00 30.82 N ATOM 1639 CZ ARG B 16 -16.567 -4.739 -19.965 1.00 29.13 C ATOM 1640 NH1 ARG B 16 -17.747 -5.283 -19.840 1.00 34.38 N ATOM 1641 NH2 ARG B 16 -15.710 -5.230 -20.818 1.00 25.71 N ATOM 0 H ARG B 16 -17.448 -0.986 -13.934 1.00 15.28 H new ATOM 0 HA ARG B 16 -18.667 -2.735 -16.047 1.00 15.21 H new ATOM 0 HB2 ARG B 16 -15.761 -2.324 -15.265 1.00 15.77 H new ATOM 0 HB3 ARG B 16 -16.289 -3.859 -15.925 1.00 15.77 H new ATOM 0 HG2 ARG B 16 -16.955 -1.218 -17.302 1.00 21.61 H new ATOM 0 HG3 ARG B 16 -15.453 -2.064 -17.619 1.00 21.61 H new ATOM 0 HD2 ARG B 16 -17.702 -3.939 -17.711 1.00 24.15 H new ATOM 0 HD3 ARG B 16 -17.998 -2.591 -18.791 1.00 24.15 H new ATOM 0 HE ARG B 16 -15.318 -3.281 -19.340 1.00 30.82 H new ATOM 0 HH11 ARG B 16 -18.418 -4.899 -19.174 1.00 34.38 H new ATOM 0 HH12 ARG B 16 -17.999 -6.092 -20.408 1.00 34.38 H new ATOM 0 HH21 ARG B 16 -14.788 -4.805 -20.917 1.00 25.71 H new ATOM 0 HH22 ARG B 16 -15.962 -6.039 -21.386 1.00 25.71 H new ATOM 1655 N SER B 17 -19.349 -3.703 -13.698 1.00 22.35 N ATOM 1656 CA SER B 17 -19.660 -4.657 -12.593 1.00 28.62 C ATOM 1657 C SER B 17 -18.534 -4.640 -11.558 1.00 31.32 C ATOM 1658 O SER B 17 -17.583 -5.391 -11.645 1.00 33.90 O ATOM 1659 CB SER B 17 -19.804 -6.069 -13.164 1.00 30.78 C ATOM 1660 OG SER B 17 -21.178 -6.430 -13.184 1.00 38.77 O ATOM 0 H SER B 17 -20.151 -3.183 -14.055 1.00 22.35 H new ATOM 0 HA SER B 17 -20.592 -4.358 -12.114 1.00 28.62 H new ATOM 0 HB2 SER B 17 -19.391 -6.110 -14.172 1.00 30.78 H new ATOM 0 HB3 SER B 17 -19.239 -6.778 -12.559 1.00 30.78 H new ATOM 0 HG SER B 17 -21.273 -7.334 -13.551 1.00 38.77 H new ATOM 1666 N GLY B 18 -18.636 -3.789 -10.577 1.00 32.28 N ATOM 1667 CA GLY B 18 -17.577 -3.720 -9.532 1.00 32.82 C ATOM 1668 C GLY B 18 -17.911 -4.687 -8.396 1.00 34.58 C ATOM 1669 O GLY B 18 -19.057 -5.010 -8.161 1.00 34.04 O ATOM 0 H GLY B 18 -19.410 -3.136 -10.453 1.00 32.28 H new ATOM 0 HA2 GLY B 18 -16.609 -3.972 -9.964 1.00 32.82 H new ATOM 0 HA3 GLY B 18 -17.499 -2.704 -9.146 1.00 32.82 H new ATOM 1673 N VAL B 19 -16.918 -5.149 -7.686 1.00 36.31 N ATOM 1674 CA VAL B 19 -17.180 -6.089 -6.560 1.00 38.94 C ATOM 1675 C VAL B 19 -16.478 -5.571 -5.306 1.00 39.44 C ATOM 1676 O VAL B 19 -15.284 -5.344 -5.300 1.00 39.08 O ATOM 1677 CB VAL B 19 -16.645 -7.478 -6.911 1.00 39.83 C ATOM 1678 CG1 VAL B 19 -17.347 -8.530 -6.050 1.00 41.87 C ATOM 1679 CG2 VAL B 19 -16.908 -7.769 -8.391 1.00 39.95 C ATOM 0 H VAL B 19 -15.937 -4.916 -7.837 1.00 36.31 H new ATOM 0 HA VAL B 19 -18.253 -6.156 -6.381 1.00 38.94 H new ATOM 0 HB VAL B 19 -15.572 -7.511 -6.720 1.00 39.83 H new ATOM 0 HG11 VAL B 19 -16.965 -9.520 -6.301 1.00 41.87 H new ATOM 0 HG12 VAL B 19 -17.157 -8.324 -4.997 1.00 41.87 H new ATOM 0 HG13 VAL B 19 -18.420 -8.497 -6.238 1.00 41.87 H new ATOM 0 HG21 VAL B 19 -16.526 -8.759 -8.641 1.00 39.95 H new ATOM 0 HG22 VAL B 19 -17.980 -7.734 -8.584 1.00 39.95 H new ATOM 0 HG23 VAL B 19 -16.405 -7.021 -9.004 1.00 39.95 H new ATOM 1689 N SER B 20 -17.211 -5.372 -4.248 1.00 41.09 N ATOM 1690 CA SER B 20 -16.591 -4.855 -2.997 1.00 44.70 C ATOM 1691 C SER B 20 -15.453 -5.781 -2.562 1.00 47.21 C ATOM 1692 O SER B 20 -14.327 -5.640 -2.996 1.00 47.07 O ATOM 1693 CB SER B 20 -17.650 -4.788 -1.897 1.00 44.37 C ATOM 1694 OG SER B 20 -18.357 -3.559 -1.998 1.00 46.57 O ATOM 0 H SER B 20 -18.215 -5.545 -4.195 1.00 41.09 H new ATOM 0 HA SER B 20 -16.190 -3.858 -3.177 1.00 44.70 H new ATOM 0 HB2 SER B 20 -18.340 -5.626 -1.990 1.00 44.37 H new ATOM 0 HB3 SER B 20 -17.179 -4.870 -0.918 1.00 44.37 H new ATOM 0 HG SER B 20 -19.038 -3.515 -1.295 1.00 46.57 H new ATOM 1700 N ARG B 21 -15.733 -6.725 -1.706 1.00 50.78 N ATOM 1701 CA ARG B 21 -14.663 -7.653 -1.246 1.00 55.55 C ATOM 1702 C ARG B 21 -15.125 -9.098 -1.436 1.00 55.58 C ATOM 1703 O ARG B 21 -15.200 -9.865 -0.497 1.00 54.47 O ATOM 1704 CB ARG B 21 -14.371 -7.398 0.231 1.00 59.49 C ATOM 1705 CG ARG B 21 -13.106 -8.152 0.644 1.00 60.53 C ATOM 1706 CD ARG B 21 -12.969 -8.122 2.166 1.00 64.36 C ATOM 1707 NE ARG B 21 -11.798 -7.271 2.548 1.00 68.68 N ATOM 1708 CZ ARG B 21 -10.628 -7.433 1.984 1.00 71.11 C ATOM 1709 NH1 ARG B 21 -10.396 -8.463 1.213 1.00 70.71 N ATOM 1710 NH2 ARG B 21 -9.666 -6.589 2.239 1.00 71.56 N ATOM 0 H ARG B 21 -16.656 -6.893 -1.306 1.00 50.78 H new ATOM 0 HA ARG B 21 -13.758 -7.484 -1.829 1.00 55.55 H new ATOM 0 HB2 ARG B 21 -14.243 -6.330 0.407 1.00 59.49 H new ATOM 0 HB3 ARG B 21 -15.215 -7.723 0.840 1.00 59.49 H new ATOM 0 HG2 ARG B 21 -13.153 -9.183 0.293 1.00 60.53 H new ATOM 0 HG3 ARG B 21 -12.231 -7.697 0.180 1.00 60.53 H new ATOM 0 HD2 ARG B 21 -13.880 -7.727 2.616 1.00 64.36 H new ATOM 0 HD3 ARG B 21 -12.837 -9.134 2.549 1.00 64.36 H new ATOM 0 HE ARG B 21 -11.914 -6.551 3.261 1.00 68.68 H new ATOM 0 HH11 ARG B 21 -11.131 -9.151 1.046 1.00 70.71 H new ATOM 0 HH12 ARG B 21 -9.480 -8.579 0.779 1.00 70.71 H new ATOM 0 HH21 ARG B 21 -9.828 -5.808 2.875 1.00 71.56 H new ATOM 0 HH22 ARG B 21 -8.752 -6.710 1.802 1.00 71.56 H new ATOM 1724 N GLN B 22 -15.437 -9.476 -2.646 1.00 57.32 N ATOM 1725 CA GLN B 22 -15.897 -10.871 -2.894 1.00 58.73 C ATOM 1726 C GLN B 22 -17.111 -11.168 -2.013 1.00 58.18 C ATOM 1727 O GLN B 22 -17.459 -12.309 -1.781 1.00 59.52 O ATOM 1728 CB GLN B 22 -14.768 -11.849 -2.558 1.00 62.32 C ATOM 1729 CG GLN B 22 -13.622 -11.669 -3.556 1.00 65.12 C ATOM 1730 CD GLN B 22 -13.184 -13.037 -4.083 1.00 66.38 C ATOM 1731 OE1 GLN B 22 -12.971 -13.205 -5.267 1.00 66.60 O ATOM 1732 NE2 GLN B 22 -13.040 -14.029 -3.247 1.00 65.96 N ATOM 0 H GLN B 22 -15.393 -8.879 -3.472 1.00 57.32 H new ATOM 0 HA GLN B 22 -16.172 -10.984 -3.943 1.00 58.73 H new ATOM 0 HB2 GLN B 22 -14.411 -11.674 -1.543 1.00 62.32 H new ATOM 0 HB3 GLN B 22 -15.138 -12.874 -2.594 1.00 62.32 H new ATOM 0 HG2 GLN B 22 -13.942 -11.035 -4.383 1.00 65.12 H new ATOM 0 HG3 GLN B 22 -12.782 -11.167 -3.075 1.00 65.12 H new ATOM 0 HE21 GLN B 22 -13.219 -13.888 -2.253 1.00 65.96 H new ATOM 0 HE22 GLN B 22 -12.749 -14.945 -3.588 1.00 65.96 H new ATOM 1741 N GLY B 23 -17.759 -10.148 -1.520 1.00 55.49 N ATOM 1742 CA GLY B 23 -18.950 -10.368 -0.655 1.00 50.89 C ATOM 1743 C GLY B 23 -20.211 -9.950 -1.412 1.00 48.17 C ATOM 1744 O GLY B 23 -21.158 -10.703 -1.526 1.00 50.32 O ATOM 0 H GLY B 23 -17.514 -9.171 -1.680 1.00 55.49 H new ATOM 0 HA2 GLY B 23 -19.016 -11.417 -0.368 1.00 50.89 H new ATOM 0 HA3 GLY B 23 -18.857 -9.791 0.265 1.00 50.89 H new ATOM 1748 N LYS B 24 -20.230 -8.755 -1.934 1.00 44.99 N ATOM 1749 CA LYS B 24 -21.427 -8.290 -2.688 1.00 42.22 C ATOM 1750 C LYS B 24 -20.970 -7.530 -3.939 1.00 42.41 C ATOM 1751 O LYS B 24 -19.981 -6.825 -3.904 1.00 42.26 O ATOM 1752 CB LYS B 24 -22.261 -7.364 -1.800 1.00 40.33 C ATOM 1753 CG LYS B 24 -22.801 -8.152 -0.604 1.00 40.86 C ATOM 1754 CD LYS B 24 -24.138 -7.557 -0.159 1.00 37.00 C ATOM 1755 CE LYS B 24 -25.078 -8.682 0.278 1.00 36.58 C ATOM 1756 NZ LYS B 24 -26.298 -8.097 0.904 1.00 34.22 N ATOM 0 H LYS B 24 -19.468 -8.080 -1.871 1.00 44.99 H new ATOM 0 HA LYS B 24 -22.032 -9.147 -2.982 1.00 42.22 H new ATOM 0 HB2 LYS B 24 -21.652 -6.529 -1.454 1.00 40.33 H new ATOM 0 HB3 LYS B 24 -23.086 -6.940 -2.372 1.00 40.33 H new ATOM 0 HG2 LYS B 24 -22.930 -9.200 -0.874 1.00 40.86 H new ATOM 0 HG3 LYS B 24 -22.086 -8.120 0.218 1.00 40.86 H new ATOM 0 HD2 LYS B 24 -23.982 -6.859 0.664 1.00 37.00 H new ATOM 0 HD3 LYS B 24 -24.586 -6.991 -0.976 1.00 37.00 H new ATOM 0 HE2 LYS B 24 -25.355 -9.293 -0.581 1.00 36.58 H new ATOM 0 HE3 LYS B 24 -24.572 -9.338 0.986 1.00 36.58 H new ATOM 0 HZ1 LYS B 24 -26.937 -8.862 1.201 1.00 34.22 H new ATOM 0 HZ2 LYS B 24 -26.026 -7.532 1.733 1.00 34.22 H new ATOM 0 HZ3 LYS B 24 -26.784 -7.488 0.215 1.00 34.22 H new ATOM 1770 N PRO B 25 -21.702 -7.700 -5.012 1.00 42.36 N ATOM 1771 CA PRO B 25 -21.392 -7.045 -6.293 1.00 40.32 C ATOM 1772 C PRO B 25 -21.853 -5.585 -6.286 1.00 36.91 C ATOM 1773 O PRO B 25 -22.868 -5.247 -5.711 1.00 36.63 O ATOM 1774 CB PRO B 25 -22.184 -7.857 -7.315 1.00 42.73 C ATOM 1775 CG PRO B 25 -23.320 -8.546 -6.533 1.00 43.71 C ATOM 1776 CD PRO B 25 -22.902 -8.557 -5.051 1.00 44.10 C ATOM 0 HA PRO B 25 -20.323 -7.021 -6.506 1.00 40.32 H new ATOM 0 HB2 PRO B 25 -22.585 -7.212 -8.097 1.00 42.73 H new ATOM 0 HB3 PRO B 25 -21.547 -8.593 -7.805 1.00 42.73 H new ATOM 0 HG2 PRO B 25 -24.260 -8.010 -6.665 1.00 43.71 H new ATOM 0 HG3 PRO B 25 -23.478 -9.561 -6.897 1.00 43.71 H new ATOM 0 HD2 PRO B 25 -23.693 -8.166 -4.410 1.00 44.10 H new ATOM 0 HD3 PRO B 25 -22.682 -9.567 -4.706 1.00 44.10 H new ATOM 1784 N TYR B 26 -21.119 -4.720 -6.931 1.00 32.09 N ATOM 1785 CA TYR B 26 -21.518 -3.287 -6.974 1.00 27.86 C ATOM 1786 C TYR B 26 -21.122 -2.696 -8.327 1.00 26.29 C ATOM 1787 O TYR B 26 -20.048 -2.943 -8.831 1.00 28.07 O ATOM 1788 CB TYR B 26 -20.833 -2.517 -5.834 1.00 23.99 C ATOM 1789 CG TYR B 26 -19.359 -2.304 -6.125 1.00 24.09 C ATOM 1790 CD1 TYR B 26 -18.958 -1.407 -7.123 1.00 24.19 C ATOM 1791 CD2 TYR B 26 -18.395 -2.986 -5.371 1.00 24.63 C ATOM 1792 CE1 TYR B 26 -17.596 -1.198 -7.372 1.00 24.77 C ATOM 1793 CE2 TYR B 26 -17.032 -2.773 -5.619 1.00 24.84 C ATOM 1794 CZ TYR B 26 -16.634 -1.881 -6.619 1.00 24.25 C ATOM 1795 OH TYR B 26 -15.292 -1.672 -6.862 1.00 29.25 O ATOM 0 H TYR B 26 -20.259 -4.946 -7.431 1.00 32.09 H new ATOM 0 HA TYR B 26 -22.597 -3.203 -6.847 1.00 27.86 H new ATOM 0 HB2 TYR B 26 -21.323 -1.553 -5.697 1.00 23.99 H new ATOM 0 HB3 TYR B 26 -20.946 -3.067 -4.900 1.00 23.99 H new ATOM 0 HD1 TYR B 26 -19.700 -0.876 -7.701 1.00 24.19 H new ATOM 0 HD2 TYR B 26 -18.702 -3.676 -4.599 1.00 24.63 H new ATOM 0 HE1 TYR B 26 -17.288 -0.510 -8.145 1.00 24.77 H new ATOM 0 HE2 TYR B 26 -16.289 -3.298 -5.037 1.00 24.84 H new ATOM 0 HH TYR B 26 -14.759 -2.223 -6.251 1.00 29.25 H new ATOM 1805 N SER B 27 -21.986 -1.921 -8.924 1.00 24.52 N ATOM 1806 CA SER B 27 -21.656 -1.317 -10.246 1.00 22.20 C ATOM 1807 C SER B 27 -21.226 0.136 -10.040 1.00 20.52 C ATOM 1808 O SER B 27 -21.995 1.055 -10.237 1.00 23.07 O ATOM 1809 CB SER B 27 -22.890 -1.360 -11.148 1.00 25.30 C ATOM 1810 OG SER B 27 -22.978 -2.638 -11.764 1.00 29.25 O ATOM 0 H SER B 27 -22.905 -1.680 -8.554 1.00 24.52 H new ATOM 0 HA SER B 27 -20.846 -1.877 -10.714 1.00 22.20 H new ATOM 0 HB2 SER B 27 -23.789 -1.163 -10.564 1.00 25.30 H new ATOM 0 HB3 SER B 27 -22.826 -0.581 -11.908 1.00 25.30 H new ATOM 0 HG SER B 27 -23.769 -2.669 -12.342 1.00 29.25 H new ATOM 1816 N LEU B 28 -20.004 0.352 -9.635 1.00 18.57 N ATOM 1817 CA LEU B 28 -19.530 1.746 -9.407 1.00 16.31 C ATOM 1818 C LEU B 28 -18.866 2.287 -10.674 1.00 14.21 C ATOM 1819 O LEU B 28 -18.605 1.561 -11.613 1.00 16.97 O ATOM 1820 CB LEU B 28 -18.527 1.757 -8.254 1.00 16.48 C ATOM 1821 CG LEU B 28 -18.783 2.971 -7.361 1.00 22.19 C ATOM 1822 CD1 LEU B 28 -18.973 2.508 -5.914 1.00 24.00 C ATOM 1823 CD2 LEU B 28 -17.587 3.924 -7.440 1.00 22.01 C ATOM 0 H LEU B 28 -19.314 -0.377 -9.452 1.00 18.57 H new ATOM 0 HA LEU B 28 -20.381 2.379 -9.157 1.00 16.31 H new ATOM 0 HB2 LEU B 28 -18.617 0.840 -7.672 1.00 16.48 H new ATOM 0 HB3 LEU B 28 -17.510 1.788 -8.644 1.00 16.48 H new ATOM 0 HG LEU B 28 -19.682 3.488 -7.698 1.00 22.19 H new ATOM 0 HD11 LEU B 28 -19.156 3.373 -5.276 1.00 24.00 H new ATOM 0 HD12 LEU B 28 -19.824 1.830 -5.858 1.00 24.00 H new ATOM 0 HD13 LEU B 28 -18.075 1.991 -5.576 1.00 24.00 H new ATOM 0 HD21 LEU B 28 -17.769 4.790 -6.803 1.00 22.01 H new ATOM 0 HD22 LEU B 28 -16.688 3.408 -7.103 1.00 22.01 H new ATOM 0 HD23 LEU B 28 -17.452 4.253 -8.470 1.00 22.01 H new ATOM 1835 N ASN B 29 -18.594 3.562 -10.701 1.00 11.64 N ATOM 1836 CA ASN B 29 -17.947 4.172 -11.901 1.00 9.77 C ATOM 1837 C ASN B 29 -16.464 4.409 -11.606 1.00 7.94 C ATOM 1838 O ASN B 29 -16.109 4.947 -10.580 1.00 10.52 O ATOM 1839 CB ASN B 29 -18.621 5.513 -12.248 1.00 14.73 C ATOM 1840 CG ASN B 29 -19.503 6.006 -11.091 1.00 17.90 C ATOM 1841 OD1 ASN B 29 -20.264 5.250 -10.521 1.00 23.31 O ATOM 1842 ND2 ASN B 29 -19.445 7.260 -10.732 1.00 12.89 N ATOM 0 H ASN B 29 -18.792 4.212 -9.941 1.00 11.64 H new ATOM 0 HA ASN B 29 -18.055 3.494 -12.748 1.00 9.77 H new ATOM 0 HB2 ASN B 29 -17.859 6.259 -12.471 1.00 14.73 H new ATOM 0 HB3 ASN B 29 -19.227 5.397 -13.147 1.00 14.73 H new ATOM 0 HD21 ASN B 29 -20.037 7.602 -9.975 1.00 12.89 H new ATOM 0 HD22 ASN B 29 -18.807 7.898 -11.208 1.00 12.89 H new ATOM 1849 N GLU B 30 -15.593 4.005 -12.493 1.00 8.58 N ATOM 1850 CA GLU B 30 -14.131 4.206 -12.253 1.00 13.16 C ATOM 1851 C GLU B 30 -13.553 5.133 -13.329 1.00 12.26 C ATOM 1852 O GLU B 30 -14.003 5.143 -14.458 1.00 10.58 O ATOM 1853 CB GLU B 30 -13.418 2.854 -12.311 1.00 14.93 C ATOM 1854 CG GLU B 30 -13.418 2.216 -10.920 1.00 27.13 C ATOM 1855 CD GLU B 30 -14.007 0.806 -11.004 1.00 33.28 C ATOM 1856 OE1 GLU B 30 -13.268 -0.104 -11.340 1.00 38.01 O ATOM 1857 OE2 GLU B 30 -15.187 0.661 -10.729 1.00 40.03 O ATOM 0 H GLU B 30 -15.829 3.545 -13.372 1.00 8.58 H new ATOM 0 HA GLU B 30 -13.984 4.657 -11.272 1.00 13.16 H new ATOM 0 HB2 GLU B 30 -13.918 2.198 -13.024 1.00 14.93 H new ATOM 0 HB3 GLU B 30 -12.395 2.986 -12.662 1.00 14.93 H new ATOM 0 HG2 GLU B 30 -12.402 2.174 -10.528 1.00 27.13 H new ATOM 0 HG3 GLU B 30 -14.002 2.825 -10.229 1.00 27.13 H new ATOM 1864 N GLN B 31 -12.553 5.908 -12.991 1.00 10.34 N ATOM 1865 CA GLN B 31 -11.944 6.828 -13.999 1.00 9.46 C ATOM 1866 C GLN B 31 -10.433 6.597 -14.054 1.00 10.09 C ATOM 1867 O GLN B 31 -9.928 5.596 -13.584 1.00 9.36 O ATOM 1868 CB GLN B 31 -12.221 8.286 -13.606 1.00 7.25 C ATOM 1869 CG GLN B 31 -12.551 9.107 -14.856 1.00 10.62 C ATOM 1870 CD GLN B 31 -11.587 10.290 -14.944 1.00 8.77 C ATOM 1871 OE1 GLN B 31 -10.386 10.112 -14.909 1.00 8.56 O ATOM 1872 NE2 GLN B 31 -12.063 11.500 -15.060 1.00 12.39 N ATOM 0 H GLN B 31 -12.133 5.943 -12.062 1.00 10.34 H new ATOM 0 HA GLN B 31 -12.381 6.628 -14.977 1.00 9.46 H new ATOM 0 HB2 GLN B 31 -13.051 8.331 -12.901 1.00 7.25 H new ATOM 0 HB3 GLN B 31 -11.351 8.708 -13.102 1.00 7.25 H new ATOM 0 HG2 GLN B 31 -12.467 8.486 -15.748 1.00 10.62 H new ATOM 0 HG3 GLN B 31 -13.580 9.463 -14.812 1.00 10.62 H new ATOM 0 HE21 GLN B 31 -13.071 11.651 -15.090 1.00 12.39 H new ATOM 0 HE22 GLN B 31 -11.427 12.295 -15.121 1.00 12.39 H new ATOM 1881 N LEU B 32 -9.708 7.517 -14.629 1.00 6.80 N ATOM 1882 CA LEU B 32 -8.229 7.356 -14.723 1.00 10.34 C ATOM 1883 C LEU B 32 -7.544 8.685 -14.376 1.00 9.02 C ATOM 1884 O LEU B 32 -8.196 9.675 -14.112 1.00 11.15 O ATOM 1885 CB LEU B 32 -7.866 6.938 -16.148 1.00 10.20 C ATOM 1886 CG LEU B 32 -8.129 5.441 -16.324 1.00 16.38 C ATOM 1887 CD1 LEU B 32 -9.158 5.229 -17.438 1.00 17.42 C ATOM 1888 CD2 LEU B 32 -6.823 4.733 -16.694 1.00 15.89 C ATOM 0 H LEU B 32 -10.077 8.375 -15.039 1.00 6.80 H new ATOM 0 HA LEU B 32 -7.893 6.592 -14.022 1.00 10.34 H new ATOM 0 HB2 LEU B 32 -8.455 7.508 -16.867 1.00 10.20 H new ATOM 0 HB3 LEU B 32 -6.818 7.160 -16.347 1.00 10.20 H new ATOM 0 HG LEU B 32 -8.514 5.029 -15.391 1.00 16.38 H new ATOM 0 HD11 LEU B 32 -9.345 4.162 -17.563 1.00 17.42 H new ATOM 0 HD12 LEU B 32 -10.088 5.732 -17.174 1.00 17.42 H new ATOM 0 HD13 LEU B 32 -8.774 5.642 -18.371 1.00 17.42 H new ATOM 0 HD21 LEU B 32 -7.010 3.667 -16.819 1.00 15.89 H new ATOM 0 HD22 LEU B 32 -6.437 5.146 -17.626 1.00 15.89 H new ATOM 0 HD23 LEU B 32 -6.091 4.882 -15.900 1.00 15.89 H new ATOM 1900 N CYS B 33 -6.233 8.717 -14.367 1.00 9.68 N ATOM 1901 CA CYS B 33 -5.518 9.979 -14.030 1.00 8.10 C ATOM 1902 C CYS B 33 -4.026 9.784 -14.298 1.00 6.34 C ATOM 1903 O CYS B 33 -3.548 8.674 -14.413 1.00 8.02 O ATOM 1904 CB CYS B 33 -5.714 10.344 -12.550 1.00 8.88 C ATOM 1905 SG CYS B 33 -6.443 8.965 -11.626 1.00 13.84 S ATOM 0 H CYS B 33 -5.631 7.921 -14.579 1.00 9.68 H new ATOM 0 HA CYS B 33 -5.921 10.785 -14.643 1.00 8.10 H new ATOM 0 HB2 CYS B 33 -4.754 10.614 -12.109 1.00 8.88 H new ATOM 0 HB3 CYS B 33 -6.359 11.219 -12.471 1.00 8.88 H new ATOM 0 HG CYS B 33 -6.398 9.224 -10.353 1.00 13.84 H new ATOM 1911 N TYR B 34 -3.285 10.852 -14.400 1.00 7.35 N ATOM 1912 CA TYR B 34 -1.821 10.727 -14.664 1.00 7.08 C ATOM 1913 C TYR B 34 -1.054 11.274 -13.456 1.00 7.71 C ATOM 1914 O TYR B 34 -1.076 12.458 -13.194 1.00 7.80 O ATOM 1915 CB TYR B 34 -1.449 