USER MOD reduce.3.24.130724 H: found=0, std=0, add=1150, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 1150 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 GLN : amide:sc= -0.594 K(o=-0.82,f=0.32) USER MOD Set 1.2: B 29 ASN : amide:sc= 0.17 K(o=-0.82,f=0.003) USER MOD Set 1.3: B 31 GLN : amide:sc= -0.395 K(o=-0.82,f=0.003) USER MOD Set 1.4: B 47 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.367 K(o=-0.37,f=-4.3!) USER MOD Single : A 18 THR OG1 : rot -135:sc= -2.33! USER MOD Single : A 19 THR OG1 : rot 93:sc= 0.291 USER MOD Single : A 20 GLN : amide:sc= -1.14 K(o=-1.1,f=-2.8!) USER MOD Single : A 23 HIS : no HD1:sc= -3.64! C(o=-3.6!,f=-14!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl -114:sc= -0.128 (180deg=-1.28) USER MOD Single : A 28 SER OG : rot -120:sc= -0.285 USER MOD Single : A 29 ASN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 38 GLN : amide:sc= -1.1 K(o=-1.1,f=-0.29) USER MOD Single : A 40 SER OG : rot -62:sc= 0.0807 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 165:sc= -0.0219 (180deg=-0.216) USER MOD Single : A 50 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 169:sc=-0.00931 (180deg=-0.15) USER MOD Single : A 68 GLN : amide:sc= -0.0136 X(o=-0.014,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.0105 K(o=-0.011,f=-0.85) USER MOD Single : A 76 LYS NZ :NH3+ 160:sc= -0.055 (180deg=-0.393) USER MOD Single : A 78 ASN : amide:sc= -0.864 K(o=-0.86,f=-0.0056) USER MOD Single : B 17 GLN : amide:sc= -0.606 K(o=-0.61,f=-4.3!) USER MOD Single : B 18 THR OG1 : rot 50:sc= -2.64! USER MOD Single : B 19 THR OG1 : rot 92:sc= 0.301 USER MOD Single : B 20 GLN : amide:sc= -1.05 K(o=-1.1,f=-2.7!) USER MOD Single : B 23 HIS : no HD1:sc= -3.69! C(o=-3.7!,f=-14!) USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 28 SER OG : rot -110:sc= -0.144 USER MOD Single : B 38 GLN : amide:sc= -1.97 K(o=-2,f=-0.28) USER MOD Single : B 40 SER OG : rot -52:sc= 0.174 USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 LYS NZ :NH3+ 172:sc=-0.00504 (180deg=-0.086) USER MOD Single : B 50 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : B 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 65 LYS NZ :NH3+ 169:sc=-0.00732 (180deg=-0.127) USER MOD Single : B 68 GLN : amide:sc= -0.0102 X(o=-0.01,f=0) USER MOD Single : B 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 75 ASN : amide:sc=-0.00488 K(o=-0.0049,f=-0.85) USER MOD Single : B 76 LYS NZ :NH3+ 162:sc= -0.0503 (180deg=-0.336) USER MOD Single : B 78 ASN : amide:sc= -0.891 K(o=-0.89,f=-0.014) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 8 -6.730 -18.226 15.249 1.00 0.81 N ATOM 2 CA LEU A 8 -7.349 -18.720 13.998 1.00 0.78 C ATOM 3 C LEU A 8 -8.802 -19.173 14.267 1.00 0.78 C ATOM 4 O LEU A 8 -9.088 -20.320 14.604 1.00 0.80 O ATOM 5 CB LEU A 8 -6.482 -19.850 13.414 1.00 0.80 C ATOM 6 CG LEU A 8 -6.900 -20.365 12.024 1.00 0.78 C ATOM 7 CD1 LEU A 8 -5.690 -21.008 11.349 1.00 0.80 C ATOM 8 CD2 LEU A 8 -7.990 -21.440 12.072 1.00 0.78 C ATOM 0 HA LEU A 8 -7.397 -17.919 13.260 1.00 0.78 H new ATOM 0 HB2 LEU A 8 -5.452 -19.499 13.356 1.00 0.80 H new ATOM 0 HB3 LEU A 8 -6.494 -20.689 14.110 1.00 0.80 H new ATOM 0 HG LEU A 8 -7.286 -19.500 11.484 1.00 0.78 H new ATOM 0 HD11 LEU A 8 -5.976 -21.376 10.364 1.00 0.80 H new ATOM 0 HD12 LEU A 8 -4.896 -20.268 11.244 1.00 0.80 H new ATOM 0 HD13 LEU A 8 -5.333 -21.839 11.957 1.00 0.80 H new ATOM 0 HD21 LEU A 8 -8.234 -21.756 11.058 1.00 0.78 H new ATOM 0 HD22 LEU A 8 -7.631 -22.297 12.642 1.00 0.78 H new ATOM 0 HD23 LEU A 8 -8.881 -21.033 12.550 1.00 0.78 H new ATOM 20 N ARG A 9 -9.659 -18.170 14.341 1.00 0.76 N ATOM 21 CA ARG A 9 -11.095 -18.398 14.595 1.00 0.76 C ATOM 22 C ARG A 9 -11.967 -17.624 13.607 1.00 0.72 C ATOM 23 O ARG A 9 -12.651 -18.215 12.776 1.00 0.71 O ATOM 24 CB ARG A 9 -11.464 -18.131 16.066 1.00 0.79 C ATOM 25 CG ARG A 9 -11.136 -16.716 16.552 1.00 0.78 C ATOM 26 CD ARG A 9 -11.712 -16.446 17.939 1.00 0.82 C ATOM 27 NE ARG A 9 -11.445 -15.043 18.313 1.00 0.81 N ATOM 28 CZ ARG A 9 -10.279 -14.529 18.711 1.00 0.83 C ATOM 29 NH1 ARG A 9 -9.183 -15.274 18.806 1.00 0.84 N ATOM 30 NH2 ARG A 9 -10.208 -13.254 19.068 1.00 0.83 N ATOM 0 H ARG A 9 -9.400 -17.190 14.231 1.00 0.76 H new ATOM 0 HA ARG A 9 -11.301 -19.454 14.422 1.00 0.76 H new ATOM 0 HB2 ARG A 9 -12.531 -18.310 16.199 1.00 0.79 H new ATOM 0 HB3 ARG A 9 -10.940 -18.849 16.696 1.00 0.79 H new ATOM 0 HG2 ARG A 9 -10.055 -16.581 16.575 1.00 0.78 H new ATOM 0 HG3 ARG A 9 -11.533 -15.988 15.845 1.00 0.78 H new ATOM 0 HD2 ARG A 9 -12.785 -16.638 17.944 1.00 0.82 H new ATOM 0 HD3 ARG A 9 -11.265 -17.121 18.669 1.00 0.82 H new ATOM 0 HE ARG A 9 -12.234 -14.399 18.262 1.00 0.81 H new ATOM 0 HH11 ARG A 9 -9.219 -16.266 18.572 1.00 0.84 H new ATOM 0 HH12 ARG A 9 -8.306 -14.854 19.113 1.00 0.84 H new ATOM 0 HH21 ARG A 9 -11.043 -12.669 19.038 1.00 0.83 H new ATOM 0 HH22 ARG A 9 -9.319 -12.858 19.373 1.00 0.83 H new ATOM 44 N GLU A 10 -11.889 -16.293 13.688 1.00 0.70 N ATOM 45 CA GLU A 10 -12.741 -15.374 12.924 1.00 0.67 C ATOM 46 C GLU A 10 -12.020 -14.044 12.696 1.00 0.65 C ATOM 47 O GLU A 10 -11.609 -13.374 13.643 1.00 0.67 O ATOM 48 CB GLU A 10 -14.038 -15.100 13.691 1.00 0.69 C ATOM 49 CG GLU A 10 -14.912 -16.349 13.842 1.00 0.71 C ATOM 50 CD GLU A 10 -16.241 -16.084 14.552 1.00 0.73 C ATOM 51 OE1 GLU A 10 -16.730 -14.934 14.459 1.00 0.72 O ATOM 52 OE2 GLU A 10 -16.753 -17.047 15.157 1.00 0.76 O ATOM 0 H GLU A 10 -11.223 -15.815 14.295 1.00 0.70 H new ATOM 0 HA GLU A 10 -12.966 -15.838 11.964 1.00 0.67 H new ATOM 0 HB2 GLU A 10 -13.795 -14.710 14.679 1.00 0.69 H new ATOM 0 HB3 GLU A 10 -14.604 -14.326 13.173 1.00 0.69 H new ATOM 0 HG2 GLU A 10 -15.114 -16.763 12.854 1.00 0.71 H new ATOM 0 HG3 GLU A 10 -14.357 -17.105 14.397 1.00 0.71 H new ATOM 59 N LEU A 11 -11.756 -13.792 11.426 1.00 0.62 N ATOM 60 CA LEU A 11 -11.090 -12.557 10.981 1.00 0.60 C ATOM 61 C LEU A 11 -11.927 -11.861 9.908 1.00 0.57 C ATOM 62 O LEU A 11 -12.497 -12.507 9.026 1.00 0.56 O ATOM 63 CB LEU A 11 -9.705 -12.897 10.432 1.00 0.60 C ATOM 64 CG LEU A 11 -8.803 -13.484 11.517 1.00 0.63 C ATOM 65 CD1 LEU A 11 -8.252 -14.835 11.060 1.00 0.65 C ATOM 66 CD2 LEU A 11 -7.674 -12.511 11.855 1.00 0.64 C ATOM 0 H LEU A 11 -11.993 -14.430 10.666 1.00 0.62 H new ATOM 0 HA LEU A 11 -10.985 -11.880 11.829 1.00 0.60 H new ATOM 0 HB2 LEU A 11 -9.802 -13.609 9.613 1.00 0.60 H new ATOM 0 HB3 LEU A 11 -9.245 -11.999 10.021 1.00 0.60 H new ATOM 0 HG LEU A 11 -9.388 -13.642 12.423 1.00 0.63 H new ATOM 0 HD11 LEU A 11 -7.610 -15.248 11.838 1.00 0.65 H new ATOM 0 HD12 LEU A 11 -9.079 -15.520 10.870 1.00 0.65 H new ATOM 0 HD13 LEU A 11 -7.674 -14.702 10.145 1.00 0.65 H new ATOM 0 HD21 LEU A 11 -7.040 -12.944 12.629 1.00 0.64 H new ATOM 0 HD22 LEU A 11 -7.078 -12.321 10.962 1.00 0.64 H new ATOM 0 HD23 LEU A 11 -8.097 -11.573 12.215 1.00 0.64 H new ATOM 78 N ARG A 12 -11.960 -10.546 10.019 1.00 0.56 N ATOM 79 CA ARG A 12 -12.777 -9.692 9.137 1.00 0.54 C ATOM 80 C ARG A 12 -11.849 -8.984 8.158 1.00 0.51 C ATOM 81 O ARG A 12 -10.717 -8.639 8.504 1.00 0.51 O ATOM 82 CB ARG A 12 -13.526 -8.643 9.979 1.00 0.55 C ATOM 83 CG ARG A 12 -14.183 -9.183 11.258 1.00 0.59 C ATOM 84 CD ARG A 12 -15.045 -10.412 10.963 1.00 0.59 C ATOM 85 NE ARG A 12 -15.784 -10.849 12.147 1.00 0.63 N ATOM 86 CZ ARG A 12 -17.093 -10.675 12.239 1.00 0.65 C ATOM 87 NH1 ARG A 12 -17.593 -9.507 12.615 1.00 0.66 N ATOM 88 NH2 ARG A 12 -17.899 -11.704 12.049 1.00 0.66 N ATOM 0 H ARG A 12 -11.427 -10.028 10.718 1.00 0.56 H new ATOM 0 HA ARG A 12 -13.503 -10.300 8.598 1.00 0.54 H new ATOM 0 HB2 ARG A 12 -12.827 -7.854 10.254 1.00 0.55 H new ATOM 0 HB3 ARG A 12 -14.296 -8.185 9.359 1.00 0.55 H new ATOM 0 HG2 ARG A 12 -13.412 -9.442 11.984 1.00 0.59 H new ATOM 0 HG3 ARG A 12 -14.798 -8.405 11.710 1.00 0.59 H new ATOM 0 HD2 ARG A 12 -15.746 -10.181 10.161 1.00 0.59 H new ATOM 0 HD3 ARG A 12 -14.411 -11.225 10.609 1.00 0.59 H new ATOM 0 HE ARG A 12 -15.282 -11.295 12.915 1.00 0.63 H new ATOM 0 HH11 ARG A 12 -16.968 -8.732 12.837 1.00 0.66 H new ATOM 0 HH12 ARG A 12 -18.603 -9.383 12.683 1.00 0.66 H new ATOM 0 HH21 ARG A 12 -17.511 -12.623 11.834 1.00 0.66 H new ATOM 0 HH22 ARG A 12 -18.909 -11.580 12.118 1.00 0.66 H new ATOM 102 N CYS A 13 -12.342 -8.762 6.942 1.00 0.49 N ATOM 103 CA CYS A 13 -11.614 -7.956 5.947 1.00 0.47 C ATOM 104 C CYS A 13 -11.278 -6.576 6.537 1.00 0.47 C ATOM 105 O CYS A 13 -11.991 -6.071 7.402 1.00 0.48 O ATOM 106 CB CYS A 13 -12.483 -7.781 4.701 1.00 0.47 C ATOM 107 SG CYS A 13 -12.575 -9.262 3.628 1.00 0.48 S ATOM 0 H CYS A 13 -13.238 -9.124 6.616 1.00 0.49 H new ATOM 0 HA CYS A 13 -10.688 -8.465 5.679 1.00 0.47 H new ATOM 0 HB2 CYS A 13 -13.492 -7.509 5.012 1.00 0.47 H new ATOM 0 HB3 CYS A 13 -12.094 -6.947 4.116 1.00 0.47 H new ATOM 112 N VAL A 14 -10.179 -5.993 6.061 1.00 0.45 N ATOM 113 CA VAL A 14 -9.763 -4.638 6.506 1.00 0.45 C ATOM 114 C VAL A 14 -10.845 -3.581 6.189 1.00 0.44 C ATOM 115 O VAL A 14 -11.000 -2.588 6.893 1.00 0.45 O ATOM 116 CB VAL A 14 -8.361 -4.269 5.963 1.00 0.44 C ATOM 117 CG1 VAL A 14 -8.264 -4.122 4.442 1.00 0.43 C ATOM 118 CG2 VAL A 14 -7.816 -2.996 6.615 1.00 0.45 C ATOM 0 H VAL A 14 -9.558 -6.421 5.374 1.00 0.45 H new ATOM 0 HA VAL A 14 -9.668 -4.651 7.592 1.00 0.45 H new ATOM 0 HB VAL A 14 -7.753 -5.132 6.234 1.00 0.44 H new ATOM 0 HG11 VAL A 14 -7.242 -3.863 4.166 1.00 0.43 H new ATOM 0 HG12 VAL A 14 -8.540 -5.063 3.967 1.00 0.43 H new ATOM 0 HG13 VAL A 14 -8.941 -3.335 4.109 1.00 0.43 H new ATOM 0 HG21 VAL A 14 -6.831 -2.771 6.207 1.00 0.45 H new ATOM 0 HG22 VAL A 14 -8.491 -2.165 6.411 1.00 0.45 H new ATOM 0 HG23 VAL A 14 -7.737 -3.144 7.692 1.00 0.45 H new ATOM 128 N CYS A 15 -11.566 -3.836 5.102 1.00 0.44 N ATOM 129 CA CYS A 15 -12.665 -2.993 4.608 1.00 0.44 C ATOM 130 C CYS A 15 -13.984 -3.760 4.584 1.00 0.46 C ATOM 131 O CYS A 15 -14.177 -4.658 3.764 1.00 0.46 O ATOM 132 CB CYS A 15 -12.366 -2.534 3.185 1.00 0.43 C ATOM 133 SG CYS A 15 -11.077 -1.259 3.113 1.00 0.42 S ATOM 0 H CYS A 15 -11.402 -4.657 4.519 1.00 0.44 H new ATOM 0 HA CYS A 15 -12.752 -2.141 5.282 1.00 0.44 H new ATOM 0 HB2 CYS A 15 -12.055 -3.392 2.589 1.00 0.43 H new ATOM 0 HB3 CYS A 15 -13.279 -2.147 2.734 1.00 0.43 H new ATOM 138 N LEU A 16 -14.823 -3.446 5.561 1.00 0.48 N ATOM 139 CA LEU A 16 -16.183 -4.016 5.623 1.00 0.51 C ATOM 140 C LEU A 16 -17.202 -3.282 4.736 1.00 0.53 C ATOM 141 O LEU A 16 -18.107 -3.897 4.166 1.00 0.55 O ATOM 142 CB LEU A 16 -16.673 -4.084 7.074 1.00 0.54 C ATOM 143 CG LEU A 16 -15.852 -5.063 7.929 1.00 0.53 C ATOM 144 CD1 LEU A 16 -16.351 -5.020 9.374 1.00 0.57 C ATOM 145 CD2 LEU A 16 -15.928 -6.499 7.395 1.00 0.53 C ATOM 0 H LEU A 16 -14.598 -2.805 6.322 1.00 0.48 H new ATOM 0 HA LEU A 16 -16.108 -5.026 5.219 1.00 0.51 H new ATOM 0 HB2 LEU A 16 -16.623 -3.090 7.518 1.00 0.54 H new ATOM 0 HB3 LEU A 16 -17.720 -4.386 7.086 1.00 0.54 H new ATOM 0 HG LEU A 16 -14.808 -4.752 7.882 1.00 0.53 H new ATOM 0 HD11 LEU A 16 -15.769 -5.714 9.981 1.00 0.57 H new ATOM 0 HD12 LEU A 16 -16.237 -4.010 9.768 1.00 0.57 H new ATOM 0 HD13 LEU A 16 -17.403 -5.305 9.404 1.00 0.57 H new ATOM 0 HD21 LEU A 16 -15.333 -7.155 8.030 1.00 0.53 H new ATOM 0 HD22 LEU A 16 -16.965 -6.834 7.398 1.00 0.53 H new ATOM 0 HD23 LEU A 16 -15.540 -6.530 6.377 1.00 0.53 H new ATOM 157 N GLN A 17 -17.016 -1.986 4.608 1.00 0.53 N ATOM 158 CA GLN A 17 -17.876 -1.088 3.827 1.00 0.55 C ATOM 159 C GLN A 17 -17.116 -0.568 2.594 1.00 0.53 C ATOM 160 O GLN A 17 -15.947 -0.879 2.373 1.00 0.50 O ATOM 161 CB GLN A 17 -18.385 0.069 4.709 1.00 0.57 C ATOM 162 CG GLN A 17 -17.331 1.103 5.143 1.00 0.56 C ATOM 163 CD GLN A 17 -16.299 0.600 6.163 1.00 0.54 C ATOM 164 OE1 GLN A 17 -16.326 -0.481 6.725 1.00 0.54 O ATOM 165 NE2 GLN A 17 -15.333 1.434 6.452 1.00 0.53 N ATOM 0 H GLN A 17 -16.239 -1.500 5.056 1.00 0.53 H new ATOM 0 HA GLN A 17 -18.746 -1.642 3.475 1.00 0.55 H new ATOM 0 HB2 GLN A 17 -19.175 0.590 4.169 1.00 0.57 H new ATOM 0 HB3 GLN A 17 -18.838 -0.356 5.605 1.00 0.57 H new ATOM 0 HG2 GLN A 17 -16.801 1.451 4.256 1.00 0.56 H new ATOM 0 HG3 GLN A 17 -17.845 1.966 5.566 1.00 0.56 H new ATOM 0 HE21 GLN A 17 -15.291 2.344 5.994 1.00 0.53 H new ATOM 0 HE22 GLN A 17 -14.622 1.174 7.136 1.00 0.53 H new ATOM 174 N THR A 18 -17.816 0.270 1.852 1.00 0.56 N ATOM 175 CA THR A 18 -17.284 0.915 0.640 1.00 0.55 C ATOM 176 C THR A 18 -17.493 2.439 0.678 1.00 0.57 C ATOM 177 O THR A 18 -17.988 2.998 1.660 1.00 0.58 O ATOM 178 CB THR A 18 -17.933 0.239 -0.579 1.00 0.57 C ATOM 179 OG1 THR A 18 -17.316 0.746 -1.759 1.00 0.57 O ATOM 180 CG2 THR A 18 -19.456 0.421 -0.657 1.00 0.62 C ATOM 0 H THR A 18 -18.778 0.532 2.065 1.00 0.56 H new ATOM 0 HA THR A 18 -16.204 0.783 0.575 1.00 0.55 H new ATOM 0 HB THR A 18 -17.773 -0.834 -0.478 1.00 0.57 H new ATOM 0 HG1 THR A 18 -18.005 0.957 -2.423 1.00 0.57 H new ATOM 0 HG21 THR A 18 -19.838 -0.085 -1.544 1.00 0.62 H new ATOM 0 HG22 THR A 18 -19.920 -0.006 0.232 1.00 0.62 H new ATOM 0 HG23 THR A 18 -19.693 1.483 -0.715 1.00 0.62 H new ATOM 188 N THR A 19 -17.203 3.089 -0.444 1.00 0.57 N ATOM 189 CA THR A 19 -17.323 4.540 -0.654 1.00 0.59 C ATOM 190 C THR A 19 -17.439 4.852 -2.156 1.00 0.61 C ATOM 191 O THR A 19 -16.951 4.112 -3.019 1.00 0.60 O ATOM 192 CB THR A 19 -16.104 5.260 -0.034 1.00 0.56 C ATOM 193 OG1 THR A 19 -16.025 4.959 1.363 1.00 0.55 O ATOM 194 CG2 THR A 19 -16.147 6.785 -0.175 1.00 0.58 C ATOM 0 H THR A 19 -16.862 2.603 -1.273 1.00 0.57 H new ATOM 0 HA THR A 19 -18.226 4.901 -0.163 1.00 0.59 H new ATOM 0 HB THR A 19 -15.236 4.896 -0.584 1.00 0.56 H new ATOM 0 HG1 THR A 19 -15.445 4.181 1.498 1.00 0.55 H new ATOM 0 HG21 THR A 19 -15.258 7.218 0.284 1.00 0.58 H new ATOM 0 HG22 THR A 19 -16.176 7.052 -1.231 1.00 0.58 H new ATOM 0 HG23 THR A 19 -17.037 7.171 0.322 1.00 0.58 H new ATOM 202 N GLN A 20 -18.104 5.968 -2.418 1.00 0.65 N ATOM 203 CA GLN A 20 -18.318 6.539 -3.751 1.00 0.68 C ATOM 204 C GLN A 20 -17.905 8.013 -3.819 1.00 0.68 C ATOM 205 O GLN A 20 -18.711 8.945 -3.846 1.00 0.72 O ATOM 206 CB GLN A 20 -19.763 6.308 -4.232 1.00 0.72 C ATOM 207 CG GLN A 20 -20.890 6.995 -3.452 1.00 0.75 C ATOM 208 CD GLN A 20 -21.069 6.532 -2.004 1.00 0.74 C ATOM 209 OE1 GLN A 20 -20.594 5.518 -1.517 1.00 0.71 O ATOM 210 NE2 GLN A 20 -21.847 7.284 -1.270 1.00 0.76 N ATOM 0 H GLN A 20 -18.530 6.528 -1.680 1.00 0.65 H new ATOM 0 HA GLN A 20 -17.663 6.010 -4.443 1.00 0.68 H new ATOM 0 HB2 GLN A 20 -19.827 6.633 -5.271 1.00 0.72 H new ATOM 0 HB3 GLN A 20 -19.953 5.235 -4.221 1.00 0.72 H new ATOM 0 HG2 GLN A 20 -20.705 8.069 -3.451 1.00 0.75 H new ATOM 0 HG3 GLN A 20 -21.827 6.834 -3.985 1.00 0.75 H new ATOM 0 HE21 GLN A 20 -22.252 8.134 -1.662 1.00 0.76 H new ATOM 0 HE22 GLN A 20 -22.049 7.020 -0.306 1.00 0.76 H new ATOM 219 N GLY A 21 -16.584 8.192 -3.790 1.00 0.65 N ATOM 220 CA GLY A 21 -16.031 9.532 -3.970 1.00 0.65 C ATOM 221 C GLY A 21 -15.900 9.875 -5.470 1.00 0.68 C ATOM 222 O GLY A 21 -16.137 9.007 -6.301 1.00 0.69 O ATOM 0 H GLY A 21 -15.897 7.452 -3.648 1.00 0.65 H new ATOM 0 HA2 GLY A 21 -16.673 10.264 -3.480 1.00 0.65 H new ATOM 0 HA3 GLY A 21 -15.054 9.594 -3.492 1.00 0.65 H new ATOM 226 N VAL A 22 -15.373 11.020 -5.887 1.00 0.69 N ATOM 227 CA VAL A 22 -14.657 12.171 -5.258 1.00 0.68 C ATOM 228 C VAL A 22 -13.498 12.536 -6.211 1.00 0.67 C ATOM 229 O VAL A 22 -13.366 11.957 -7.287 1.00 0.68 O ATOM 230 CB VAL A 22 -14.148 11.959 -3.802 1.00 0.64 C ATOM 231 CG1 VAL A 22 -12.962 10.989 -3.663 1.00 0.60 C ATOM 232 CG2 VAL A 22 -13.933 13.271 -3.039 1.00 0.65 C ATOM 0 H VAL A 22 -15.448 11.216 -6.885 1.00 0.69 H new ATOM 0 HA VAL A 22 -15.378 12.979 -5.134 1.00 0.68 H new ATOM 0 HB VAL A 22 -14.975 11.447 -3.311 1.00 0.64 H new ATOM 0 HG11 VAL A 22 -12.680 10.907 -2.613 1.00 0.60 H new ATOM 0 HG12 VAL A 22 -13.249 10.007 -4.039 1.00 0.60 H new ATOM 0 HG13 VAL A 22 -12.115 11.365 -4.238 1.00 0.60 H new ATOM 0 HG21 VAL A 22 -13.578 13.052 -2.032 1.00 0.65 H new ATOM 0 HG22 VAL A 22 -13.193 13.878 -3.560 1.00 0.65 H new ATOM 0 HG23 VAL A 22 -14.875 13.817 -2.981 1.00 0.65 H new ATOM 242 N HIS A 23 -12.620 13.438 -5.789 1.00 0.66 N ATOM 243 CA HIS A 23 -11.423 13.784 -6.556 1.00 0.66 C ATOM 244 C HIS A 23 -10.155 13.427 -5.752 1.00 0.62 C ATOM 245 O HIS A 23 -10.127 13.642 -4.534 1.00 0.60 O ATOM 246 CB HIS A 23 -11.477 15.274 -6.915 1.00 0.69 C ATOM 247 CG HIS A 23 -10.413 15.647 -7.955 1.00 0.70 C ATOM 248 ND1 HIS A 23 -9.125 15.837 -7.694 1.00 0.68 N ATOM 249 CD2 HIS A 23 -10.601 15.872 -9.251 1.00 0.73 C ATOM 250 CE1 HIS A 23 -8.514 16.198 -8.820 1.00 0.70 C ATOM 251 NE2 HIS A 23 -9.429 16.218 -9.782 1.00 0.73 N ATOM 0 H HIS A 23 -12.714 13.949 -4.911 1.00 0.66 H new ATOM 0 HA HIS A 23 -11.387 13.209 -7.481 1.00 0.66 H new ATOM 0 HB2 HIS A 23 -12.466 15.519 -7.302 1.00 0.69 H new ATOM 0 HB3 HIS A 23 -11.330 15.871 -6.015 1.00 0.69 H new ATOM 0 HD2 HIS A 23 -11.539 15.789 -9.781 1.00 0.73 H new ATOM 0 HE1 HIS A 23 -7.465 16.432 -8.931 1.00 0.70 H new ATOM 0 HE2 HIS A 23 -9.263 16.457 -10.760 1.00 0.73 H new ATOM 259 N PRO A 24 -9.109 12.956 -6.453 1.00 0.61 N ATOM 260 CA PRO A 24 -7.774 12.676 -5.887 1.00 0.58 C ATOM 261 C PRO A 24 -7.209 13.850 -5.091 1.00 0.58 C ATOM 262 O PRO A 24 -6.342 13.643 -4.254 1.00 0.56 O ATOM 263 CB PRO A 24 -6.855 12.509 -7.090 1.00 0.60 C ATOM 264 CG PRO A 24 -7.775 11.963 -8.170 1.00 0.62 C ATOM 265 CD PRO A 24 -9.113 12.634 -7.897 1.00 0.64 C ATOM 0 HA PRO A 24 -7.845 11.813 -5.225 1.00 0.58 H new ATOM 0 HB2 PRO A 24 -6.407 13.457 -7.387 1.00 0.60 H new ATOM 0 HB3 PRO A 24 -6.036 11.822 -6.876 1.00 0.60 H new ATOM 0 HG2 PRO A 24 -7.405 12.203 -9.167 1.00 0.62 H new ATOM 0 HG3 PRO A 24 -7.855 10.877 -8.113 1.00 0.62 H new ATOM 0 HD2 PRO A 24 -9.230 13.535 -8.499 1.00 0.64 H new ATOM 0 HD3 PRO A 24 -9.942 11.973 -8.149 1.00 0.64 H new ATOM 273 N LYS A 25 -7.702 15.059 -5.358 1.00 0.61 N ATOM 274 CA LYS A 25 -7.285 16.299 -4.689 1.00 0.61 C ATOM 275 C LYS A 25 -7.337 16.188 -3.154 1.00 0.59 C ATOM 276 O LYS A 25 -6.536 16.799 -2.459 1.00 0.59 O ATOM 277 CB LYS A 25 -8.198 17.431 -5.151 1.00 0.65 C ATOM 278 CG LYS A 25 -7.391 18.720 -5.315 1.00 0.67 C ATOM 279 CD LYS A 25 -8.244 19.893 -5.803 1.00 0.70 C ATOM 280 CE LYS A 25 -9.218 20.381 -4.729 1.00 0.71 C ATOM 281 NZ LYS A 25 -9.110 21.837 -4.585 1.00 0.74 N ATOM 0 H LYS A 25 -8.422 15.211 -6.064 1.00 0.61 H new ATOM 0 HA LYS A 25 -6.248 16.496 -4.959 1.00 0.61 H new ATOM 0 HB2 LYS A 25 -8.671 17.165 -6.097 1.00 0.65 H new ATOM 0 HB3 LYS A 25 -8.998 17.583 -4.426 1.00 0.65 H new ATOM 0 HG2 LYS A 25 -6.933 18.981 -4.361 1.00 0.67 H new ATOM 0 HG3 LYS A 25 -6.579 18.548 -6.021 1.00 0.67 H new ATOM 0 HD2 LYS A 25 -7.593 20.715 -6.102 1.00 0.70 H new ATOM 0 HD3 LYS A 25 -8.803 19.591 -6.689 1.00 0.70 H new ATOM 0 HE2 LYS A 25 -10.238 20.108 -4.999 1.00 0.71 H new ATOM 0 HE3 LYS A 25 -8.999 19.895 -3.778 1.00 0.71 H new ATOM 0 HZ1 LYS A 25 -9.774 22.164 -3.854 1.00 0.74 H new ATOM 0 HZ2 LYS A 25 -8.139 22.087 -4.308 1.00 0.74 H new ATOM 0 HZ3 LYS A 25 -9.340 22.293 -5.491 1.00 0.74 H new ATOM 295 N MET A 26 -8.246 15.339 -2.669 1.00 0.58 N ATOM 296 CA MET A 26 -8.383 15.034 -1.232 1.00 0.58 C ATOM 297 C MET A 26 -7.485 13.877 -0.761 1.00 0.54 C ATOM 298 O MET A 26 -7.231 13.712 0.435 1.00 0.54 O ATOM 299 CB MET A 26 -9.850 14.755 -0.899 1.00 0.59 C ATOM 300 CG MET A 26 -10.739 15.995 -1.089 1.00 0.67 C ATOM 301 SD MET A 26 -10.299 17.414 -0.017 1.00 0.79 S ATOM 302 CE MET A 26 -9.308 18.409 -1.114 1.00 1.08 C ATOM 0 H MET A 26 -8.912 14.840 -3.258 1.00 0.58 H new ATOM 0 HA MET A 26 -8.042 15.914 -0.687 1.00 0.58 H new ATOM 0 HB2 MET A 26 -10.217 13.948 -1.533 1.00 0.59 H new ATOM 0 HB3 MET A 26 -9.927 14.411 0.132 1.00 0.59 H new ATOM 0 HG2 MET A 26 -10.683 16.311 -2.131 1.00 0.67 H new ATOM 0 HG3 MET A 26 -11.775 15.717 -0.896 1.00 0.67 H new ATOM 0 HE1 MET A 26 -8.281 18.440 -0.749 1.00 1.08 H new ATOM 0 HE2 MET A 26 -9.325 17.975 -2.114 1.00 1.08 H new ATOM 0 HE3 MET A 26 -9.711 19.421 -1.151 1.00 1.08 H new ATOM 312 N ILE A 27 -7.026 13.054 -1.702 1.00 0.52 N ATOM 313 CA ILE A 27 -6.182 11.897 -1.379 1.00 0.50 C ATOM 314 C ILE A 27 -4.702 12.286 -1.286 1.00 0.51 C ATOM 315 O ILE A 27 -4.235 13.153 -2.023 1.00 0.58 O ATOM 316 CB ILE A 27 -6.344 10.780 -2.439 1.00 0.53 C ATOM 317 CG1 ILE A 27 -7.828 10.539 -2.754 1.00 0.56 C ATOM 318 CG2 ILE A 27 -5.682 9.488 -1.973 1.00 0.54 C ATOM 319 CD1 ILE A 27 -8.643 10.062 -1.569 1.00 0.57 C ATOM 0 H ILE A 27 -7.223 13.164 -2.697 1.00 0.52 H new ATOM 0 HA ILE A 27 -6.511 11.528 -0.408 1.00 0.50 H new ATOM 0 HB ILE A 27 -5.847 11.109 -3.352 1.00 0.53 H new ATOM 0 HG12 ILE A 27 -8.263 11.464 -3.131 1.00 0.56 H new ATOM 0 HG13 ILE A 27 -7.904 9.802 -3.553 1.00 0.56 H new ATOM 0 HG21 ILE A 27 -5.809 8.719 -2.735 1.00 0.54 H new ATOM 0 HG22 ILE A 27 -4.619 9.663 -1.808 1.00 0.54 H new ATOM 0 HG23 ILE A 27 -6.144 9.158 -1.043 1.00 0.54 H new ATOM 0 HD11 ILE A 27 -9.679 9.916 -1.875 1.00 0.57 H new ATOM 0 HD12 ILE A 27 -8.236 9.119 -1.203 1.00 0.57 H new ATOM 0 HD13 ILE A 27 -8.601 10.808 -0.775 1.00 0.57 H new ATOM 331 N SER A 28 -3.970 11.631 -0.375 1.00 0.49 N ATOM 332 CA SER A 28 -2.548 11.905 -0.185 1.00 0.54 C ATOM 333 C SER A 28 -1.786 10.648 0.256 1.00 0.55 C ATOM 334 O SER A 28 -0.599 10.717 0.576 1.00 0.69 O ATOM 335 CB SER A 28 -2.357 13.012 0.858 1.00 0.61 C ATOM 336 OG SER A 28 -2.903 14.240 0.410 1.00 0.69 O ATOM 0 H SER A 28 -4.344 10.908 0.240 1.00 0.49 H new ATOM 0 HA SER A 28 -2.145 12.231 -1.144 1.00 0.54 H new ATOM 0 HB2 SER A 28 -2.833 12.719 1.794 1.00 0.61 H new ATOM 0 HB3 SER A 28 -1.295 13.138 1.067 1.00 0.61 H new ATOM 0 HG SER A 28 -2.196 14.917 0.371 1.00 0.69 H new ATOM 342 N ASN A 29 -2.472 9.505 0.268 1.00 0.51 N ATOM 343 CA ASN A 29 -1.859 8.240 0.675 1.00 0.51 C ATOM 344 C ASN A 29 -2.635 7.055 0.101 1.00 0.50 C ATOM 345 O ASN A 29 -3.866 7.067 0.066 1.00 0.51 O ATOM 346 CB ASN A 29 -1.821 8.146 2.206 1.00 0.54 C ATOM 347 CG ASN A 29 -1.185 6.859 2.704 1.00 0.57 C ATOM 348 OD1 ASN A 29 -0.257 6.333 2.091 1.00 0.64 O ATOM 349 ND2 ASN A 29 -1.688 6.345 3.819 1.00 0.78 N ATOM 0 H ASN A 29 -3.453 9.429 0.000 1.00 0.51 H new ATOM 0 HA ASN A 29 -0.841 8.209 0.287 1.00 0.51 H new ATOM 0 HB2 ASN A 29 -1.267 8.996 2.604 1.00 0.54 H new ATOM 0 HB3 ASN A 29 -2.837 8.217 2.595 1.00 0.54 H new ATOM 0 HD21 ASN A 29 -1.305 5.480 4.200 1.00 0.78 H new ATOM 0 HD22 ASN A 29 -2.458 6.815 4.295 1.00 0.78 H new ATOM 356 N LEU A 30 -1.905 6.037 -0.347 1.00 0.54 N ATOM 357 CA LEU A 30 -2.509 4.840 -0.918 1.00 0.56 C ATOM 358 C LEU A 30 -1.964 3.584 -0.243 1.00 0.57 C ATOM 359 O LEU A 30 -0.759 3.432 -0.078 1.00 0.74 O ATOM 360 CB LEU A 30 -2.242 4.781 -2.426 1.00 0.60 C ATOM 361 CG LEU A 30 -2.712 3.503 -3.129 1.00 0.67 C ATOM 362 CD1 LEU A 30 -4.229 3.432 -3.165 1.00 0.69 C ATOM 363 CD2 LEU A 30 -2.143 3.428 -4.537 1.00 0.73 C ATOM 0 H LEU A 30 -0.885 6.019 -0.324 1.00 0.54 H new ATOM 0 HA LEU A 30 -3.585 4.885 -0.747 1.00 0.56 H new ATOM 0 HB2 LEU A 30 -2.729 5.634 -2.897 1.00 0.60 H new ATOM 0 HB3 LEU A 30 -1.171 4.894 -2.592 1.00 0.60 H new ATOM 0 HG LEU A 30 -2.344 2.649 -2.561 1.00 0.67 H new ATOM 0 HD11 LEU A 30 -4.539 2.516 -3.669 1.00 0.69 H new ATOM 0 HD12 LEU A 30 -4.618 3.435 -2.147 1.00 0.69 H new ATOM 0 HD13 LEU A 30 -4.621 4.294 -3.705 1.00 0.69 H new ATOM 0 HD21 LEU A 30 -2.488 2.514 -5.020 1.00 0.73 H new ATOM 0 HD22 LEU A 30 -2.479 4.291 -5.112 1.00 0.73 H new ATOM 0 HD23 LEU A 30 -1.054 3.425 -4.490 1.00 0.73 H new ATOM 375 N GLN A 31 -2.864 2.694 0.159 1.00 0.50 N ATOM 376 CA GLN A 31 -2.474 1.443 0.802 1.00 0.51 C ATOM 377 C GLN A 31 -3.182 0.265 0.136 1.00 0.52 C ATOM 378 O GLN A 31 -4.410 0.178 0.156 1.00 0.61 O ATOM 379 CB GLN A 31 -2.801 1.476 2.299 1.00 0.54 C ATOM 380 CG GLN A 31 -1.984 2.487 3.086 1.00 0.61 C ATOM 381 CD GLN A 31 -2.439 2.605 4.528 1.00 0.84 C ATOM 382 OE1 GLN A 31 -3.303 3.418 4.853 1.00 1.16 O ATOM 383 NE2 GLN A 31 -1.857 1.791 5.401 1.00 1.16 N ATOM 0 H GLN A 31 -3.871 2.815 0.051 1.00 0.50 H new ATOM 0 HA GLN A 31 -1.397 1.321 0.688 1.00 0.51 H new ATOM 0 HB2 GLN A 31 -3.860 1.703 2.425 1.00 0.54 H new ATOM 0 HB3 GLN A 31 -2.635 0.484 2.719 1.00 0.54 H new ATOM 0 HG2 GLN A 31 -0.933 2.198 3.062 1.00 0.61 H new ATOM 0 HG3 GLN A 31 -2.057 3.462 2.604 1.00 0.61 H new ATOM 0 HE21 GLN A 31 -1.145 1.132 5.087 1.00 1.16 H new ATOM 0 HE22 GLN A 31 -2.122 1.825 6.385 1.00 1.16 H new ATOM 392 N VAL A 32 -2.404 -0.630 -0.465 1.00 0.49 N ATOM 393 CA VAL A 32 -2.957 -1.794 -1.151 1.00 0.51 C ATOM 394 C VAL A 32 -2.572 -3.092 -0.448 1.00 0.50 C ATOM 395 O VAL A 32 -1.400 -3.337 -0.170 1.00 0.61 O ATOM 396 CB VAL A 32 -2.490 -1.862 -2.625 1.00 0.56 C ATOM 397 CG1 VAL A 32 -3.282 -2.909 -3.395 1.00 0.62 C ATOM 398 CG2 VAL A 32 -2.612 -0.501 -3.295 1.00 0.59 C ATOM 0 H VAL A 32 -1.386 -0.572 -0.491 1.00 0.49 H new ATOM 0 HA VAL A 32 -4.041 -1.681 -1.126 1.00 0.51 H new ATOM 0 HB VAL A 32 -1.440 -2.153 -2.632 1.00 0.56 H new ATOM 0 HG11 VAL A 32 -2.937 -2.939 -4.428 1.00 0.62 H new ATOM 0 HG12 VAL A 32 -3.136 -3.886 -2.935 1.00 0.62 H new ATOM 0 HG13 VAL A 32 -4.341 -2.652 -3.374 1.00 0.62 H new ATOM 0 HG21 VAL A 32 -2.278 -0.574 -4.330 1.00 0.59 H new ATOM 0 HG22 VAL A 32 -3.652 -0.176 -3.271 1.00 0.59 H new ATOM 0 HG23 VAL A 32 -1.993 0.223 -2.764 1.00 0.59 H new ATOM 408 N PHE A 33 -3.576 -3.915 -0.170 1.00 0.48 N ATOM 409 CA PHE A 33 -3.374 -5.198 0.492 1.00 0.49 C ATOM 410 C PHE A 33 -3.879 -6.335 -0.395 1.00 0.52 C ATOM 411 O PHE A 33 -5.012 -6.293 -0.881 1.00 0.57 O ATOM 412 CB PHE A 33 -4.114 -5.227 1.834 1.00 0.52 C ATOM 413 CG PHE A 33 -3.486 -4.379 2.903 1.00 0.53 C ATOM 414 CD1 PHE A 33 -3.850 -3.050 3.059 1.00 0.60 C ATOM 415 CD2 PHE A 33 -2.537 -4.913 3.759 1.00 0.63 C ATOM 416 CE1 PHE A 33 -3.279 -2.270 4.047 1.00 0.68 C ATOM 417 CE2 PHE A 33 -1.961 -4.140 4.749 1.00 0.73 C ATOM 418 CZ PHE A 33 -2.333 -2.817 4.893 1.00 0.72 C ATOM 0 H PHE A 33 -4.550 -3.713 -0.396 1.00 0.48 H new ATOM 0 HA PHE A 33 -2.307 -5.329 0.670 1.00 0.49 H new ATOM 0 HB2 PHE A 33 -5.140 -4.893 1.678 1.00 0.52 H new ATOM 0 HB3 PHE A 33 -4.164 -6.257 2.186 1.00 0.52 H new ATOM 0 HD1 PHE A 33 -4.589 -2.619 2.400 1.00 0.60 H new ATOM 0 HD2 PHE A 33 -2.243 -5.947 3.651 1.00 0.63 H new ATOM 0 HE1 PHE A 33 -3.571 -1.236 4.157 1.00 0.68 H new ATOM 0 HE2 PHE A 33 -1.222 -4.569 5.409 1.00 0.73 H new ATOM 0 HZ PHE A 33 -1.885 -2.211 5.666 1.00 0.72 H new ATOM 428 N ALA A 34 -3.042 -7.347 -0.610 1.00 0.53 N ATOM 429 CA ALA A 34 -3.425 -8.487 -1.441 1.00 0.58 C ATOM 430 C ALA A 34 -4.125 -9.571 -0.615 1.00 0.58 C ATOM 431 O ALA A 34 -4.765 -9.279 0.397 1.00 0.62 O ATOM 432 CB ALA A 34 -2.204 -9.056 -2.146 1.00 0.66 C ATOM 0 H ALA A 34 -2.100 -7.402 -0.223 1.00 0.53 H new ATOM 0 HA ALA A 34 -4.133 -8.135 -2.191 1.00 0.58 H new ATOM 0 HB1 ALA A 34 -2.502 -9.905 -2.762 1.00 0.66 H new ATOM 0 HB2 ALA A 34 -1.758 -8.288 -2.778 1.00 0.66 H new ATOM 0 HB3 ALA A 34 -1.476 -9.384 -1.404 1.00 0.66 H new ATOM 438 N ILE A 35 -4.009 -10.821 -1.066 1.00 0.63 N ATOM 439 CA ILE A 35 -4.622 -11.957 -0.382 1.00 0.65 C ATOM 440 C ILE A 35 -3.967 -12.203 0.978 1.00 0.62 C ATOM 441 O ILE A 35 -2.773 -12.496 1.064 1.00 0.68 O ATOM 442 CB ILE A 35 -4.522 -13.240 -1.239 1.00 0.77 C ATOM 443 CG1 ILE A 35 -5.215 -13.030 -2.590 1.00 0.91 C ATOM 444 CG2 ILE A 35 -5.131 -14.430 -0.504 1.00 0.80 C ATOM 445 CD1 ILE A 35 -5.024 -14.178 -3.560 1.00 1.14 C ATOM 0 H ILE A 35 -3.492 -11.072 -1.909 1.00 0.63 H new ATOM 0 HA ILE A 35 -5.673 -11.712 -0.229 1.00 0.65 H new ATOM 0 HB ILE A 35 -3.468 -13.455 -1.417 1.00 0.77 H new ATOM 0 HG12 ILE A 35 -6.282 -12.883 -2.422 1.00 0.91 H new ATOM 0 HG13 ILE A 35 -4.835 -12.115 -3.045 1.00 0.91 H new ATOM 0 HG21 ILE A 35 -5.050 -15.322 -1.125 1.00 0.80 H new ATOM 0 HG22 ILE A 35 -4.598 -14.591 0.433 1.00 0.80 H new ATOM 0 HG23 ILE A 35 -6.181 -14.229 -0.294 1.00 0.80 H new ATOM 0 HD11 ILE A 35 -5.543 -13.957 -4.493 1.00 1.14 H new ATOM 0 HD12 ILE A 35 -3.961 -14.313 -3.759 1.00 1.14 H new ATOM 0 HD13 ILE A 35 -5.431 -15.092 -3.127 1.00 1.14 H new ATOM 457 N GLY A 36 -4.763 -12.078 2.037 1.00 0.61 N ATOM 458 CA GLY A 36 -4.257 -12.287 3.380 1.00 0.63 C ATOM 459 C GLY A 36 -5.097 -13.277 4.167 1.00 0.65 C ATOM 460 O GLY A 36 -6.018 -13.885 3.618 1.00 0.66 O ATOM 0 H GLY A 36 -5.752 -11.835 1.987 1.00 0.61 H new ATOM 0 HA2 GLY A 36 -3.230 -12.648 3.326 1.00 0.63 H new ATOM 0 HA3 GLY A 36 -4.233 -11.334 3.909 1.00 0.63 H new ATOM 464 N PRO A 37 -4.796 -13.462 5.466 1.00 0.69 N ATOM 465 CA PRO A 37 -5.528 -14.389 6.336 1.00 0.74 C ATOM 466 C PRO A 37 -6.880 -13.835 6.786 1.00 0.72 C ATOM 467 O PRO A 37 -7.683 -14.550 7.386 1.00 0.77 O ATOM 468 CB PRO A 37 -4.597 -14.557 7.551 1.00 0.81 C ATOM 469 CG PRO A 37 -3.336 -13.827 7.216 1.00 0.79 C ATOM 470 CD PRO A 37 -3.710 -12.797 6.193 1.00 0.71 C ATOM 0 HA PRO A 37 -5.759 -15.321 5.820 1.00 0.74 H new ATOM 0 HB2 PRO A 37 -5.055 -14.149 8.452 1.00 0.81 H new ATOM 0 HB3 PRO A 37 -4.397 -15.611 7.745 1.00 0.81 H new ATOM 0 HG2 PRO A 37 -2.910 -13.358 8.103 1.00 0.79 H new ATOM 0 HG3 PRO A 37 -2.583 -14.510 6.824 1.00 0.79 H new ATOM 0 HD2 PRO A 37 -4.039 -11.866 6.654 1.00 0.71 H new ATOM 0 HD3 PRO A 37 -2.874 -12.550 5.539 1.00 0.71 H new ATOM 478 N GLN A 38 -7.127 -12.560 6.495 1.00 0.66 N ATOM 479 CA GLN A 38 -8.390 -11.915 6.887 1.00 0.65 C ATOM 480 C GLN A 38 -9.295 -11.587 5.689 1.00 0.61 C ATOM 481 O GLN A 38 -10.489 -11.353 5.849 1.00 0.62 O ATOM 482 CB GLN A 38 -8.072 -10.650 7.694 1.00 0.65 C ATOM 483 CG GLN A 38 -7.306 -9.582 6.907 1.00 0.60 C ATOM 484 CD GLN A 38 -7.035 -8.366 7.786 1.00 0.63 C ATOM 485 OE1 GLN A 38 -6.352 -8.419 8.795 1.00 0.73 O ATOM 486 NE2 GLN A 38 -7.532 -7.230 7.359 1.00 0.61 N ATOM 0 H GLN A 38 -6.479 -11.952 5.994 1.00 0.66 H new ATOM 0 HA GLN A 38 -8.951 -12.621 7.499 1.00 0.65 H new ATOM 0 HB2 GLN A 38 -9.005 -10.219 8.057 1.00 0.65 H new ATOM 0 HB3 GLN A 38 -7.488 -10.929 8.571 1.00 0.65 H new ATOM 0 HG2 GLN A 38 -6.364 -9.994 6.545 1.00 0.60 H new ATOM 0 HG3 GLN A 38 -7.882 -9.284 6.031 1.00 0.60 H new ATOM 0 HE21 GLN A 38 -8.101 -7.208 6.513 1.00 0.61 H new ATOM 0 HE22 GLN A 38 -7.350 -6.368 7.873 1.00 0.61 H new ATOM 495 N CYS A 39 -8.695 -11.499 4.502 1.00 0.57 N ATOM 496 CA CYS A 39 -9.441 -11.147 3.298 1.00 0.55 C ATOM 497 C CYS A 39 -8.738 -11.655 2.044 1.00 0.61 C ATOM 498 O CYS A 39 -7.580 -11.324 1.796 1.00 0.71 O ATOM 499 CB CYS A 39 -9.585 -9.622 3.221 1.00 0.49 C ATOM 500 SG CYS A 39 -11.048 -9.038 2.306 1.00 0.47 S ATOM 0 H CYS A 39 -7.700 -11.666 4.350 1.00 0.57 H new ATOM 0 HA CYS A 39 -10.423 -11.617 3.351 1.00 0.55 H new ATOM 0 HB2 CYS A 39 -9.625 -9.223 4.235 1.00 0.49 H new ATOM 0 HB3 CYS A 39 -8.692 -9.210 2.751 1.00 0.49 H new ATOM 505 N SER A 40 -9.445 -12.456 1.254 1.00 0.67 N ATOM 506 CA SER A 40 -8.887 -12.992 0.018 1.00 0.78 C ATOM 507 C SER A 40 -9.427 -12.212 -1.182 1.00 0.74 C ATOM 508 O SER A 40 -10.001 -12.785 -2.108 1.00 0.97 O ATOM 509 CB SER A 40 -9.218 -14.483 -0.112 1.00 0.92 C ATOM 510 OG SER A 40 -8.504 -15.074 -1.184 1.00 1.07 O ATOM 0 H SER A 40 -10.403 -12.748 1.447 1.00 0.67 H new ATOM 0 HA SER A 40 -7.803 -12.883 0.043 1.00 0.78 H new ATOM 0 HB2 SER A 40 -8.973 -14.995 0.818 1.00 0.92 H new ATOM 0 HB3 SER A 40 -10.289 -14.608 -0.272 1.00 0.92 H new ATOM 0 HG SER A 40 -8.763 -14.645 -2.026 1.00 1.07 H new ATOM 516 N LYS A 41 -9.235 -10.896 -1.148 1.00 0.72 N ATOM 517 CA LYS A 41 -9.706 -10.015 -2.212 1.00 0.69 C ATOM 518 C LYS A 41 -8.810 -8.786 -2.329 1.00 0.68 C ATOM 519 O LYS A 41 -8.294 -8.286 -1.327 1.00 0.70 O ATOM 520 CB LYS A 41 -11.150 -9.579 -1.927 1.00 0.68 C ATOM 521 CG LYS A 41 -11.762 -8.709 -3.015 1.00 0.77 C ATOM 522 CD LYS A 41 -13.011 -7.996 -2.521 1.00 0.88 C ATOM 523 CE LYS A 41 -13.564 -7.048 -3.576 1.00 1.07 C ATOM 524 NZ LYS A 41 -14.656 -6.189 -3.039 1.00 1.29 N ATOM 0 H LYS A 41 -8.753 -10.414 -0.389 1.00 0.72 H new ATOM 0 HA LYS A 41 -9.672 -10.562 -3.154 1.00 0.69 H new ATOM 0 HB2 LYS A 41 -11.768 -10.468 -1.797 1.00 0.68 H new ATOM 0 HB3 LYS A 41 -11.174 -9.033 -0.984 1.00 0.68 H new ATOM 0 HG2 LYS A 41 -11.030 -7.974 -3.349 1.00 0.77 H new ATOM 0 HG3 LYS A 41 -12.011 -9.326 -3.878 1.00 0.77 H new ATOM 0 HD2 LYS A 41 -13.771 -8.731 -2.256 1.00 0.88 H new ATOM 0 HD3 LYS A 41 -12.778 -7.438 -1.614 1.00 0.88 H new ATOM 0 HE2 LYS A 41 -12.759 -6.417 -3.954 1.00 1.07 H new ATOM 0 HE3 LYS A 41 -13.940 -7.625 -4.421 1.00 1.07 H new ATOM 0 HZ1 LYS A 41 -15.003 -5.559 -3.790 1.00 1.29 H new ATOM 0 HZ2 LYS A 41 -15.436 -6.789 -2.702 1.00 1.29 H new ATOM 0 HZ3 LYS A 41 -14.292 -5.618 -2.249 1.00 1.29 H new ATOM 538 N VAL A 42 -8.625 -8.305 -3.556 1.00 0.67 N ATOM 539 CA VAL A 42 -7.802 -7.127 -3.799 1.00 0.68 C ATOM 540 C VAL A 42 -8.611 -5.844 -3.602 1.00 0.67 C ATOM 541 O VAL A 42 -9.510 -5.532 -4.385 1.00 0.75 O ATOM 542 CB VAL A 42 -7.184 -7.137 -5.216 1.00 0.74 C ATOM 543 CG1 VAL A 42 -5.936 -8.004 -5.243 1.00 0.80 C ATOM 544 CG2 VAL A 42 -8.190 -7.623 -6.252 1.00 0.83 C ATOM 0 H VAL A 42 -9.034 -8.714 -4.396 1.00 0.67 H new ATOM 0 HA VAL A 42 -6.990 -7.155 -3.072 1.00 0.68 H new ATOM 0 HB VAL A 42 -6.907 -6.114 -5.470 1.00 0.74 H new ATOM 0 HG11 VAL A 42 -5.512 -8.001 -6.247 1.00 0.80 H new ATOM 0 HG12 VAL A 42 -5.203 -7.609 -4.539 1.00 0.80 H new ATOM 0 HG13 VAL A 42 -6.196 -9.025 -4.962 1.00 0.80 H new ATOM 0 HG21 VAL A 42 -7.727 -7.619 -7.239 1.00 0.83 H new ATOM 0 HG22 VAL A 42 -8.507 -8.636 -6.004 1.00 0.83 H new ATOM 0 HG23 VAL A 42 -9.057 -6.962 -6.256 1.00 0.83 H new ATOM 554 N GLU A 43 -8.296 -5.113 -2.537 1.00 0.60 N ATOM 555 CA GLU A 43 -8.992 -3.866 -2.233 1.00 0.59 C ATOM 556 C GLU A 43 -8.007 -2.707 -2.141 1.00 0.58 C ATOM 557 O GLU A 43 -6.933 -2.836 -1.550 1.00 0.63 O ATOM 558 CB GLU A 43 -9.776 -3.994 -0.923 1.00 0.60 C ATOM 559 CG GLU A 43 -10.700 -5.202 -0.876 1.00 0.66 C ATOM 560 CD GLU A 43 -11.574 -5.224 0.362 1.00 0.70 C ATOM 561 OE1 GLU A 43 -11.034 -5.433 1.470 1.00 0.75 O ATOM 562 OE2 GLU A 43 -12.801 -5.037 0.225 1.00 0.79 O ATOM 0 H GLU A 43 -7.565 -5.362 -1.871 1.00 0.60 H new ATOM 0 HA GLU A 43 -9.692 -3.663 -3.043 1.00 0.59 H new ATOM 0 HB2 GLU A 43 -9.072 -4.054 -0.093 1.00 0.60 H new ATOM 0 HB3 GLU A 43 -10.367 -3.090 -0.774 1.00 0.60 H new ATOM 0 HG2 GLU A 43 -11.334 -5.204 -1.763 1.00 0.66 H new ATOM 0 HG3 GLU A 43 -10.102 -6.113 -0.910 1.00 0.66 H new ATOM 569 N VAL A 44 -8.373 -1.572 -2.732 1.00 0.55 N ATOM 570 CA VAL A 44 -7.509 -0.398 -2.711 1.00 0.56 C ATOM 571 C VAL A 44 -8.028 0.667 -1.743 1.00 0.54 C ATOM 572 O VAL A 44 -9.027 1.340 -2.000 1.00 0.57 O ATOM 573 CB VAL A 44 -7.321 0.220 -4.118 1.00 0.60 C ATOM 574 CG1 VAL A 44 -6.332 -0.602 -4.930 1.00 0.66 C ATOM 575 CG2 VAL A 44 -8.647 0.331 -4.858 1.00 0.64 C ATOM 0 H VAL A 44 -9.255 -1.442 -3.227 1.00 0.55 H new ATOM 0 HA VAL A 44 -6.537 -0.746 -2.362 1.00 0.56 H new ATOM 0 HB VAL A 44 -6.924 1.227 -3.989 1.00 0.60 H new ATOM 0 HG11 VAL A 44 -6.211 -0.155 -5.917 1.00 0.66 H new ATOM 0 HG12 VAL A 44 -5.369 -0.621 -4.419 1.00 0.66 H new ATOM 0 HG13 VAL A 44 -6.706 -1.620 -5.037 1.00 0.66 H new ATOM 0 HG21 VAL A 44 -8.479 0.769 -5.842 1.00 0.64 H new ATOM 0 HG22 VAL A 44 -9.084 -0.661 -4.972 1.00 0.64 H new ATOM 0 HG23 VAL A 44 -9.328 0.965 -4.291 1.00 0.64 H new ATOM 585 N VAL A 45 -7.337 0.793 -0.616 1.00 0.51 N ATOM 586 CA VAL A 45 -7.697 1.780 0.423 1.00 0.50 C ATOM 587 C VAL A 45 -6.860 3.070 0.268 1.00 0.51 C ATOM 588 O VAL A 45 -5.789 3.096 -0.343 1.00 0.54 O ATOM 589 CB VAL A 45 -7.632 1.190 1.852 1.00 0.51 C ATOM 590 CG1 VAL A 45 -7.759 -0.318 1.861 1.00 0.69 C ATOM 591 CG2 VAL A 45 -6.308 1.332 2.564 1.00 0.67 C ATOM 0 H VAL A 45 -6.520 0.227 -0.388 1.00 0.51 H new ATOM 0 HA VAL A 45 -8.742 2.051 0.271 1.00 0.50 H new ATOM 0 HB VAL A 45 -8.437 1.749 2.330 1.00 0.51 H new ATOM 0 HG11 VAL A 45 -7.707 -0.681 2.887 1.00 0.69 H new ATOM 0 HG12 VAL A 45 -8.714 -0.605 1.422 1.00 0.69 H new ATOM 0 HG13 VAL A 45 -6.947 -0.755 1.280 1.00 0.69 H new ATOM 0 HG21 VAL A 45 -6.378 0.884 3.555 1.00 0.67 H new ATOM 0 HG22 VAL A 45 -5.531 0.826 1.991 1.00 0.67 H new ATOM 0 HG23 VAL A 45 -6.058 2.389 2.660 1.00 0.67 H new ATOM 601 N ALA A 46 -7.452 4.176 0.678 1.00 0.52 N ATOM 602 CA ALA A 46 -6.799 5.500 0.604 1.00 0.54 C ATOM 603 C ALA A 46 -7.101 6.334 1.852 1.00 0.55 C ATOM 604 O ALA A 46 -8.112 6.119 2.528 1.00 0.55 O ATOM 605 CB ALA A 46 -7.264 6.240 -0.653 1.00 0.58 C ATOM 0 H ALA A 46 -8.393 4.199 1.072 1.00 0.52 H new ATOM 0 HA ALA A 46 -5.721 5.349 0.554 1.00 0.54 H new ATOM 0 HB1 ALA A 46 -6.779 7.215 -0.702 1.00 0.58 H new ATOM 0 HB2 ALA A 46 -6.999 5.659 -1.536 1.00 0.58 H new ATOM 0 HB3 ALA A 46 -8.345 6.374 -0.617 1.00 0.58 H new ATOM 611 N SER A 47 -6.185 7.243 2.155 1.00 0.57 N ATOM 612 CA SER A 47 -6.336 8.184 3.280 1.00 0.60 C ATOM 613 C SER A 47 -6.217 9.627 2.789 1.00 0.64 C ATOM 614 O SER A 47 -5.303 9.990 2.036 1.00 0.65 O ATOM 615 CB SER A 47 -5.279 7.943 4.356 1.00 0.63 C ATOM 616 OG SER A 47 -5.316 6.579 4.781 1.00 0.62 O ATOM 0 H SER A 47 -5.315 7.357 1.635 1.00 0.57 H new ATOM 0 HA SER A 47 -7.324 8.017 3.710 1.00 0.60 H new ATOM 0 HB2 SER A 47 -4.290 8.184 3.966 1.00 0.63 H new ATOM 0 HB3 SER A 47 -5.456 8.602 5.206 1.00 0.63 H new ATOM 0 HG SER A 47 -4.634 6.432 5.470 1.00 0.62 H new ATOM 622 N LEU A 48 -7.147 10.454 3.257 1.00 0.66 N ATOM 623 CA LEU A 48 -7.187 11.866 2.902 1.00 0.71 C ATOM 624 C LEU A 48 -6.126 12.653 3.667 1.00 0.74 C ATOM 625 O LEU A 48 -5.515 12.142 4.607 1.00 0.74 O ATOM 626 CB LEU A 48 -8.576 12.447 3.205 1.00 0.72 C ATOM 627 CG LEU A 48 -9.649 12.194 2.141 1.00 0.74 C ATOM 628 CD1 LEU A 48 -10.083 10.733 2.136 1.00 0.72 C ATOM 629 CD2 LEU A 48 -10.847 13.101 2.377 1.00 0.79 C ATOM 0 H LEU A 48 -7.891 10.164 3.891 1.00 0.66 H new ATOM 0 HA LEU A 48 -6.981 11.952 1.835 1.00 0.71 H new ATOM 0 HB2 LEU A 48 -8.924 12.033 4.151 1.00 0.72 H new ATOM 0 HB3 LEU A 48 -8.477 13.523 3.345 1.00 0.72 H new ATOM 0 HG LEU A 48 -9.220 12.421 1.165 1.00 0.74 H new ATOM 0 HD11 LEU A 48 -10.845 10.582 1.371 1.00 0.72 H new ATOM 0 HD12 LEU A 48 -9.223 10.099 1.921 1.00 0.72 H new ATOM 0 HD13 LEU A 48 -10.492 10.472 3.112 1.00 0.72 H new ATOM 0 HD21 LEU A 48 -11.602 12.912 1.614 1.00 0.79 H new ATOM 0 HD22 LEU A 48 -11.267 12.899 3.362 1.00 0.79 H new ATOM 0 HD23 LEU A 48 -10.531 14.143 2.324 1.00 0.79 H new ATOM 641 N LYS A 49 -5.918 13.904 3.262 1.00 0.80 N ATOM 642 CA LYS A 49 -4.938 14.771 3.911 1.00 0.86 C ATOM 643 C LYS A 49 -5.519 15.382 5.187 1.00 0.87 C ATOM 644 O LYS A 49 -4.808 16.010 5.974 1.00 0.93 O ATOM 645 CB LYS A 49 -4.490 15.877 2.948 1.00 0.94 C ATOM 646 CG LYS A 49 -3.277 16.663 3.425 1.00 1.01 C ATOM 647 CD LYS A 49 -2.036 15.786 3.515 1.00 1.07 C ATOM 648 CE LYS A 49 -0.848 16.554 4.070 1.00 1.20 C ATOM 649 NZ LYS A 49 -1.078 16.996 5.475 1.00 1.23 N ATOM 0 H LYS A 49 -6.416 14.340 2.486 1.00 0.80 H new ATOM 0 HA LYS A 49 -4.071 14.169 4.183 1.00 0.86 H new ATOM 0 HB2 LYS A 49 -4.263 15.431 1.980 1.00 0.94 H new ATOM 0 HB3 LYS A 49 -5.319 16.567 2.794 1.00 0.94 H new ATOM 0 HG2 LYS A 49 -3.088 17.491 2.742 1.00 1.01 H new ATOM 0 HG3 LYS A 49 -3.487 17.098 4.402 1.00 1.01 H new ATOM 0 HD2 LYS A 49 -2.243 14.925 4.151 1.00 1.07 H new ATOM 0 HD3 LYS A 49 -1.790 15.399 2.526 1.00 1.07 H new ATOM 0 HE2 LYS A 49 0.042 15.926 4.028 1.00 1.20 H new ATOM 0 HE3 LYS A 49 -0.653 17.424 3.443 1.00 1.20 H new ATOM 0 HZ1 LYS A 49 -0.174 17.285 5.900 1.00 1.23 H new ATOM 0 HZ2 LYS A 49 -1.737 17.801 5.482 1.00 1.23 H new ATOM 0 HZ3 LYS A 49 -1.484 16.211 6.024 1.00 1.23 H new ATOM 663 N ASN A 50 -6.819 15.180 5.393 1.00 0.84 N ATOM 664 CA ASN A 50 -7.509 15.702 6.569 1.00 0.88 C ATOM 665 C ASN A 50 -7.314 14.782 7.774 1.00 0.84 C ATOM 666 O ASN A 50 -7.791 15.074 8.871 1.00 1.01 O ATOM 667 CB ASN A 50 -9.003 15.865 6.274 1.00 0.90 C ATOM 668 CG ASN A 50 -9.273 16.814 5.122 1.00 0.98 C ATOM 669 OD1 ASN A 50 -8.524 17.765 4.894 1.00 1.05 O ATOM 670 ND2 ASN A 50 -10.350 16.560 4.388 1.00 1.01 N ATOM 0 H ASN A 50 -7.418 14.655 4.756 1.00 0.84 H new ATOM 0 HA ASN A 50 -7.081 16.675 6.808 1.00 0.88 H new ATOM 0 HB2 ASN A 50 -9.432 14.890 6.044 1.00 0.90 H new ATOM 0 HB3 ASN A 50 -9.507 16.232 7.168 1.00 0.90 H new ATOM 0 HD21 ASN A 50 -10.584 17.164 3.600 1.00 1.01 H new ATOM 0 HD22 ASN A 50 -10.943 15.761 4.612 1.00 1.01 H new ATOM 677 N GLY A 51 -6.612 13.669 7.561 1.00 0.70 N ATOM 678 CA GLY A 51 -6.366 12.723 8.636 1.00 0.69 C ATOM 679 C GLY A 51 -7.471 11.692 8.758 1.00 0.64 C ATOM 680 O GLY A 51 -7.842 11.301 9.866 1.00 0.69 O ATOM 0 H GLY A 51 -6.209 13.407 6.661 1.00 0.70 H new ATOM 0 HA2 GLY A 51 -5.417 12.216 8.461 1.00 0.69 H new ATOM 0 HA3 GLY A 51 -6.270 13.263 9.578 1.00 0.69 H new ATOM 684 N LYS A 52 -7.996 11.253 7.618 1.00 0.60 N ATOM 685 CA LYS A 52 -9.066 10.263 7.599 1.00 0.57 C ATOM 686 C LYS A 52 -8.727 9.095 6.679 1.00 0.53 C ATOM 687 O LYS A 52 -7.922 9.227 5.761 1.00 0.62 O ATOM 688 CB LYS A 52 -10.381 10.907 7.151 1.00 0.62 C ATOM 689 CG LYS A 52 -10.954 11.897 8.153 1.00 0.70 C ATOM 690 CD LYS A 52 -12.282 12.470 7.681 1.00 0.86 C ATOM 691 CE LYS A 52 -13.375 11.413 7.645 1.00 0.96 C ATOM 692 NZ LYS A 52 -14.680 11.979 7.211 1.00 1.19 N ATOM 0 H LYS A 52 -7.697 11.568 6.695 1.00 0.60 H new ATOM 0 HA LYS A 52 -9.178 9.880 8.613 1.00 0.57 H new ATOM 0 HB2 LYS A 52 -10.219 11.418 6.202 1.00 0.62 H new ATOM 0 HB3 LYS A 52 -11.115 10.122 6.970 1.00 0.62 H new ATOM 0 HG2 LYS A 52 -11.092 11.403 9.115 1.00 0.70 H new ATOM 0 HG3 LYS A 52 -10.243 12.708 8.311 1.00 0.70 H new ATOM 0 HD2 LYS A 52 -12.583 13.281 8.344 1.00 0.86 H new ATOM 0 HD3 LYS A 52 -12.159 12.899 6.687 1.00 0.86 H new ATOM 0 HE2 LYS A 52 -13.083 10.612 6.966 1.00 0.96 H new ATOM 0 HE3 LYS A 52 -13.483 10.969 8.634 1.00 0.96 H new ATOM 0 HZ1 LYS A 52 -15.398 11.227 7.200 1.00 1.19 H new ATOM 0 HZ2 LYS A 52 -14.972 12.726 7.873 1.00 1.19 H new ATOM 0 HZ3 LYS A 52 -14.584 12.380 6.256 1.00 1.19 H new ATOM 706 N GLU A 53 -9.354 7.956 6.941 1.00 0.52 N ATOM 707 CA GLU A 53 -9.149 6.733 6.146 1.00 0.49 C ATOM 708 C GLU A 53 -10.504 6.137 5.746 1.00 0.49 C ATOM 709 O GLU A 53 -11.410 5.993 6.570 1.00 0.51 O ATOM 710 CB GLU A 53 -8.322 5.723 6.950 1.00 0.49 C ATOM 711 CG GLU A 53 -8.910 5.480 8.348 1.00 0.63 C ATOM 712 CD GLU A 53 -8.148 4.438 9.149 1.00 0.63 C ATOM 713 OE1 GLU A 53 -7.113 4.832 9.727 1.00 0.64 O ATOM 714 OE2 GLU A 53 -8.666 3.304 9.228 1.00 0.69 O ATOM 0 H GLU A 53 -10.019 7.845 7.706 1.00 0.52 H new ATOM 0 HA GLU A 53 -8.601 6.979 5.236 1.00 0.49 H new ATOM 0 HB2 GLU A 53 -8.276 4.779 6.407 1.00 0.49 H new ATOM 0 HB3 GLU A 53 -7.299 6.087 7.045 1.00 0.49 H new ATOM 0 HG2 GLU A 53 -8.916 6.420 8.900 1.00 0.63 H new ATOM 0 HG3 GLU A 53 -9.948 5.163 8.248 1.00 0.63 H new ATOM 721 N ILE A 54 -10.627 5.862 4.469 1.00 0.47 N ATOM 722 CA ILE A 54 -11.854 5.243 3.930 1.00 0.47 C ATOM 723 C ILE A 54 -11.494 3.999 3.108 1.00 0.45 C ATOM 724 O ILE A 54 -10.317 3.690 2.892 1.00 0.43 O ATOM 725 CB ILE A 54 -12.683 6.270 3.136 1.00 0.49 C ATOM 726 CG1 ILE A 54 -11.905 6.782 1.908 1.00 0.48 C ATOM 727 CG2 ILE A 54 -13.172 7.398 4.063 1.00 0.53 C ATOM 728 CD1 ILE A 54 -12.713 7.673 0.961 1.00 0.51 C ATOM 0 H ILE A 54 -9.906 6.049 3.772 1.00 0.47 H new ATOM 0 HA ILE A 54 -12.487 4.913 4.754 1.00 0.47 H new ATOM 0 HB ILE A 54 -13.574 5.781 2.742 1.00 0.49 H new ATOM 0 HG12 ILE A 54 -11.034 7.339 2.254 1.00 0.48 H new ATOM 0 HG13 ILE A 54 -11.533 5.924 1.348 1.00 0.48 H new ATOM 0 HG21 ILE A 54 -13.756 8.115 3.486 1.00 0.53 H new ATOM 0 HG22 ILE A 54 -13.793 6.976 4.853 1.00 0.53 H new ATOM 0 HG23 ILE A 54 -12.313 7.902 4.507 1.00 0.53 H new ATOM 0 HD11 ILE A 54 -12.083 7.984 0.128 1.00 0.51 H new ATOM 0 HD12 ILE A 54 -13.569 7.117 0.580 1.00 0.51 H new ATOM 0 HD13 ILE A 54 -13.063 8.553 1.500 1.00 0.51 H new ATOM 740 N CYS A 55 -12.533 3.365 2.588 1.00 0.46 N ATOM 741 CA CYS A 55 -12.387 2.185 1.725 1.00 0.44 C ATOM 742 C CYS A 55 -13.158 2.411 0.433 1.00 0.46 C ATOM 743 O CYS A 55 -14.305 2.849 0.431 1.00 0.49 O ATOM 744 CB CYS A 55 -12.955 0.955 2.422 1.00 0.45 C ATOM 745 SG CYS A 55 -11.973 0.410 3.864 1.00 0.43 S ATOM 0 H CYS A 55 -13.501 3.646 2.746 1.00 0.46 H new ATOM 0 HA CYS A 55 -11.329 2.029 1.514 1.00 0.44 H new ATOM 0 HB2 CYS A 55 -13.973 1.170 2.747 1.00 0.45 H new ATOM 0 HB3 CYS A 55 -13.015 0.137 1.704 1.00 0.45 H new ATOM 750 N LEU A 56 -12.524 2.007 -0.645 1.00 0.46 N ATOM 751 CA LEU A 56 -13.099 2.172 -1.976 1.00 0.49 C ATOM 752 C LEU A 56 -13.395 0.787 -2.558 1.00 0.50 C ATOM 753 O LEU A 56 -12.728 -0.203 -2.234 1.00 0.48 O ATOM 754 CB LEU A 56 -12.046 2.980 -2.749 1.00 0.49 C ATOM 755 CG LEU A 56 -11.674 4.370 -2.217 1.00 0.48 C ATOM 756 CD1 LEU A 56 -10.792 5.073 -3.248 1.00 0.49 C ATOM 757 CD2 LEU A 56 -12.896 5.232 -1.896 1.00 0.51 C ATOM 0 H LEU A 56 -11.607 1.560 -0.634 1.00 0.46 H new ATOM 0 HA LEU A 56 -14.052 2.700 -2.007 1.00 0.49 H new ATOM 0 HB2 LEU A 56 -11.134 2.384 -2.794 1.00 0.49 H new ATOM 0 HB3 LEU A 56 -12.401 3.098 -3.773 1.00 0.49 H new ATOM 0 HG LEU A 56 -11.137 4.234 -1.278 1.00 0.48 H new ATOM 0 HD11 LEU A 56 -10.521 6.063 -2.881 1.00 0.49 H new ATOM 0 HD12 LEU A 56 -9.888 4.487 -3.413 1.00 0.49 H new ATOM 0 HD13 LEU A 56 -11.337 5.171 -4.187 1.00 0.49 H new ATOM 0 HD21 LEU A 