11.558 -15.896 1.00 8.67 C ATOM 1916 CG TYR B 34 -1.648 10.767 -17.174 1.00 9.11 C ATOM 1917 CD1 TYR B 34 -2.634 9.783 -17.264 1.00 13.61 C ATOM 1918 CD2 TYR B 34 -0.836 11.048 -18.284 1.00 12.44 C ATOM 1919 CE1 TYR B 34 -2.807 9.079 -18.460 1.00 17.22 C ATOM 1920 CE2 TYR B 34 -1.010 10.345 -19.474 1.00 16.38 C ATOM 1921 CZ TYR B 34 -1.993 9.362 -19.563 1.00 16.83 C ATOM 1922 OH TYR B 34 -2.165 8.666 -20.741 1.00 21.14 O ATOM 0 H TYR B 34 -3.629 11.808 -14.312 1.00 7.35 H new ATOM 0 HA TYR B 34 -1.569 9.681 -14.836 1.00 7.08 H new ATOM 0 HB2 TYR B 34 -2.059 12.461 -15.926 1.00 8.67 H new ATOM 0 HB3 TYR B 34 -0.410 11.878 -15.822 1.00 8.67 H new ATOM 0 HD1 TYR B 34 -3.262 9.566 -16.412 1.00 13.61 H new ATOM 0 HD2 TYR B 34 -0.075 11.811 -18.215 1.00 12.44 H new ATOM 0 HE1 TYR B 34 -3.569 8.317 -18.533 1.00 17.22 H new ATOM 0 HE2 TYR B 34 -0.384 10.562 -20.327 1.00 16.38 H new ATOM 0 HH TYR B 34 -1.521 8.985 -21.407 1.00 21.14 H new ATOM 1932 N VAL B 35 -0.383 10.435 -12.713 1.00 9.44 N ATOM 1933 CA VAL B 35 0.364 10.944 -11.524 1.00 10.66 C ATOM 1934 C VAL B 35 1.857 11.077 -11.844 1.00 10.57 C ATOM 1935 O VAL B 35 2.425 10.284 -12.569 1.00 8.31 O ATOM 1936 CB VAL B 35 0.180 9.986 -10.348 1.00 10.22 C ATOM 1937 CG1 VAL B 35 1.020 10.472 -9.165 1.00 7.97 C ATOM 1938 CG2 VAL B 35 -1.298 9.957 -9.947 1.00 9.86 C ATOM 0 H VAL B 35 -0.319 9.430 -12.874 1.00 9.44 H new ATOM 0 HA VAL B 35 -0.030 11.926 -11.262 1.00 10.66 H new ATOM 0 HB VAL B 35 0.500 8.984 -10.635 1.00 10.22 H new ATOM 0 HG11 VAL B 35 0.892 9.791 -8.324 1.00 7.97 H new ATOM 0 HG12 VAL B 35 2.071 10.500 -9.452 1.00 7.97 H new ATOM 0 HG13 VAL B 35 0.696 11.472 -8.875 1.00 7.97 H new ATOM 0 HG21 VAL B 35 -1.434 9.275 -9.108 1.00 9.86 H new ATOM 0 HG22 VAL B 35 -1.616 10.958 -9.656 1.00 9.86 H new ATOM 0 HG23 VAL B 35 -1.898 9.618 -10.792 1.00 9.86 H new ATOM 1948 N ASP B 36 2.494 12.077 -11.293 1.00 8.58 N ATOM 1949 CA ASP B 36 3.940 12.281 -11.533 1.00 11.48 C ATOM 1950 C ASP B 36 4.653 12.353 -10.178 1.00 12.38 C ATOM 1951 O ASP B 36 4.356 11.590 -9.281 1.00 11.89 O ATOM 1952 CB ASP B 36 4.150 13.582 -12.311 1.00 16.17 C ATOM 1953 CG ASP B 36 3.328 13.545 -13.600 1.00 17.97 C ATOM 1954 OD1 ASP B 36 2.152 13.232 -13.521 1.00 25.89 O ATOM 1955 OD2 ASP B 36 3.889 13.831 -14.646 1.00 15.67 O ATOM 0 H ASP B 36 2.061 12.767 -10.679 1.00 8.58 H new ATOM 0 HA ASP B 36 4.347 11.456 -12.117 1.00 11.48 H new ATOM 0 HB2 ASP B 36 3.851 14.435 -11.701 1.00 16.17 H new ATOM 0 HB3 ASP B 36 5.207 13.712 -12.545 1.00 16.17 H new ATOM 1960 N LEU B 37 5.584 13.257 -10.010 1.00 13.17 N ATOM 1961 CA LEU B 37 6.291 13.345 -8.701 1.00 18.47 C ATOM 1962 C LEU B 37 7.157 12.102 -8.527 1.00 21.14 C ATOM 1963 O LEU B 37 8.367 12.176 -8.454 1.00 24.24 O ATOM 1964 CB LEU B 37 5.266 13.404 -7.574 1.00 15.81 C ATOM 1965 CG LEU B 37 5.902 14.023 -6.325 1.00 20.59 C ATOM 1966 CD1 LEU B 37 7.308 13.455 -6.107 1.00 14.72 C ATOM 1967 CD2 LEU B 37 5.987 15.541 -6.502 1.00 20.01 C ATOM 0 H LEU B 37 5.882 13.931 -10.716 1.00 13.17 H new ATOM 0 HA LEU B 37 6.912 14.241 -8.674 1.00 18.47 H new ATOM 0 HB2 LEU B 37 4.404 13.994 -7.885 1.00 15.81 H new ATOM 0 HB3 LEU B 37 4.902 12.402 -7.349 1.00 15.81 H new ATOM 0 HG LEU B 37 5.288 13.784 -5.457 1.00 20.59 H new ATOM 0 HD11 LEU B 37 7.748 13.904 -5.216 1.00 14.72 H new ATOM 0 HD12 LEU B 37 7.248 12.374 -5.977 1.00 14.72 H new ATOM 0 HD13 LEU B 37 7.930 13.682 -6.973 1.00 14.72 H new ATOM 0 HD21 LEU B 37 6.439 15.986 -5.616 1.00 20.01 H new ATOM 0 HD22 LEU B 37 6.597 15.772 -7.375 1.00 20.01 H new ATOM 0 HD23 LEU B 37 4.985 15.948 -6.642 1.00 20.01 H new ATOM 1979 N GLY B 38 6.540 10.956 -8.475 1.00 20.70 N ATOM 1980 CA GLY B 38 7.310 9.698 -8.323 1.00 23.91 C ATOM 1981 C GLY B 38 7.692 9.189 -9.714 1.00 26.50 C ATOM 1982 O GLY B 38 7.923 8.013 -9.919 1.00 31.02 O ATOM 0 H GLY B 38 5.528 10.839 -8.532 1.00 20.70 H new ATOM 0 HA2 GLY B 38 8.205 9.872 -7.725 1.00 23.91 H new ATOM 0 HA3 GLY B 38 6.715 8.951 -7.797 1.00 23.91 H new ATOM 1986 N ASN B 39 7.751 10.075 -10.672 1.00 27.64 N ATOM 1987 CA ASN B 39 8.108 9.672 -12.058 1.00 30.27 C ATOM 1988 C ASN B 39 8.009 10.901 -12.966 1.00 26.79 C ATOM 1989 O ASN B 39 6.943 11.450 -13.165 1.00 26.87 O ATOM 1990 CB ASN B 39 7.146 8.584 -12.555 1.00 35.62 C ATOM 1991 CG ASN B 39 5.820 8.670 -11.793 1.00 41.31 C ATOM 1992 OD1 ASN B 39 5.364 9.746 -11.464 1.00 43.23 O ATOM 1993 ND2 ASN B 39 5.180 7.571 -11.495 1.00 39.63 N ATOM 0 H ASN B 39 7.565 11.070 -10.549 1.00 27.64 H new ATOM 0 HA ASN B 39 9.123 9.275 -12.075 1.00 30.27 H new ATOM 0 HB2 ASN B 39 6.969 8.704 -13.624 1.00 35.62 H new ATOM 0 HB3 ASN B 39 7.593 7.600 -12.414 1.00 35.62 H new ATOM 0 HD21 ASN B 39 4.297 7.617 -10.986 1.00 39.63 H new ATOM 0 HD22 ASN B 39 5.563 6.667 -11.771 1.00 39.63 H new ATOM 2000 N GLU B 40 9.116 11.343 -13.503 1.00 25.15 N ATOM 2001 CA GLU B 40 9.108 12.544 -14.387 1.00 23.81 C ATOM 2002 C GLU B 40 7.866 12.533 -15.269 1.00 21.12 C ATOM 2003 O GLU B 40 7.007 13.387 -15.170 1.00 19.86 O ATOM 2004 CB GLU B 40 10.360 12.538 -15.268 1.00 27.22 C ATOM 2005 CG GLU B 40 11.594 12.795 -14.403 1.00 34.87 C ATOM 2006 CD GLU B 40 12.652 11.729 -14.690 1.00 38.97 C ATOM 2007 OE1 GLU B 40 12.522 11.049 -15.695 1.00 42.34 O ATOM 2008 OE2 GLU B 40 13.574 11.609 -13.901 1.00 39.54 O ATOM 0 H GLU B 40 10.033 10.919 -13.365 1.00 25.15 H new ATOM 0 HA GLU B 40 9.099 13.442 -13.769 1.00 23.81 H new ATOM 0 HB2 GLU B 40 10.454 11.579 -15.778 1.00 27.22 H new ATOM 0 HB3 GLU B 40 10.278 13.303 -16.040 1.00 27.22 H new ATOM 0 HG2 GLU B 40 11.996 13.786 -14.611 1.00 34.87 H new ATOM 0 HG3 GLU B 40 11.321 12.776 -13.348 1.00 34.87 H new ATOM 2015 N HIS B 41 7.766 11.566 -16.121 1.00 5.26 N ATOM 2016 CA HIS B 41 6.578 11.476 -17.015 1.00 4.85 C ATOM 2017 C HIS B 41 5.351 11.140 -16.168 1.00 4.05 C ATOM 2018 O HIS B 41 5.483 10.694 -15.046 1.00 3.26 O ATOM 2019 CB HIS B 41 6.800 10.376 -18.055 1.00 5.17 C ATOM 2020 CG HIS B 41 7.543 10.940 -19.234 1.00 5.44 C ATOM 2021 ND1 HIS B 41 8.605 11.819 -19.087 1.00 5.82 N ATOM 2022 CD2 HIS B 41 7.392 10.758 -20.586 1.00 6.53 C ATOM 2023 CE1 HIS B 41 9.046 12.131 -20.319 1.00 7.31 C ATOM 2024 NE2 HIS B 41 8.342 11.511 -21.270 1.00 8.04 N ATOM 0 H HIS B 41 8.457 10.826 -16.243 1.00 5.26 H new ATOM 0 HA HIS B 41 6.427 12.426 -17.528 1.00 4.85 H new ATOM 0 HB2 HIS B 41 7.365 9.554 -17.615 1.00 5.17 H new ATOM 0 HB3 HIS B 41 5.842 9.967 -18.377 1.00 5.17 H new ATOM 0 HD2 HIS B 41 6.649 10.126 -21.049 1.00 6.53 H new ATOM 0 HE1 HIS B 41 9.870 12.802 -20.515 1.00 7.31 H new ATOM 0 HE2 HIS B 41 8.472 11.575 -22.280 1.00 8.04 H new ATOM 2032 N PRO B 42 4.190 11.362 -16.725 1.00 15.11 N ATOM 2033 CA PRO B 42 2.925 11.086 -16.032 1.00 16.08 C ATOM 2034 C PRO B 42 2.618 9.595 -16.066 1.00 17.92 C ATOM 2035 O PRO B 42 2.961 8.900 -17.001 1.00 17.13 O ATOM 2036 CB PRO B 42 1.886 11.845 -16.847 1.00 16.41 C ATOM 2037 CG PRO B 42 2.496 12.039 -18.254 1.00 13.79 C ATOM 2038 CD PRO B 42 4.025 11.901 -18.090 1.00 16.28 C ATOM 0 HA PRO B 42 2.948 11.384 -14.984 1.00 16.08 H new ATOM 0 HB2 PRO B 42 0.951 11.287 -16.902 1.00 16.41 H new ATOM 0 HB3 PRO B 42 1.657 12.806 -16.387 1.00 16.41 H new ATOM 0 HG2 PRO B 42 2.111 11.294 -18.950 1.00 13.79 H new ATOM 0 HG3 PRO B 42 2.236 13.017 -18.659 1.00 13.79 H new ATOM 0 HD2 PRO B 42 4.448 11.230 -18.838 1.00 16.28 H new ATOM 0 HD3 PRO B 42 4.527 12.862 -18.203 1.00 16.28 H new ATOM 2046 N VAL B 43 1.963 9.100 -15.062 1.00 16.29 N ATOM 2047 CA VAL B 43 1.624 7.661 -15.050 1.00 14.28 C ATOM 2048 C VAL B 43 0.111 7.503 -14.995 1.00 9.00 C ATOM 2049 O VAL B 43 -0.544 7.950 -14.075 1.00 7.99 O ATOM 2050 CB VAL B 43 2.261 6.994 -13.834 1.00 17.96 C ATOM 2051 CG1 VAL B 43 3.769 7.248 -13.841 1.00 18.07 C ATOM 2052 CG2 VAL B 43 1.649 7.577 -12.557 1.00 20.57 C ATOM 0 H VAL B 43 1.648 9.630 -14.250 1.00 16.29 H new ATOM 0 HA VAL B 43 2.005 7.187 -15.954 1.00 14.28 H new ATOM 0 HB VAL B 43 2.076 5.920 -13.870 1.00 17.96 H new ATOM 0 HG11 VAL B 43 4.222 6.771 -12.972 1.00 18.07 H new ATOM 0 HG12 VAL B 43 4.204 6.833 -14.751 1.00 18.07 H new ATOM 0 HG13 VAL B 43 3.957 8.321 -13.805 1.00 18.07 H new ATOM 0 HG21 VAL B 43 2.102 7.102 -11.687 1.00 20.57 H new ATOM 0 HG22 VAL B 43 1.834 8.651 -12.522 1.00 20.57 H new ATOM 0 HG23 VAL B 43 0.575 7.394 -12.552 1.00 20.57 H new ATOM 2062 N LEU B 44 -0.445 6.871 -15.985 1.00 10.19 N ATOM 2063 CA LEU B 44 -1.912 6.678 -16.016 1.00 11.55 C ATOM 2064 C LEU B 44 -2.314 5.650 -14.960 1.00 10.61 C ATOM 2065 O LEU B 44 -1.965 4.489 -15.040 1.00 13.49 O ATOM 2066 CB LEU B 44 -2.308 6.185 -17.402 1.00 10.60 C ATOM 2067 CG LEU B 44 -3.800 5.874 -17.428 1.00 13.48 C ATOM 2068 CD1 LEU B 44 -4.581 7.056 -16.854 1.00 15.65 C ATOM 2069 CD2 LEU B 44 -4.239 5.624 -18.873 1.00 20.21 C ATOM 0 H LEU B 44 0.060 6.478 -16.779 1.00 10.19 H new ATOM 0 HA LEU B 44 -2.420 7.618 -15.802 1.00 11.55 H new ATOM 0 HB2 LEU B 44 -2.071 6.942 -18.150 1.00 10.60 H new ATOM 0 HB3 LEU B 44 -1.736 5.293 -17.659 1.00 10.60 H new ATOM 0 HG LEU B 44 -3.997 4.986 -16.827 1.00 13.48 H new ATOM 0 HD11 LEU B 44 -5.647 6.831 -16.874 1.00 15.65 H new ATOM 0 HD12 LEU B 44 -4.267 7.235 -15.826 1.00 15.65 H new ATOM 0 HD13 LEU B 44 -4.387 7.946 -17.453 1.00 15.65 H new ATOM 0 HD21 LEU B 44 -5.306 5.401 -18.896 1.00 20.21 H new ATOM 0 HD22 LEU B 44 -4.041 6.513 -19.472 1.00 20.21 H new ATOM 0 HD23 LEU B 44 -3.683 4.780 -19.281 1.00 20.21 H new ATOM 2081 N VAL B 45 -3.044 6.074 -13.968 1.00 10.81 N ATOM 2082 CA VAL B 45 -3.471 5.131 -12.899 1.00 9.29 C ATOM 2083 C VAL B 45 -5.002 5.122 -12.812 1.00 9.95 C ATOM 2084 O VAL B 45 -5.666 6.003 -13.320 1.00 9.36 O ATOM 2085 CB VAL B 45 -2.857 5.570 -11.564 1.00 4.64 C ATOM 2086 CG1 VAL B 45 -3.672 6.716 -10.958 1.00 7.95 C ATOM 2087 CG2 VAL B 45 -2.841 4.385 -10.595 1.00 10.20 C ATOM 0 H VAL B 45 -3.364 7.035 -13.851 1.00 10.81 H new ATOM 0 HA VAL B 45 -3.128 4.122 -13.129 1.00 9.29 H new ATOM 0 HB VAL B 45 -1.838 5.915 -11.739 1.00 4.64 H new ATOM 0 HG11 VAL B 45 -3.226 7.018 -10.011 1.00 7.95 H new ATOM 0 HG12 VAL B 45 -3.675 7.563 -11.644 1.00 7.95 H new ATOM 0 HG13 VAL B 45 -4.696 6.384 -10.787 1.00 7.95 H new ATOM 0 HG21 VAL B 45 -2.405 4.697 -9.646 1.00 10.20 H new ATOM 0 HG22 VAL B 45 -3.861 4.037 -10.429 1.00 10.20 H new ATOM 0 HG23 VAL B 45 -2.246 3.576 -11.019 1.00 10.20 H new ATOM 2097 N LYS B 46 -5.565 4.125 -12.188 1.00 10.76 N ATOM 2098 CA LYS B 46 -7.052 4.050 -12.086 1.00 12.81 C ATOM 2099 C LYS B 46 -7.564 5.031 -11.027 1.00 13.35 C ATOM 2100 O LYS B 46 -6.801 5.647 -10.309 1.00 12.90 O ATOM 2101 CB LYS B 46 -7.461 2.627 -11.699 1.00 17.04 C ATOM 2102 CG LYS B 46 -8.508 2.108 -12.687 1.00 26.60 C ATOM 2103 CD LYS B 46 -7.929 2.129 -14.104 1.00 33.77 C ATOM 2104 CE LYS B 46 -7.834 0.700 -14.641 1.00 34.48 C ATOM 2105 NZ LYS B 46 -7.122 0.709 -15.950 1.00 36.74 N ATOM 0 H LYS B 46 -5.061 3.358 -11.744 1.00 10.76 H new ATOM 0 HA LYS B 46 -7.487 4.313 -13.050 1.00 12.81 H new ATOM 0 HB2 LYS B 46 -6.589 1.974 -11.701 1.00 17.04 H new ATOM 0 HB3 LYS B 46 -7.865 2.616 -10.687 1.00 17.04 H new ATOM 0 HG2 LYS B 46 -8.805 1.094 -12.419 1.00 26.60 H new ATOM 0 HG3 LYS B 46 -9.405 2.726 -12.640 1.00 26.60 H new ATOM 0 HD2 LYS B 46 -8.560 2.732 -14.757 1.00 33.77 H new ATOM 0 HD3 LYS B 46 -6.942 2.592 -14.098 1.00 33.77 H new ATOM 0 HE2 LYS B 46 -7.303 0.067 -13.930 1.00 34.48 H new ATOM 0 HE3 LYS B 46 -8.832 0.278 -14.760 1.00 34.48 H new ATOM 0 HZ1 LYS B 46 -7.057 -0.262 -16.316 1.00 36.74 H new ATOM 0 HZ2 LYS B 46 -7.647 1.300 -16.626 1.00 36.74 H new ATOM 0 HZ3 LYS B 46 -6.165 1.096 -15.822 1.00 36.74 H new ATOM 2119 N ILE B 47 -8.859 5.174 -10.931 1.00 13.96 N ATOM 2120 CA ILE B 47 -9.451 6.104 -9.932 1.00 16.93 C ATOM 2121 C ILE B 47 -10.941 5.766 -9.774 1.00 16.52 C ATOM 2122 O ILE B 47 -11.656 5.628 -10.746 1.00 17.67 O ATOM 2123 CB ILE B 47 -9.265 7.554 -10.424 1.00 19.74 C ATOM 2124 CG1 ILE B 47 -8.917 8.464 -9.246 1.00 19.39 C ATOM 2125 CG2 ILE B 47 -10.541 8.070 -11.092 1.00 18.08 C ATOM 2126 CD1 ILE B 47 -9.982 8.332 -8.157 1.00 18.26 C ATOM 0 H ILE B 47 -9.538 4.679 -11.510 1.00 13.96 H new ATOM 0 HA ILE B 47 -8.959 6.001 -8.965 1.00 16.93 H new ATOM 0 HB ILE B 47 -8.454 7.562 -11.152 1.00 19.74 H new ATOM 0 HG12 ILE B 47 -7.939 8.197 -8.845 1.00 19.39 H new ATOM 0 HG13 ILE B 47 -8.853 9.499 -9.581 1.00 19.39 H new ATOM 0 HG21 ILE B 47 -10.386 9.094 -11.431 1.00 18.08 H new ATOM 0 HG22 ILE B 47 -10.786 7.438 -11.946 1.00 18.08 H new ATOM 0 HG23 ILE B 47 -11.362 8.045 -10.376 1.00 18.08 H new ATOM 0 HD11 ILE B 47 -9.729 8.983 -7.320 1.00 18.26 H new ATOM 0 HD12 ILE B 47 -10.953 8.621 -8.560 1.00 18.26 H new ATOM 0 HD13 ILE B 47 -10.025 7.299 -7.813 1.00 18.26 H new ATOM 2138 N THR B 48 -11.417 5.632 -8.568 1.00 16.86 N ATOM 2139 CA THR B 48 -12.858 5.304 -8.379 1.00 16.59 C ATOM 2140 C THR B 48 -13.705 6.548 -8.658 1.00 19.04 C ATOM 2141 O THR B 48 -13.249 7.664 -8.526 1.00 22.56 O ATOM 2142 CB THR B 48 -13.093 4.835 -6.942 1.00 16.30 C ATOM 2143 OG1 THR B 48 -12.032 3.977 -6.547 1.00 17.90 O ATOM 2144 CG2 THR B 48 -14.420 4.079 -6.860 1.00 16.02 C ATOM 0 H THR B 48 -10.875 5.734 -7.710 1.00 16.86 H new ATOM 0 HA THR B 48 -13.143 4.509 -9.069 1.00 16.59 H new ATOM 0 HB THR B 48 -13.129 5.699 -6.279 1.00 16.30 H new ATOM 0 HG1 THR B 48 -12.261 3.050 -6.770 1.00 17.90 H new ATOM 0 HG21 THR B 48 -14.586 3.745 -5.836 1.00 16.02 H new ATOM 0 HG22 THR B 48 -15.234 4.738 -7.163 1.00 16.02 H new ATOM 0 HG23 THR B 48 -14.387 3.214 -7.522 1.00 16.02 H new ATOM 2152 N LEU B 49 -14.937 6.359 -9.046 1.00 18.35 N ATOM 2153 CA LEU B 49 -15.819 7.522 -9.339 1.00 18.82 C ATOM 2154 C LEU B 49 -17.071 7.433 -8.463 1.00 20.06 C ATOM 2155 O LEU B 49 -17.817 6.476 -8.524 1.00 18.35 O ATOM 2156 CB LEU B 49 -16.217 7.501 -10.822 1.00 18.79 C ATOM 2157 CG LEU B 49 -16.213 8.924 -11.370 1.00 18.24 C ATOM 2158 CD1 LEU B 49 -17.120 9.811 -10.513 1.00 20.41 C ATOM 2159 CD2 LEU B 49 -14.783 9.473 -11.342 1.00 14.50 C ATOM 0 H LEU B 49 -15.371 5.445 -9.173 1.00 18.35 H new ATOM 0 HA LEU B 49 -15.291 8.451 -9.125 1.00 18.82 H new ATOM 0 HB2 LEU B 49 -15.522 6.880 -11.387 1.00 18.79 H new ATOM 0 HB3 LEU B 49 -17.206 7.058 -10.938 1.00 18.79 H new ATOM 0 HG LEU B 49 -16.583 8.919 -12.395 1.00 18.24 H new ATOM 0 HD11 LEU B 49 -17.114 10.827 -10.908 1.00 20.41 H new ATOM 0 HD12 LEU B 49 -18.137 9.419 -10.534 1.00 20.41 H new ATOM 0 HD13 LEU B 49 -16.756 9.819 -9.486 1.00 20.41 H new ATOM 0 HD21 LEU B 49 -14.776 10.490 -11.733 1.00 14.50 H new ATOM 0 HD22 LEU B 49 -14.414 9.476 -10.316 1.00 14.50 H new ATOM 0 HD23 LEU B 49 -14.140 8.844 -11.957 1.00 14.50 H new ATOM 2171 N ASP B 50 -17.302 8.420 -7.640 1.00 22.62 N ATOM 2172 CA ASP B 50 -18.497 8.389 -6.749 1.00 27.04 C ATOM 2173 C ASP B 50 -19.760 8.167 -7.582 1.00 27.73 C ATOM 2174 O ASP B 50 -19.934 8.750 -8.634 1.00 26.65 O ATOM 2175 CB ASP B 50 -18.607 9.719 -6.001 1.00 29.11 C ATOM 2176 CG ASP B 50 -18.210 9.515 -4.537 1.00 30.37 C ATOM 2177 OD1 ASP B 50 -17.137 8.984 -4.304 1.00 33.99 O ATOM 2178 OD2 ASP B 50 -18.985 9.895 -3.675 1.00 30.76 O ATOM 0 H ASP B 50 -16.714 9.248 -7.546 1.00 22.62 H new ATOM 0 HA ASP B 50 -18.392 7.573 -6.034 1.00 27.04 H new ATOM 0 HB2 ASP B 50 -17.960 10.464 -6.464 1.00 29.11 H new ATOM 0 HB3 ASP B 50 -19.626 10.100 -6.063 1.00 29.11 H new ATOM 2183 N GLU B 51 -20.646 7.329 -7.116 1.00 31.16 N ATOM 2184 CA GLU B 51 -21.900 7.071 -7.875 1.00 34.22 C ATOM 2185 C GLU B 51 -22.639 8.392 -8.090 1.00 34.98 C ATOM 2186 O GLU B 51 -23.033 9.053 -7.150 1.00 34.19 O ATOM 2187 CB GLU B 51 -22.789 6.112 -7.081 1.00 38.24 C ATOM 2188 CG GLU B 51 -23.873 5.543 -7.997 1.00 46.84 C ATOM 2189 CD GLU B 51 -25.056 5.066 -7.153 1.00 51.38 C ATOM 2190 OE1 GLU B 51 -25.181 5.527 -6.030 1.00 54.92 O ATOM 2191 OE2 GLU B 51 -25.818 4.249 -7.644 1.00 53.83 O ATOM 0 H GLU B 51 -20.554 6.812 -6.241 1.00 31.16 H new ATOM 0 HA GLU B 51 -21.659 6.625 -8.840 1.00 34.22 H new ATOM 0 HB2 GLU B 51 -22.188 5.303 -6.665 1.00 38.24 H new ATOM 0 HB3 GLU B 51 -23.246 6.635 -6.241 1.00 38.24 H new ATOM 0 HG2 GLU B 51 -24.201 6.304 -8.705 1.00 46.84 H new ATOM 0 HG3 GLU B 51 -23.472 4.715 -8.581 1.00 46.84 H new ATOM 2198 N GLY B 52 -22.827 8.785 -9.319 1.00 34.53 N ATOM 2199 CA GLY B 52 -23.537 10.066 -9.589 1.00 34.93 C ATOM 2200 C GLY B 52 -22.516 11.200 -9.687 1.00 36.10 C ATOM 2201 O GLY B 52 -22.828 12.293 -10.118 1.00 35.97 O ATOM 0 H GLY B 52 -22.520 8.275 -10.147 1.00 34.53 H new ATOM 0 HA2 GLY B 52 -24.105 9.992 -10.516 1.00 34.93 H new ATOM 0 HA3 GLY B 52 -24.252 10.273 -8.793 1.00 34.93 H new ATOM 2205 N GLN B 53 -21.297 10.950 -9.293 1.00 36.52 N ATOM 2206 CA GLN B 53 -20.258 12.014 -9.366 1.00 35.40 C ATOM 2207 C GLN B 53 -19.737 12.117 -10.802 1.00 31.02 C ATOM 2208 O GLN B 53 -19.697 11.134 -11.516 1.00 29.05 O ATOM 2209 CB GLN B 53 -19.101 11.663 -8.428 1.00 41.20 C ATOM 2210 CG GLN B 53 -19.110 12.613 -7.228 1.00 47.61 C ATOM 2211 CD GLN B 53 -17.674 12.862 -6.762 1.00 53.32 C ATOM 2212 OE1 GLN B 53 -16.742 12.730 -7.531 1.00 53.91 O ATOM 2213 NE2 GLN B 53 -17.455 13.220 -5.526 1.00 54.76 N ATOM 0 H GLN B 53 -20.977 10.055 -8.924 1.00 36.52 H new ATOM 0 HA GLN B 53 -20.692 12.968 -9.066 1.00 35.40 H new ATOM 0 HB2 GLN B 53 -19.194 10.631 -8.089 1.00 41.20 H new ATOM 0 HB3 GLN B 53 -18.152 11.740 -8.959 1.00 41.20 H new ATOM 0 HG2 GLN B 53 -19.583 13.556 -7.501 1.00 47.61 H new ATOM 0 HG3 GLN B 53 -19.698 12.185 -6.416 1.00 47.61 H new ATOM 0 HE21 GLN B 53 -18.237 13.331 -4.881 1.00 54.76 H new ATOM 0 HE22 GLN B 53 -16.502 13.389 -5.205 1.00 54.76 H new ATOM 2222 N PRO B 54 -19.352 13.308 -11.181 1.00 27.43 N ATOM 2223 CA PRO B 54 -18.824 13.579 -12.528 1.00 23.44 C ATOM 2224 C PRO B 54 -17.376 13.095 -12.640 1.00 20.14 C ATOM 2225 O PRO B 54 -16.514 13.521 -11.898 1.00 21.64 O ATOM 2226 CB PRO B 54 -18.908 15.100 -12.650 1.00 24.39 C ATOM 2227 CG PRO B 54 -18.941 15.648 -11.208 1.00 27.18 C ATOM 2228 CD PRO B 54 -19.404 14.492 -10.303 1.00 28.37 C ATOM 0 HA PRO B 54 -19.375 13.067 -13.317 1.00 23.44 H new ATOM 0 HB2 PRO B 54 -18.051 15.494 -13.196 1.00 24.39 H new ATOM 0 HB3 PRO B 54 -19.801 15.397 -13.200 1.00 24.39 H new ATOM 0 HG2 PRO B 54 -17.956 16.004 -10.907 1.00 27.18 H new ATOM 0 HG3 PRO B 54 -19.623 16.495 -11.132 1.00 27.18 H new ATOM 0 HD2 PRO B 54 -18.751 14.376 -9.438 1.00 28.37 H new ATOM 0 HD3 PRO B 54 -20.411 14.662 -9.922 1.00 28.37 H new ATOM 2236 N ALA B 55 -17.111 12.201 -13.556 1.00 17.21 N ATOM 2237 CA ALA B 55 -15.730 11.672 -13.724 1.00 15.58 C ATOM 2238 C ALA B 55 -14.696 12.781 -13.508 1.00 16.41 C ATOM 2239 O ALA B 55 -14.915 13.926 -13.849 1.00 13.65 O ATOM 2240 CB ALA B 55 -15.582 11.113 -15.137 1.00 13.98 C ATOM 0 H ALA B 55 -17.800 11.813 -14.200 1.00 17.21 H new ATOM 0 HA ALA B 55 -15.559 10.888 -12.986 1.00 15.58 H new ATOM 0 HB1 ALA B 55 -14.573 10.723 -15.270 1.00 13.98 H new ATOM 0 HB2 ALA B 55 -16.304 10.311 -15.288 1.00 13.98 H new ATOM 0 HB3 ALA B 55 -15.763 11.906 -15.863 1.00 13.98 H new ATOM 2246 N TYR B 56 -13.566 12.440 -12.948 1.00 15.93 N ATOM 2247 CA TYR B 56 -12.508 13.462 -12.712 1.00 14.61 C ATOM 2248 C TYR B 56 -12.380 14.348 -13.953 1.00 15.51 C ATOM 2249 O TYR B 56 -11.845 13.943 -14.965 1.00 17.19 O ATOM 2250 CB TYR B 56 -11.178 12.755 -12.427 1.00 12.92 C ATOM 2251 CG TYR B 56 -11.257 12.097 -11.064 1.00 11.75 C ATOM 2252 CD1 TYR B 56 -11.873 10.847 -10.925 1.00 7.14 C ATOM 2253 CD2 TYR B 56 -10.737 12.748 -9.943 1.00 12.42 C ATOM 2254 CE1 TYR B 56 -11.967 10.251 -9.663 1.00 7.90 C ATOM 2255 CE2 TYR B 56 -10.828 12.152 -8.683 1.00 11.47 C ATOM 2256 CZ TYR B 56 -11.442 10.903 -8.541 1.00 10.29 C ATOM 2257 OH TYR B 56 -11.536 10.317 -7.295 1.00 12.03 O ATOM 0 H TYR B 56 -13.331 11.495 -12.644 1.00 15.93 H new ATOM 0 HA TYR B 56 -12.771 14.083 -11.856 1.00 14.61 H new ATOM 0 HB2 TYR B 56 -10.975 12.009 -13.195 1.00 12.92 H new ATOM 0 HB3 TYR B 56 -10.357 13.471 -12.453 1.00 12.92 H new ATOM 0 HD1 TYR B 56 -12.275 10.343 -11.792 1.00 7.14 H new ATOM 0 HD2 TYR B 56 -10.264 13.713 -10.051 1.00 12.42 H new ATOM 0 HE1 TYR B 56 -12.444 9.288 -9.554 1.00 7.90 H new ATOM 0 HE2 TYR B 56 -10.424 12.656 -7.817 1.00 11.47 H new ATOM 0 HH TYR B 56 -11.121 10.901 -6.627 1.00 12.03 H new ATOM 2267 N ALA B 57 -12.879 15.553 -13.885 1.00 13.38 N ATOM 2268 CA ALA B 57 -12.797 16.464 -15.062 1.00 14.95 C ATOM 2269 C ALA B 57 -11.334 16.644 -15.476 1.00 15.46 C ATOM 2270 O ALA B 57 -10.440 16.142 -14.825 1.00 17.82 O ATOM 2271 CB ALA B 57 -13.392 17.825 -14.695 1.00 14.98 C ATOM 0 H ALA B 57 -13.340 15.946 -13.064 1.00 13.38 H new ATOM 0 HA ALA B 57 -13.356 16.031 -15.892 1.00 14.95 H new ATOM 0 HB1 ALA B 57 -13.332 18.492 -15.555 1.00 14.98 H new ATOM 0 HB2 ALA B 57 -14.435 17.700 -14.404 1.00 14.98 H new ATOM 0 HB3 ALA B 57 -12.833 18.254 -13.864 1.00 14.98 H new ATOM 2277 N PRO B 58 -11.138 17.362 -16.553 1.00 15.20 N ATOM 2278 CA PRO B 58 -9.795 17.637 -17.092 1.00 16.55 C ATOM 2279 C PRO B 58 -9.117 18.744 -16.281 1.00 16.75 C ATOM 2280 O PRO B 58 -9.555 19.877 -16.274 1.00 17.28 O ATOM 2281 CB PRO B 58 -10.070 18.097 -18.526 1.00 15.65 C ATOM 2282 CG PRO B 58 -11.534 18.599 -18.551 1.00 14.16 C ATOM 2283 CD PRO B 58 -12.237 17.968 -17.334 1.00 13.96 C ATOM 0 HA PRO B 58 -9.128 16.776 -17.050 1.00 16.55 H new ATOM 0 HB2 PRO B 58 -9.382 18.891 -18.818 1.00 15.65 H new ATOM 0 HB3 PRO B 58 -9.928 17.278 -19.231 1.00 15.65 H new ATOM 0 HG2 PRO B 58 -11.571 19.687 -18.499 1.00 14.16 H new ATOM 0 HG3 PRO B 58 -12.028 18.307 -19.478 1.00 14.16 H new ATOM 0 HD2 PRO B 58 -12.773 18.717 -16.751 1.00 13.96 H new ATOM 0 HD3 PRO B 58 -12.968 17.219 -17.640 1.00 13.96 H new ATOM 2291 N GLY B 59 -8.055 18.425 -15.595 1.00 17.22 N ATOM 2292 CA GLY B 59 -7.358 19.461 -14.784 1.00 15.08 C ATOM 2293 C GLY B 59 -6.237 18.811 -13.971 1.00 14.96 C ATOM 2294 O GLY B 59 -6.071 17.610 -13.981 1.00 13.79 O ATOM 0 H GLY B 59 -7.640 17.494 -15.561 1.00 17.22 H new ATOM 0 HA2 GLY B 59 -6.947 20.232 -15.436 1.00 15.08 H new ATOM 0 HA3 GLY B 59 -8.067 19.952 -14.117 1.00 15.08 H new ATOM 2298 N LEU B 60 -5.471 19.595 -13.259 1.00 15.83 N ATOM 2299 CA LEU B 60 -4.372 19.017 -12.435 1.00 14.53 C ATOM 2300 C LEU B 60 -4.984 18.328 -11.219 1.00 14.15 C ATOM 2301 O LEU B 60 -5.979 18.775 -10.689 1.00 13.27 O ATOM 2302 CB LEU B 60 -3.443 20.140 -11.965 1.00 15.84 C ATOM 2303 CG LEU B 60 -2.234 20.229 -12.892 1.00 16.91 C ATOM 2304 CD1 LEU B 60 -2.602 21.042 -14.135 1.00 19.57 C ATOM 2305 CD2 LEU B 60 -1.078 20.914 -12.156 1.00 15.01 C ATOM 0 H LEU B 60 -5.560 20.610 -13.213 1.00 15.83 H new ATOM 0 HA LEU B 60 -3.802 18.300 -13.025 1.00 14.53 H new ATOM 0 HB2 LEU B 60 -3.979 21.089 -11.958 1.00 15.84 H new ATOM 0 HB3 LEU B 60 -3.116 19.951 -10.942 1.00 15.84 H new ATOM 0 HG LEU B 60 -1.931 19.226 -13.192 1.00 16.91 H new ATOM 0 HD11 LEU B 60 -1.738 21.106 -14.797 1.00 19.57 H new ATOM 0 HD12 LEU B 60 -3.425 20.555 -14.658 1.00 19.57 H new ATOM 0 HD13 LEU B 60 -2.905 22.046 -13.837 1.00 19.57 H new ATOM 0 HD21 LEU B 60 -0.213 20.978 -12.817 1.00 15.01 H new ATOM 0 HD22 LEU B 60 -1.381 21.917 -11.856 1.00 15.01 H new ATOM 0 HD23 LEU B 60 -0.816 20.334 -11.271 1.00 15.01 H new ATOM 2317 N TYR B 61 -4.412 17.245 -10.768 1.00 11.12 N ATOM 2318 CA TYR B 61 -4.991 16.553 -9.590 1.00 9.57 C ATOM 2319 C TYR B 61 -3.922 16.222 -8.571 1.00 11.76 C ATOM 2320 O TYR B 61 -2.742 16.186 -8.853 1.00 11.26 O ATOM 2321 CB TYR B 61 -5.679 15.261 -10.025 1.00 9.42 C ATOM 2322 CG TYR B 61 -7.030 15.612 -10.575 1.00 10.29 C ATOM 2323 CD1 TYR B 61 -7.140 16.109 -11.874 1.00 10.68 C ATOM 2324 CD2 TYR B 61 -8.167 15.475 -9.773 1.00 10.26 C ATOM 2325 CE1 TYR B 61 -8.391 16.469 -12.378 1.00 13.03 C ATOM 2326 CE2 TYR B 61 -9.418 15.839 -10.273 1.00 13.99 C ATOM 2327 CZ TYR B 61 -9.529 16.335 -11.574 1.00 11.06 C ATOM 2328 OH TYR B 61 -10.767 16.692 -12.074 1.00 14.61 O ATOM 0 H TYR B 61 -3.576 16.815 -11.163 1.00 11.12 H new ATOM 0 HA TYR B 61 -5.717 17.226 -9.134 1.00 9.57 H new ATOM 0 HB2 TYR B 61 -5.083 14.748 -10.780 1.00 9.42 H new ATOM 0 HB3 TYR B 61 -5.778 14.580 -9.180 1.00 9.42 H new ATOM 0 HD1 TYR B 61 -6.258 16.215 -12.489 1.00 10.68 H new ATOM 0 HD2 TYR B 61 -8.077 15.088 -8.769 1.00 10.26 H new ATOM 0 HE1 TYR B 61 -8.481 16.850 -13.385 1.00 13.03 H new ATOM 0 HE2 TYR B 61 -10.298 15.737 -9.655 1.00 13.99 H new ATOM 0 HH TYR B 61 -10.758 16.622 -13.051 1.00 14.61 H new ATOM 2338 N THR B 62 -4.357 15.946 -7.388 1.00 12.22 N ATOM 2339 CA THR B 62 -3.437 15.567 -6.305 1.00 14.26 C ATOM 2340 C THR B 62 -4.148 14.497 -5.511 1.00 15.40 C ATOM 2341 O THR B 62 -5.246 14.696 -5.029 1.00 16.24 O ATOM 2342 CB THR B 62 -3.137 16.766 -5.417 1.00 15.07 C ATOM 2343 OG1 THR B 62 -4.309 17.134 -4.703 1.00 18.36 O ATOM 2344 CG2 THR B 62 -2.675 17.930 -6.289 1.00 11.61 C ATOM 0 H THR B 62 -5.341 15.968 -7.120 1.00 12.22 H new ATOM 0 HA THR B 62 -2.486 15.210 -6.700 1.00 14.26 H new ATOM 0 HB THR B 62 -2.352 16.511 -4.705 1.00 15.07 H new ATOM 0 HG1 THR B 62 -4.783 16.326 -4.414 1.00 18.36 H new ATOM 0 HG21 THR B 62 -2.458 18.793 -5.659 1.00 11.61 H new ATOM 0 HG22 THR B 62 -1.775 17.642 -6.833 1.00 11.61 H new ATOM 0 HG23 THR B 62 -3.461 18.187 -6.999 1.00 11.61 H new ATOM 2352 N VAL B 63 -3.569 13.353 -5.398 1.00 14.65 N ATOM 2353 CA VAL B 63 -4.269 12.283 -4.664 1.00 15.17 C ATOM 2354 C VAL B 63 -4.626 12.786 -3.272 1.00 14.24 C ATOM 2355 O VAL B 63 -4.111 13.782 -2.806 1.00 19.13 O ATOM 2356 CB VAL B 63 -3.412 11.031 -4.591 1.00 15.23 C ATOM 2357 CG1 VAL B 63 -4.333 9.827 -4.414 1.00 14.85 C ATOM 2358 CG2 VAL B 63 -2.618 10.877 -5.894 1.00 18.64 C ATOM 0 H VAL B 63 -2.653 13.110 -5.775 1.00 14.65 H new ATOM 0 HA VAL B 63 -5.185 12.019 -5.193 1.00 15.17 H new ATOM 0 HB VAL B 63 -2.717 11.101 -3.755 1.00 15.23 H new ATOM 0 HG11 VAL B 63 -3.736 8.917 -4.359 1.00 14.85 H new ATOM 0 HG12 VAL B 63 -4.907 9.940 -3.494 1.00 14.85 H new ATOM 0 HG13 VAL B 63 -5.015 9.763 -5.262 1.00 14.85 H new ATOM 0 HG21 VAL B 63 -2.003 9.979 -5.841 1.00 18.64 H new ATOM 0 HG22 VAL B 63 -3.309 10.795 -6.733 1.00 18.64 H new ATOM 0 HG23 VAL B 63 -1.977 11.747 -6.035 1.00 18.64 H new ATOM 2368 N HIS B 64 -5.523 12.118 -2.617 1.00 13.31 N ATOM 2369 CA HIS B 64 -5.943 12.567 -1.263 1.00 10.78 C ATOM 2370 C HIS B 64 -5.716 11.435 -0.260 1.00 14.19 C ATOM 2371 O HIS B 64 -6.114 10.306 -0.486 1.00 11.59 O ATOM 2372 CB HIS B 64 -7.429 12.935 -1.295 1.00 11.86 C ATOM 2373 CG HIS B 64 -7.729 13.960 -0.233 1.00 13.39 C ATOM 2374 ND1 HIS B 64 -7.172 13.900 1.035 1.00 17.90 N ATOM 2375 CD2 HIS B 64 -8.546 15.065 -0.229 1.00 17.63 C ATOM 2376 CE1 HIS B 64 -7.659 14.930 1.744 1.00 19.32 C ATOM 2377 NE2 HIS B 64 -8.501 15.675 1.022 1.00 20.65 N ATOM 0 H HIS B 64 -5.987 11.277 -2.959 1.00 13.31 H new ATOM 0 HA HIS B 64 -5.358 13.437 -0.964 1.00 10.78 H new ATOM 0 HB2 HIS B 64 -7.694 13.328 -2.277 1.00 11.86 H new ATOM 0 HB3 HIS B 64 -8.036 12.044 -1.134 1.00 11.86 H new ATOM 0 HD2 HIS B 64 -9.133 15.408 -1.068 1.00 17.63 H new ATOM 0 HE1 HIS B 64 -7.402 15.132 2.773 1.00 19.32 H new ATOM 0 HE2 HIS B 64 -9.003 16.511 1.322 1.00 20.65 H new ATOM 2385 N LEU B 65 -5.086 11.730 0.848 1.00 12.93 N ATOM 2386 CA LEU B 65 -4.837 10.677 1.868 1.00 14.44 C ATOM 2387 C LEU B 65 -6.139 10.341 2.598 1.00 12.66 C ATOM 2388 O LEU B 65 -6.158 9.518 3.492 1.00 10.20 O ATOM 2389 CB LEU B 65 -3.793 11.168 2.871 1.00 14.94 C ATOM 2390 CG LEU B 65 -4.430 12.165 3.818 1.00 19.65 C ATOM 2391 CD1 LEU B 65 -4.438 11.580 5.230 1.00 15.75 C ATOM 2392 CD2 LEU B 65 -3.637 13.469 3.800 1.00 19.03 C ATOM 0 H LEU B 65 -4.734 12.657 1.087 1.00 12.93 H new ATOM 0 HA LEU B 65 -4.465 9.780 1.373 1.00 14.44 H new ATOM 0 HB2 LEU B 65 -3.388 10.326 3.432 1.00 14.94 H new ATOM 0 HB3 LEU B 65 -2.958 11.632 2.345 1.00 14.94 H new ATOM 0 HG LEU B 65 -5.454 12.369 3.504 1.00 19.65 H new ATOM 0 HD11 LEU B 65 -4.895 12.293 5.916 1.00 15.75 H new ATOM 0 HD12 LEU B 65 -5.010 10.652 5.236 1.00 15.75 H new ATOM 0 HD13 LEU B 65 -3.415 11.377 5.546 1.00 15.75 H new ATOM 0 HD21 LEU B 65 -4.097 14.184 4.482 1.00 19.03 H new ATOM 0 HD22 LEU B 65 -2.612 13.276 4.115 1.00 19.03 H new ATOM 0 HD23 LEU B 65 -3.635 13.880 2.790 1.00 19.03 H new ATOM 2404 N SER B 66 -7.237 10.942 2.215 1.00 13.51 N ATOM 2405 CA SER B 66 -8.516 10.608 2.887 1.00 10.39 C ATOM 2406 C SER B 66 -8.711 9.099 2.757 1.00 8.56 C ATOM 2407 O SER B 66 -9.464 8.482 3.484 1.00 11.70 O ATOM 2408 CB SER B 66 -9.668 11.342 2.198 1.00 12.88 C ATOM 2409 OG SER B 66 -10.865 10.593 2.360 1.00 14.72 O ATOM 0 H SER B 66 -7.298 11.641 1.474 1.00 13.51 H new ATOM 0 HA SER B 66 -8.497 10.908 3.935 1.00 10.39 H new ATOM 0 HB2 SER B 66 -9.788 12.338 2.625 1.00 12.88 H new ATOM 0 HB3 SER B 66 -9.449 11.474 1.139 1.00 12.88 H new ATOM 0 HG SER B 66 -11.606 11.061 1.921 1.00 14.72 H new ATOM 2415 N SER B 67 -8.020 8.508 1.815 1.00 7.98 N ATOM 2416 CA SER B 67 -8.127 7.045 1.590 1.00 8.20 C ATOM 2417 C SER B 67 -6.986 6.314 2.312 1.00 11.02 C ATOM 2418 O SER B 67 -6.947 5.100 2.352 1.00 11.45 O ATOM 2419 CB SER B 67 -8.031 6.765 0.092 1.00 8.01 C ATOM 2420 OG SER B 67 -8.832 7.706 -0.611 1.00 11.22 O ATOM 0 H SER B 67 -7.378 8.990 1.186 1.00 7.98 H new ATOM 0 HA SER B 67 -9.081 6.690 1.980 1.00 8.20 H new ATOM 0 HB2 SER B 67 -6.994 6.834 -0.237 1.00 8.01 H new ATOM 0 HB3 SER B 67 -8.367 5.751 -0.123 1.00 8.01 H new ATOM 0 HG SER B 67 -9.425 7.232 -1.231 1.00 11.22 H new ATOM 2426 N PHE B 68 -6.043 7.036 2.864 1.00 10.09 N ATOM 2427 CA PHE B 68 -4.901 6.368 3.554 1.00 11.79 C ATOM 2428 C PHE B 68 -5.299 6.012 4.987 1.00 12.69 C ATOM 2429 O PHE B 68 -6.246 6.543 5.532 1.00 14.25 O ATOM 2430 CB PHE B 68 -3.689 7.310 3.588 1.00 10.08 C ATOM 2431 CG PHE B 68 -3.397 7.856 2.205 1.00 11.89 C ATOM 2432 CD1 PHE B 68 -4.110 7.399 1.084 1.00 10.16 C ATOM 2433 CD2 PHE B 68 -2.429 8.855 2.053 1.00 12.12 C ATOM 2434 CE1 PHE B 68 -3.850 7.942 -0.176 1.00 9.89 C ATOM 2435 CE2 PHE B 68 -2.175 9.399 0.792 1.00 10.35 C ATOM 2436 CZ PHE B 68 -2.887 8.944 -0.321 1.00 11.87 C ATOM 0 H PHE B 68 -6.016 8.056 2.866 1.00 10.09 H new ATOM 0 HA PHE B 68 -4.642 5.460 3.009 1.00 11.79 H new ATOM 0 HB2 PHE B 68 -3.881 8.133 4.276 1.00 10.08 H new ATOM 0 HB3 PHE B 68 -2.817 6.776 3.965 1.00 10.08 H new ATOM 0 HD1 PHE B 68 -4.858 6.629 1.197 1.00 10.16 H new ATOM 0 HD2 PHE B 68 -1.877 9.206 2.912 1.00 12.12 H new ATOM 0 HE1 PHE B 68 -4.394 7.587 -1.039 1.00 9.89 H new ATOM 0 HE2 PHE B 68 -1.429 10.171 0.677 1.00 10.35 H new ATOM 0 HZ PHE B 68 -2.693 9.368 -1.295 1.00 11.87 H new ATOM 2446 N LYS B 69 -4.575 5.117 5.601 1.00 12.51 N ATOM 2447 CA LYS B 69 -4.897 4.723 7.001 1.00 15.38 C ATOM 2448 C LYS B 69 -3.656 4.109 7.651 1.00 15.02 C ATOM 2449 O LYS B 69 -2.671 3.835 6.994 1.00 15.36 O ATOM 2450 CB LYS B 69 -6.028 3.692 6.997 1.00 16.04 C ATOM 2451 CG LYS B 69 -5.898 2.797 5.763 1.00 20.35 C ATOM 2452 CD LYS B 69 -6.371 1.382 6.103 1.00 21.35 C ATOM 2453 CE LYS B 69 -5.517 0.362 5.346 1.00 30.24 C ATOM 2454 NZ LYS B 69 -6.195 -0.965 5.364 1.00 32.70 N ATOM 0 H LYS B 69 -3.772 4.640 5.192 1.00 12.51 H new ATOM 0 HA LYS B 69 -5.210 5.603 7.563 1.00 15.38 H new ATOM 0 HB2 LYS B 69 -5.987 3.088 7.903 1.00 16.04 H new ATOM 0 HB3 LYS B 69 -6.994 4.196 6.993 1.00 16.04 H new ATOM 0 HG2 LYS B 69 -6.491 3.202 4.943 1.00 20.35 H new ATOM 0 HG3 LYS B 69 -4.862 2.774 5.426 1.00 20.35 H new ATOM 0 HD2 LYS B 69 -6.295 1.210 7.177 1.00 21.35 H new ATOM 0 HD3 LYS B 69 -7.421 1.264 5.835 1.00 21.35 H new ATOM 0 HE2 LYS B 69 -5.365 0.691 4.318 1.00 30.24 H new ATOM 0 HE3 LYS B 69 -4.531 0.285 5.805 1.00 30.24 H new ATOM 0 HZ1 LYS B 69 -5.615 -1.658 4.850 1.00 32.70 H new ATOM 0 HZ2 LYS B 69 -6.318 -1.279 6.348 1.00 32.70 H new ATOM 0 HZ3 LYS B 69 -7.126 -0.885 4.907 1.00 32.70 H new ATOM 2468 N VAL B 70 -3.696 3.887 8.935 1.00 13.65 N ATOM 2469 CA VAL B 70 -2.518 3.285 9.622 1.00 13.49 C ATOM 2470 C VAL B 70 -2.941 1.980 10.298 1.00 11.85 C ATOM 2471 O VAL B 70 -3.768 1.970 11.189 1.00 12.13 O ATOM 2472 CB VAL B 70 -1.972 4.250 10.675 1.00 14.48 C ATOM 2473 CG1 VAL B 70 -0.452 4.097 10.767 1.00 14.02 C ATOM 2474 CG2 VAL B 70 -2.316 5.693 10.291 1.00 15.63 C ATOM 0 H VAL B 70 -4.492 4.096 9.538 1.00 13.65 H new ATOM 0 HA VAL B 70 -1.739 3.086 8.887 1.00 13.49 H new ATOM 0 HB VAL B 70 -2.424 4.019 11.640 1.00 14.48 H new ATOM 0 HG11 VAL B 70 -0.062 4.785 11.517 1.00 14.02 H new ATOM 0 HG12 VAL B 70 -0.206 3.073 11.050 1.00 14.02 H new ATOM 0 HG13 VAL B 70 -0.004 4.324 9.799 1.00 14.02 H new ATOM 0 HG21 VAL B 70 -1.924 6.374 11.046 1.00 15.63 H new ATOM 0 HG22 VAL B 70 -1.871 5.928 9.324 1.00 15.63 H new ATOM 0 HG23 VAL B 70 -3.398 5.805 10.229 1.00 15.63 H new ATOM 2484 N GLY B 71 -2.384 0.877 9.879 1.00 11.15 N ATOM 2485 CA GLY B 71 -2.758 -0.429 10.493 1.00 11.07 C ATOM 2486 C GLY B 71 -2.155 -0.532 11.895 1.00 12.15 C ATOM 2487 O GLY B 71 -1.627 0.426 12.425 1.00 12.70 O ATOM 0 H GLY B 71 -1.686 0.823 9.138 1.00 11.15 H new ATOM 0 HA2 GLY B 71 -3.843 -0.519 10.546 1.00 11.07 H new ATOM 0 HA3 GLY B 71 -2.400 -1.250 9.872 1.00 11.07 H new ATOM 2491 N GLN B 72 -2.232 -1.686 12.503 1.00 15.78 N ATOM 2492 CA GLN B 72 -1.666 -1.847 13.869 1.00 19.42 C ATOM 2493 C GLN B 72 -0.203 -2.278 13.767 1.00 16.97 C ATOM 2494 O GLN B 72 0.366 -2.826 14.690 1.00 20.46 O ATOM 2495 CB GLN B 72 -2.473 -2.904 14.632 1.00 22.64 C ATOM 2496 CG GLN B 72 -1.810 -3.188 15.982 1.00 25.29 C ATOM 2497 CD GLN B 72 -1.154 -4.571 15.951 1.00 26.29 C ATOM 2498 OE1 GLN B 72 -1.048 -5.228 16.968 1.00 26.22 O ATOM 2499 NE2 GLN B 72 -0.707 -5.046 14.819 1.00 25.15 N ATOM 0 H GLN B 72 -2.663 -2.523 12.110 1.00 15.78 H new ATOM 0 HA GLN B 72 -1.721 -0.899 14.404 1.00 19.42 H new ATOM 0 HB2 GLN B 72 -3.494 -2.555 14.784 1.00 22.64 H new ATOM 0 HB3 GLN B 72 -2.534 -3.821 14.046 1.00 22.64 H new ATOM 0 HG2 GLN B 72 -1.063 -2.425 16.199 1.00 25.29 H new ATOM 0 HG3 GLN B 72 -2.552 -3.144 16.779 1.00 25.29 H new ATOM 0 HE21 GLN B 72 -0.795 -4.496 13.965 1.00 25.15 H new ATOM 0 HE22 GLN B 72 -0.270 -5.967 14.790 1.00 25.15 H new ATOM 2508 N PHE B 73 0.407 -2.030 12.648 1.00 14.56 N ATOM 2509 CA PHE B 73 1.831 -2.417 12.469 1.00 14.60 C ATOM 2510 C PHE B 73 2.695 -1.158 12.366 1.00 15.63 C ATOM 2511 O PHE B 73 3.862 -1.220 12.033 1.00 17.80 O ATOM 2512 CB PHE B 73 1.973 -3.237 11.189 1.00 12.63 C ATOM 2513 CG PHE B 73 3.155 -4.161 11.320 1.00 14.99 C ATOM 2514 CD1 PHE B 73 4.442 -3.696 11.022 1.00 16.27 C ATOM 2515 CD2 PHE B 73 2.969 -5.483 11.742 1.00 19.79 C ATOM 2516 CE1 PHE B 73 5.542 -4.554 11.145 1.00 20.44 C ATOM 2517 CE2 PHE B 73 4.068 -6.340 11.864 1.00 18.68 C ATOM 2518 CZ PHE B 73 5.355 -5.876 11.566 1.00 17.88 C ATOM 0 H PHE B 73 -0.021 -1.573 11.843 1.00 14.56 H new ATOM 0 HA PHE B 73 2.158 -3.011 13.323 1.00 14.60 H new ATOM 0 HB2 PHE B 73 1.065 -3.812 11.009 1.00 12.63 H new ATOM 0 HB3 PHE B 73 2.106 -2.576 10.333 1.00 12.63 H new ATOM 0 HD1 PHE B 73 4.586 -2.676 10.697 1.00 16.27 H new ATOM 0 HD2 PHE B 73 1.977 -5.841 11.973 1.00 19.79 H new ATOM 0 HE1 PHE B 73 6.535 -4.196 10.915 1.00 20.44 H new ATOM 0 HE2 PHE B 73 3.924 -7.360 12.188 1.00 18.68 H new ATOM 0 HZ PHE B 73 6.203 -6.538 11.661 1.00 17.88 H new ATOM 2528 N GLY B 74 2.133 -0.015 12.650 1.00 13.82 N ATOM 2529 CA GLY B 74 2.923 1.246 12.567 1.00 13.44 C ATOM 2530 C GLY B 74 3.378 1.474 11.125 1.00 10.42 C ATOM 2531 O GLY B 74 4.554 1.610 10.849 1.00 13.62 O ATOM 0 H GLY B 74 1.161 0.100 12.936 1.00 13.82 H new ATOM 0 HA2 GLY B 74 2.319 2.088 12.906 1.00 13.44 H new ATOM 0 HA3 GLY B 74 3.789 1.189 13.227 1.00 13.44 H new ATOM 2535 N SER B 75 2.457 1.518 10.201 1.00 12.64 N ATOM 2536 CA SER B 75 2.839 1.737 8.777 1.00 12.47 C ATOM 2537 C SER B 75 1.642 2.296 8.004 1.00 12.47 C ATOM 2538 O SER B 75 0.601 1.675 7.919 1.00 11.32 O ATOM 2539 CB SER B 75 3.271 0.409 8.155 1.00 11.21 C ATOM 2540 OG SER B 75 3.973 -0.357 9.125 1.00 18.27 O ATOM 0 H SER B 75 1.457 1.412 10.371 1.00 12.64 H new ATOM 0 HA SER B 75 3.664 2.447 8.730 1.00 12.47 H new ATOM 0 HB2 SER B 75 2.399 -0.141 7.802 1.00 11.21 H new ATOM 0 HB3 SER B 75 3.906 0.590 7.288 1.00 11.21 H new ATOM 0 HG SER B 75 4.251 -1.210 8.730 1.00 18.27 H new ATOM 2546 N LEU B 76 1.782 3.465 7.438 1.00 12.43 N ATOM 2547 CA LEU B 76 0.652 4.061 6.669 1.00 12.18 C ATOM 2548 C LEU B 76 0.451 3.274 5.373 1.00 12.07 C ATOM 2549 O LEU B 76 1.361 2.643 4.873 1.00 9.82 O ATOM 2550 CB LEU B 76 0.974 5.519 6.337 1.00 11.99 C ATOM 2551 CG LEU B 76 -0.323 6.328 6.281 1.00 8.87 C ATOM 2552 CD1 LEU B 76 -0.253 7.477 7.289 1.00 9.28 C ATOM 2553 CD2 LEU B 76 -0.507 6.895 4.870 1.00 7.80 C ATOM 0 H LEU B 76 2.629 4.032 7.475 1.00 12.43 H new ATOM 0 HA LEU B 76 -0.259 4.019 7.266 1.00 12.18 H new ATOM 0 HB2 LEU B 76 1.643 5.935 7.090 1.00 11.99 H new ATOM 0 HB3 LEU B 76 1.494 5.579 5.381 1.00 11.99 H new ATOM 0 HG LEU B 76 -1.166 5.682 6.527 1.00 8.87 H new ATOM 0 HD11 LEU B 76 -1.177 8.053 7.249 1.00 9.28 H new ATOM 0 HD12 LEU B 76 -0.121 7.073 8.293 1.00 9.28 H new ATOM 0 HD13 LEU B 76 0.589 8.125 7.045 1.00 9.28 H new ATOM 0 HD21 LEU B 76 -1.431 7.472 4.827 1.00 7.80 H new ATOM 0 HD22 LEU B 76 0.336 7.541 4.625 1.00 7.80 H new ATOM 0 HD23 LEU B 76 -0.557 6.076 4.152 1.00 7.80 H new ATOM 2565 N MET B 77 -0.734 3.304 4.824 1.00 14.08 N ATOM 2566 CA MET B 77 -0.990 2.554 3.561 1.00 14.12 C ATOM 2567 C MET B 77 -2.281 3.061 2.913 1.00 11.37 C ATOM 2568 O MET B 77 -3.307 3.174 3.554 1.00 11.44 O ATOM 2569 CB MET B 77 -1.137 1.063 3.873 1.00 16.48 C ATOM 2570 CG MET B 77 0.240 0.458 4.149 1.00 24.75 C ATOM 2571 SD MET B 77 0.176 -1.333 3.891 1.00 35.11 S ATOM 2572 CE MET B 77 -0.497 -1.771 5.513 1.00 33.86 C ATOM 0 H MET B 77 -1.535 3.815 5.195 1.00 14.08 H new ATOM 0 HA MET B 77 -0.154 2.706 2.878 1.00 14.12 H new ATOM 0 HB2 MET B 77 -1.786 0.924 4.738 1.00 16.48 H new ATOM 0 HB3 MET B 77 -1.609 0.551 3.035 1.00 16.48 H new ATOM 0 HG2 MET B 77 0.984 0.905 3.489 1.00 24.75 H new ATOM 0 HG3 MET B 77 0.547 0.678 5.171 1.00 24.75 H new ATOM 0 HE1 MET B 77 -0.621 -2.852 5.576 1.00 33.86 H new ATOM 0 HE2 MET B 77 0.188 -1.438 6.293 1.00 33.86 H new ATOM 0 HE3 MET B 77 -1.464 -1.287 5.649 1.00 33.86 H new ATOM 2582 N ILE B 78 -2.237 3.361 1.644 1.00 11.78 N ATOM 2583 CA ILE B 78 -3.462 3.855 0.951 1.00 11.62 C ATOM 2584 C ILE B 78 -4.527 2.755 0.934 1.00 11.45 C ATOM 2585 O ILE B 78 -4.232 1.591 0.746 1.00 12.59 O ATOM 2586 CB ILE B 78 -3.129 4.214 -0.495 1.00 12.05 C ATOM 2587 CG1 ILE B 78 -2.210 5.437 -0.537 1.00 7.09 C ATOM 2588 CG2 ILE B 78 -4.424 4.516 -1.252 1.00 10.70 C ATOM 2589 CD1 ILE B 78 -0.868 5.042 -1.156 1.00 13.67 C ATOM 0 H ILE B 78 -1.407 3.286 1.057 1.00 11.78 H new ATOM 0 HA ILE B 78 -3.832 4.732 1.482 1.00 11.62 H new ATOM 0 HB ILE B 78 -2.617 3.374 -0.964 1.00 12.05 H new ATOM 0 HG12 ILE B 78 -2.672 6.233 -1.121 1.00 7.09 H new ATOM 0 HG13 ILE B 78 -2.058 5.827 0.470 1.00 7.09 H new ATOM 0 HG21 ILE B 78 -4.190 4.773 -2.285 1.00 10.70 H new ATOM 0 HG22 ILE B 78 -5.069 3.638 -1.234 1.00 10.70 H new ATOM 0 HG23 ILE B 78 -4.936 5.353 -0.777 1.00 10.70 H new ATOM 0 HD11 ILE B 78 -0.212 5.912 -1.187 1.00 13.67 H new ATOM 0 HD12 ILE B 78 -0.406 4.260 -0.554 1.00 13.67 H new ATOM 0 HD13 ILE B 78 -1.029 4.673 -2.169 1.00 13.67 H new ATOM 2601 N ASP B 79 -5.765 3.122 1.097 1.00 10.05 N ATOM 2602 CA ASP B 79 -6.863 2.111 1.058 1.00 14.79 C ATOM 2603 C ASP B 79 -7.602 2.264 -0.271 1.00 15.20 C ATOM 2604 O ASP B 79 -8.030 1.307 -0.885 1.00 18.10 O ATOM 2605 CB ASP B 79 -7.830 2.352 2.219 1.00 12.21 C ATOM 2606 CG ASP B 79 -8.652 1.087 2.472 1.00 17.52 C ATOM 2607 OD1 ASP B 79 -8.084 0.010 2.393 1.00 24.06 O ATOM 2608 OD2 ASP B 79 -9.835 1.216 2.739 1.00 21.87 O ATOM 0 H ASP B 79 -6.068 4.083 1.257 1.00 10.05 H new ATOM 0 HA ASP B 79 -6.454 1.105 1.149 1.00 14.79 H new ATOM 0 HB2 ASP B 79 -7.275 2.623 3.117 1.00 12.21 H new ATOM 0 HB3 ASP B 79 -8.491 3.187 1.988 1.00 12.21 H new ATOM 2613 N ARG B 80 -7.725 3.478 -0.715 1.00 17.08 N ATOM 2614 CA ARG B 80 -8.399 3.773 -2.008 1.00 17.14 C ATOM 2615 C ARG B 80 -8.143 5.241 -2.315 1.00 14.98 C ATOM 2616 O ARG B 80 -9.024 6.075 -2.258 1.00 16.47 O ATOM 2617 CB ARG B 80 -9.903 3.505 -1.897 1.00 17.78 C ATOM 2618 CG ARG B 80 -10.591 3.898 -3.207 1.00 22.76 C ATOM 2619 CD ARG B 80 -11.506 2.762 -3.664 1.00 28.43 C ATOM 2620 NE ARG B 80 -12.843 2.912 -3.022 1.00 33.10 N ATOM 2621 CZ ARG B 80 -13.868 2.240 -3.474 1.00 30.84 C ATOM 2622 NH1 ARG B 80 -13.725 1.428 -4.486 1.00 33.12 N ATOM 2623 NH2 ARG B 80 -15.037 2.378 -2.910 1.00 35.04 N ATOM 0 H ARG B 80 -7.378 4.302 -0.224 1.00 17.08 H new ATOM 0 HA ARG B 80 -8.011 3.137 -2.804 1.00 17.14 H new ATOM 0 HB2 ARG B 80 -10.080 2.451 -1.683 1.00 17.78 H new ATOM 0 HB3 ARG B 80 -10.324 4.074 -1.068 1.00 17.78 H new ATOM 0 HG2 ARG B 80 -11.170 4.811 -3.066 1.00 22.76 H new ATOM 0 HG3 ARG B 80 -9.845 4.108 -3.973 1.00 22.76 H new ATOM 0 HD2 ARG B 80 -11.608 2.777 -4.749 1.00 28.43 H new ATOM 0 HD3 ARG B 80 -11.069 1.799 -3.398 1.00 28.43 H new ATOM 0 HE ARG B 80 -12.958 3.541 -2.227 1.00 33.10 H new ATOM 0 HH11 ARG B 80 -12.811 1.317 -4.926 1.00 33.12 H new ATOM 0 HH12 ARG B 80 -14.527 0.904 -4.837 1.00 33.12 H new ATOM 0 HH21 ARG B 80 -15.149 3.010 -2.117 1.00 35.04 H new ATOM 0 HH22 ARG B 80 -15.838 1.854 -3.262 1.00 35.04 H new ATOM 2637 N LEU B 81 -6.911 5.541 -2.594 1.00 11.03 N ATOM 2638 CA LEU B 81 -6.479 6.937 -2.868 1.00 11.27 C ATOM 2639 C LEU B 81 -7.604 7.779 -3.487 1.00 15.61 C ATOM 2640 O LEU B 81 -8.074 7.518 -4.577 1.00 18.56 O ATOM 2641 CB LEU B 81 -5.250 6.893 -3.781 1.00 13.62 C ATOM 2642 CG LEU B 81 -5.667 6.918 -5.248 1.00 12.84 C ATOM 2643 CD1 LEU B 81 -4.413 6.857 -6.123 1.00 11.44 C ATOM 2644 CD2 LEU B 81 -6.554 5.701 -5.541 1.00 18.72 C ATOM 0 H LEU B 81 -6.159 4.854 -2.645 1.00 11.03 H new ATOM 0 HA LEU B 81 -6.224 7.422 -1.926 1.00 11.27 H new ATOM 0 HB2 LEU B 81 -4.602 7.743 -3.568 1.00 13.62 H new ATOM 0 HB3 LEU B 81 -4.672 5.992 -3.577 1.00 13.62 H new ATOM 0 HG LEU B 81 -6.221 7.832 -5.462 1.00 12.84 H new ATOM 0 HD11 LEU B 81 -4.701 6.874 -7.174 1.00 11.44 H new ATOM 0 HD12 LEU B 81 -3.777 7.715 -5.907 1.00 11.44 H new ATOM 0 HD13 LEU B 81 -3.866 5.938 -5.912 1.00 11.44 H new ATOM 0 HD21 LEU B 81 -6.855 5.714 -6.589 1.00 18.72 H new ATOM 0 HD22 LEU B 81 -5.997 4.787 -5.335 1.00 18.72 H new ATOM 0 HD23 LEU B 81 -7.441 5.736 -4.908 1.00 18.72 H new ATOM 2656 N ARG B 82 -8.023 8.806 -2.794 1.00 13.37 N ATOM 2657 CA ARG B 82 -9.092 9.691 -3.331 1.00 12.72 C ATOM 2658 C ARG B 82 -8.422 10.839 -4.085 1.00 13.33 C ATOM 2659 O ARG B 82 -7.737 11.656 -3.505 1.00 13.27 O ATOM 2660 CB ARG B 82 -9.925 10.251 -2.175 1.00 13.85 C ATOM 2661 CG ARG B 82 -11.412 10.048 -2.469 1.00 16.22 C ATOM 2662 CD ARG B 82 -12.244 10.761 -1.402 1.00 16.62 C ATOM 2663 NE ARG B 82 -13.473 11.328 -2.027 1.00 15.85 N ATOM 2664 CZ ARG B 82 -14.467 11.722 -1.277 1.00 17.96 C ATOM 2665 NH1 ARG B 82 -14.390 11.622 0.023 1.00 20.55 N ATOM 2666 NH2 ARG B 82 -15.541 12.217 -1.829 1.00 16.89 N ATOM 0 H ARG B 82 -7.667 9.069 -1.875 1.00 13.37 H new ATOM 0 HA ARG B 82 -9.748 9.132 -3.998 1.00 12.72 H new ATOM 0 HB2 ARG B 82 -9.656 9.751 -1.244 1.00 13.85 H new ATOM 0 HB3 ARG B 82 -9.712 11.311 -2.040 1.00 13.85 H new ATOM 0 HG2 ARG B 82 -11.655 10.439 -3.457 1.00 16.22 H new ATOM 0 HG3 ARG B 82 -11.650 8.984 -2.480 1.00 16.22 H new ATOM 0 HD2 ARG B 82 -12.515 10.063 -0.610 1.00 16.62 H new ATOM 0 HD3 ARG B 82 -11.658 11.556 -0.940 1.00 16.62 H new ATOM 0 HE ARG B 82 -13.538 11.408 -3.042 1.00 15.85 H new ATOM 0 HH11 ARG B 82 -13.551 11.235 0.456 1.00 20.55 H new ATOM 0 HH12 ARG B 82 -15.168 11.931 0.605 1.00 20.55 H new ATOM 0 HH21 ARG B 82 -15.603 12.295 -2.844 1.00 16.89 H new ATOM 0 HH22 ARG B 82 -16.319 12.525 -1.245 1.00 16.89 H new ATOM 2680 N LEU B 83 -8.586 10.891 -5.374 1.00 13.53 N ATOM 2681 CA LEU B 83 -7.927 11.969 -6.161 1.00 13.86 C ATOM 2682 C LEU B 83 -8.739 13.263 -6.105 1.00 13.02 C ATOM 2683 O LEU B 83 -9.939 13.264 -5.917 1.00 14.40 O ATOM 2684 CB LEU B 83 -7.765 11.522 -7.616 1.00 9.93 C ATOM 2685 CG LEU B 83 -6.962 12.564 -8.382 1.00 8.07 C ATOM 2686 CD1 LEU B 83 -5.475 12.399 -8.062 1.00 8.88 C ATOM 2687 CD2 LEU B 83 -7.188 12.375 -9.884 1.00 10.58 C ATOM 0 H LEU B 83 -9.147 10.235 -5.918 1.00 13.53 H new ATOM 0 HA LEU B 83 -6.946 12.161 -5.726 1.00 13.86 H new ATOM 0 HB2 LEU B 83 -7.260 10.557 -7.657 1.00 9.93 H new ATOM 0 HB3 LEU B 83 -8.743 11.390 -8.078 1.00 9.93 H new ATOM 0 HG LEU B 83 -7.286 13.563 -8.089 1.00 8.07 H new ATOM 0 HD11 LEU B 83 -4.900 13.145 -8.610 1.00 8.88 H new ATOM 0 HD12 LEU B 83 -5.316 12.533 -6.992 1.00 8.88 H new ATOM 0 HD13 LEU B 83 -5.148 11.401 -8.355 1.00 8.88 H new ATOM 0 HD21 LEU B 83 -6.614 13.120 -10.435 1.00 10.58 H new ATOM 0 HD22 LEU B 83 -6.864 11.377 -10.178 1.00 10.58 H new ATOM 0 HD23 LEU B 83 -8.248 12.493 -10.110 1.00 10.58 H new ATOM 2699 N VAL B 84 -8.066 14.368 -6.264 1.00 11.81 N ATOM 2700 CA VAL B 84 -8.729 15.690 -6.233 1.00 12.86 C ATOM 2701 C VAL B 84 -7.903 16.649 -7.098 1.00 14.98 C ATOM 2702 O VAL B 84 -6.710 16.474 -7.227 1.00 13.59 O ATOM 2703 CB VAL B 84 -8.753 16.186 -4.790 1.00 14.61 C ATOM 2704 CG1 VAL B 84 -9.525 15.194 -3.918 1.00 17.65 C ATOM 2705 CG2 VAL B 84 -7.318 16.314 -4.273 1.00 17.34 C ATOM 0 H VAL B 84 -7.058 14.405 -6.418 1.00 11.81 H new ATOM 0 HA VAL B 84 -9.749 15.630 -6.612 1.00 12.86 H new ATOM 0 HB VAL B 84 -9.243 17.159 -4.749 1.00 14.61 H new ATOM 0 HG11 VAL B 84 -9.541 15.550 -2.888 1.00 17.65 H new ATOM 0 HG12 VAL B 84 -10.547 15.104 -4.287 1.00 17.65 H new ATOM 0 HG13 VAL B 84 -9.038 14.220 -3.957 1.00 17.65 H new ATOM 0 HG21 VAL B 84 -7.333 16.668 -3.242 1.00 17.34 H new ATOM 0 HG22 VAL B 84 -6.828 15.341 -4.315 1.00 17.34 H new ATOM 0 HG23 VAL B 84 -6.770 17.024 -4.893 1.00 17.34 H new ATOM 2715 N PRO B 85 -8.546 17.638 -7.658 1.00 18.65 N ATOM 2716 CA PRO B 85 -7.863 18.633 -8.503 1.00 22.41 C ATOM 2717 C PRO B 85 -6.792 19.380 -7.696 1.00 25.70 C ATOM 2718 O PRO B 85 -6.969 19.671 -6.530 1.00 22.08 O ATOM 2719 CB PRO B 85 -8.994 19.539 -8.992 1.00 21.19 C ATOM 2720 CG PRO B 85 -10.159 19.315 -8.016 1.00 18.95 C ATOM 2721 CD PRO B 85 -9.985 17.880 -7.490 1.00 20.63 C ATOM 0 HA PRO B 85 -7.319 18.199 -9.342 1.00 22.41 H new ATOM 0 HB2 PRO B 85 -8.684 20.584 -8.998 1.00 21.19 H new ATOM 0 HB3 PRO B 85 -9.284 19.287 -10.012 1.00 21.19 H new ATOM 0 HG2 PRO B 85 -10.132 20.038 -7.201 1.00 18.95 H new ATOM 0 HG3 PRO B 85 -11.119 19.435 -8.517 1.00 18.95 H new ATOM 0 HD2 PRO B 85 -10.290 17.793 -6.447 1.00 20.63 H new ATOM 0 HD3 PRO B 85 -10.583 17.167 -8.057 1.00 20.63 H new ATOM 2729 N ALA B 86 -5.670 19.667 -8.306 1.00 31.74 N ATOM 2730 CA ALA B 86 -4.570 20.366 -7.580 1.00 39.94 C ATOM 2731 C ALA B 86 -4.936 21.837 -7.380 1.00 46.96 C ATOM 2732 O ALA B 86 -5.193 22.558 -8.324 1.00 49.29 O ATOM 2733 CB ALA B 86 -3.279 20.263 -8.399 1.00 39.70 C ATOM 0 H ALA B 86 -5.469 19.445 -9.281 1.00 31.74 H new ATOM 0 HA ALA B 86 -4.423 19.900 -6.606 1.00 39.94 H new ATOM 0 HB1 ALA B 86 -2.472 20.773 -7.872 1.00 39.70 H new ATOM 0 HB2 ALA B 86 -3.017 19.214 -8.535 1.00 39.70 H new ATOM 0 HB3 ALA B 86 -3.428 20.729 -9.373 1.00 39.70 H new ATOM 2739 N LYS B 87 -4.960 22.288 -6.156 1.00 51.78 N ATOM 2740 CA LYS B 87 -5.309 23.713 -5.893 1.00 55.12 C ATOM 2741 C LYS B 87 -4.130 24.607 -6.285 1.00 55.82 C ATOM 2742 O LYS B 87 -4.226 25.805 -6.076 1.00 58.05 O ATOM 2743 CB LYS B 87 -5.614 23.896 -4.405 1.00 52.96 C ATOM 2744 CG LYS B 87 -4.401 23.466 -3.578 1.00 55.49 C ATOM 2745 CD LYS B 87 -4.822 22.394 -2.571 1.00 56.64 C ATOM 2746 CE LYS B 87 -5.480 23.060 -1.361 1.00 58.91 C ATOM 2747 NZ LYS B 87 -6.610 22.214 -0.881 1.00 58.16 N ATOM 2748 OXT LYS B 87 -3.152 24.078 -6.786 1.00 57.66 O ATOM 0 H LYS B 87 -4.753 21.732 -5.327 1.00 51.78 H new ATOM 0 HA LYS B 87 -6.185 23.988 -6.481 1.00 55.12 H new ATOM 0 HB2 LYS B 87 -5.857 24.938 -4.198 1.00 52.96 H new ATOM 0 HB3 LYS B 87 -6.486 23.304 -4.126 1.00 52.96 H new ATOM 0 HG2 LYS B 87 -3.621 23.078 -4.233 1.00 55.49 H new ATOM 0 HG3 LYS B 87 -3.981 24.325 -3.056 1.00 55.49 H new ATOM 0 HD2 LYS B 87 -5.517 21.695 -3.037 1.00 56.64 H new ATOM 0 HD3 LYS B 87 -3.953 21.817 -2.254 1.00 56.64 H new ATOM 0 HE2 LYS B 87 -4.749 23.195 -0.564 1.00 58.91 H new ATOM 0 HE3 LYS B 87 -5.843 24.052 -1.631 1.00 58.91 H new ATOM 0 HZ1 LYS B 87 -7.057 22.667 -0.058 1.00 58.16 H new ATOM 0 HZ2 LYS B 87 -7.311 22.107 -1.642 1.00 58.16 H new ATOM 0 HZ3 LYS B 87 -6.251 21.277 -0.608 1.00 58.16 H new TER 2762 LYS B 87