56 -12.569 6.203 -1.524 1.00 0.51 H new ATOM 0 HD22 LEU A 56 -13.491 5.371 -2.799 1.00 0.51 H new ATOM 0 HD23 LEU A 56 -13.501 4.737 -1.136 1.00 0.51 H new ATOM 769 N ASP A 57 -14.382 0.666 -3.436 1.00 0.53 N ATOM 770 CA ASP A 57 -14.674 -0.636 -4.053 1.00 0.54 C ATOM 771 C ASP A 57 -14.087 -0.710 -5.469 1.00 0.57 C ATOM 772 O ASP A 57 -14.662 -0.151 -6.401 1.00 0.62 O ATOM 773 CB ASP A 57 -16.179 -0.896 -4.111 1.00 0.59 C ATOM 774 CG ASP A 57 -16.531 -2.359 -3.896 1.00 0.60 C ATOM 775 OD1 ASP A 57 -15.797 -3.233 -4.406 1.00 0.62 O ATOM 776 OD2 ASP A 57 -17.542 -2.632 -3.218 1.00 0.67 O ATOM 0 H ASP A 57 -14.986 1.431 -3.737 1.00 0.53 H new ATOM 0 HA ASP A 57 -14.211 -1.402 -3.432 1.00 0.54 H new ATOM 0 HB2 ASP A 57 -16.677 -0.292 -3.353 1.00 0.59 H new ATOM 0 HB3 ASP A 57 -16.562 -0.573 -5.079 1.00 0.59 H new ATOM 781 N PRO A 58 -12.933 -1.409 -5.649 1.00 0.58 N ATOM 782 CA PRO A 58 -12.270 -1.560 -6.965 1.00 0.64 C ATOM 783 C PRO A 58 -13.208 -2.099 -8.045 1.00 0.73 C ATOM 784 O PRO A 58 -12.940 -1.985 -9.242 1.00 0.86 O ATOM 785 CB PRO A 58 -11.157 -2.573 -6.694 1.00 0.68 C ATOM 786 CG PRO A 58 -10.891 -2.495 -5.233 1.00 0.63 C ATOM 787 CD PRO A 58 -12.189 -2.105 -4.581 1.00 0.59 C ATOM 0 HA PRO A 58 -11.919 -0.600 -7.343 1.00 0.64 H new ATOM 0 HB2 PRO A 58 -11.463 -3.578 -6.983 1.00 0.68 H new ATOM 0 HB3 PRO A 58 -10.262 -2.335 -7.269 1.00 0.68 H new ATOM 0 HG2 PRO A 58 -10.538 -3.453 -4.852 1.00 0.63 H new ATOM 0 HG3 PRO A 58 -10.114 -1.761 -5.019 1.00 0.63 H new ATOM 0 HD2 PRO A 58 -12.732 -2.978 -4.221 1.00 0.59 H new ATOM 0 HD3 PRO A 58 -12.024 -1.455 -3.721 1.00 0.59 H new ATOM 795 N GLU A 59 -14.308 -2.683 -7.590 1.00 0.69 N ATOM 796 CA GLU A 59 -15.344 -3.259 -8.459 1.00 0.81 C ATOM 797 C GLU A 59 -16.058 -2.213 -9.344 1.00 0.87 C ATOM 798 O GLU A 59 -16.740 -2.564 -10.307 1.00 0.96 O ATOM 799 CB GLU A 59 -16.351 -4.006 -7.577 1.00 0.84 C ATOM 800 CG GLU A 59 -17.330 -4.824 -8.419 1.00 1.11 C ATOM 801 CD GLU A 59 -18.314 -5.619 -7.570 1.00 1.18 C ATOM 802 OE1 GLU A 59 -19.055 -4.974 -6.793 1.00 1.35 O ATOM 803 OE2 GLU A 59 -18.290 -6.856 -7.720 1.00 1.29 O ATOM 0 H GLU A 59 -14.516 -2.775 -6.596 1.00 0.69 H new ATOM 0 HA GLU A 59 -14.858 -3.942 -9.156 1.00 0.81 H new ATOM 0 HB2 GLU A 59 -15.818 -4.666 -6.892 1.00 0.84 H new ATOM 0 HB3 GLU A 59 -16.903 -3.291 -6.966 1.00 0.84 H new ATOM 0 HG2 GLU A 59 -17.883 -4.155 -9.078 1.00 1.11 H new ATOM 0 HG3 GLU A 59 -16.771 -5.509 -9.056 1.00 1.11 H new ATOM 810 N ALA A 60 -15.922 -0.940 -8.999 1.00 0.84 N ATOM 811 CA ALA A 60 -16.567 0.141 -9.745 1.00 0.92 C ATOM 812 C ALA A 60 -15.563 0.824 -10.697 1.00 0.95 C ATOM 813 O ALA A 60 -14.470 1.208 -10.269 1.00 0.92 O ATOM 814 CB ALA A 60 -17.153 1.124 -8.736 1.00 0.91 C ATOM 0 H ALA A 60 -15.368 -0.625 -8.203 1.00 0.84 H new ATOM 0 HA ALA A 60 -17.367 -0.253 -10.372 1.00 0.92 H new ATOM 0 HB1 ALA A 60 -17.641 1.942 -9.266 1.00 0.91 H new ATOM 0 HB2 ALA A 60 -17.883 0.611 -8.110 1.00 0.91 H new ATOM 0 HB3 ALA A 60 -16.354 1.523 -8.110 1.00 0.91 H new ATOM 820 N PRO A 61 -15.983 1.074 -11.943 1.00 1.04 N ATOM 821 CA PRO A 61 -15.135 1.698 -12.981 1.00 1.08 C ATOM 822 C PRO A 61 -14.742 3.146 -12.657 1.00 1.06 C ATOM 823 O PRO A 61 -13.562 3.486 -12.698 1.00 1.05 O ATOM 824 CB PRO A 61 -15.964 1.607 -14.262 1.00 1.20 C ATOM 825 CG PRO A 61 -17.406 1.649 -13.758 1.00 1.24 C ATOM 826 CD PRO A 61 -17.346 0.842 -12.464 1.00 1.13 C ATOM 0 HA PRO A 61 -14.178 1.184 -13.065 1.00 1.08 H new ATOM 0 HB2 PRO A 61 -15.751 2.435 -14.938 1.00 1.20 H new ATOM 0 HB3 PRO A 61 -15.757 0.688 -14.810 1.00 1.20 H new ATOM 0 HG2 PRO A 61 -17.741 2.671 -13.580 1.00 1.24 H new ATOM 0 HG3 PRO A 61 -18.097 1.208 -14.476 1.00 1.24 H new ATOM 0 HD2 PRO A 61 -18.104 1.174 -11.754 1.00 1.13 H new ATOM 0 HD3 PRO A 61 -17.525 -0.217 -12.649 1.00 1.13 H new ATOM 834 N PHE A 62 -15.705 3.920 -12.147 1.00 1.08 N ATOM 835 CA PHE A 62 -15.469 5.316 -11.723 1.00 1.08 C ATOM 836 C PHE A 62 -14.422 5.402 -10.606 1.00 0.97 C ATOM 837 O PHE A 62 -13.685 6.377 -10.497 1.00 0.97 O ATOM 838 CB PHE A 62 -16.766 5.990 -11.262 1.00 1.15 C ATOM 839 CG PHE A 62 -17.375 5.344 -10.016 1.00 1.13 C ATOM 840 CD1 PHE A 62 -16.989 5.773 -8.753 1.00 1.08 C ATOM 841 CD2 PHE A 62 -18.333 4.350 -10.156 1.00 1.18 C ATOM 842 CE1 PHE A 62 -17.567 5.212 -7.624 1.00 1.10 C ATOM 843 CE2 PHE A 62 -18.922 3.799 -9.027 1.00 1.19 C ATOM 844 CZ PHE A 62 -18.532 4.223 -7.765 1.00 1.15 C ATOM 0 H PHE A 62 -16.666 3.605 -12.014 1.00 1.08 H new ATOM 0 HA PHE A 62 -15.088 5.844 -12.597 1.00 1.08 H new ATOM 0 HB2 PHE A 62 -16.567 7.042 -11.057 1.00 1.15 H new ATOM 0 HB3 PHE A 62 -17.493 5.955 -12.073 1.00 1.15 H new ATOM 0 HD1 PHE A 62 -16.239 6.543 -8.650 1.00 1.08 H new ATOM 0 HD2 PHE A 62 -18.619 4.007 -11.139 1.00 1.18 H new ATOM 0 HE1 PHE A 62 -17.268 5.542 -6.640 1.00 1.10 H new ATOM 0 HE2 PHE A 62 -19.684 3.040 -9.131 1.00 1.19 H new ATOM 0 HZ PHE A 62 -18.981 3.782 -6.888 1.00 1.15 H new ATOM 854 N LEU A 63 -14.338 4.342 -9.814 1.00 0.89 N ATOM 855 CA LEU A 63 -13.381 4.277 -8.728 1.00 0.79 C ATOM 856 C LEU A 63 -11.973 4.039 -9.271 1.00 0.80 C ATOM 857 O LEU A 63 -10.992 4.497 -8.694 1.00 0.80 O ATOM 858 CB LEU A 63 -13.770 3.165 -7.763 1.00 0.72 C ATOM 859 CG LEU A 63 -13.228 3.325 -6.350 1.00 0.64 C ATOM 860 CD1 LEU A 63 -14.378 3.313 -5.357 1.00 0.60 C ATOM 861 CD2 LEU A 63 -12.218 2.226 -6.044 1.00 0.63 C ATOM 0 H LEU A 63 -14.926 3.514 -9.907 1.00 0.89 H new ATOM 0 HA LEU A 63 -13.387 5.228 -8.195 1.00 0.79 H new ATOM 0 HB2 LEU A 63 -14.858 3.109 -7.715 1.00 0.72 H new ATOM 0 HB3 LEU A 63 -13.419 2.215 -8.166 1.00 0.72 H new ATOM 0 HG LEU A 63 -12.712 4.281 -6.265 1.00 0.64 H new ATOM 0 HD11 LEU A 63 -13.987 3.428 -4.346 1.00 0.60 H new ATOM 0 HD12 LEU A 63 -15.058 4.135 -5.578 1.00 0.60 H new ATOM 0 HD13 LEU A 63 -14.915 2.367 -5.433 1.00 0.60 H new ATOM 0 HD21 LEU A 63 -11.838 2.353 -5.030 1.00 0.63 H new ATOM 0 HD22 LEU A 63 -12.701 1.253 -6.132 1.00 0.63 H new ATOM 0 HD23 LEU A 63 -11.391 2.285 -6.751 1.00 0.63 H new ATOM 873 N LYS A 64 -11.893 3.330 -10.401 1.00 0.85 N ATOM 874 CA LYS A 64 -10.618 3.027 -11.053 1.00 0.90 C ATOM 875 C LYS A 64 -9.963 4.305 -11.591 1.00 0.94 C ATOM 876 O LYS A 64 -8.749 4.382 -11.730 1.00 0.99 O ATOM 877 CB LYS A 64 -10.845 2.027 -12.192 1.00 1.00 C ATOM 878 CG LYS A 64 -9.606 1.737 -13.026 1.00 1.10 C ATOM 879 CD LYS A 64 -9.970 1.187 -14.399 1.00 1.26 C ATOM 880 CE LYS A 64 -10.580 2.258 -15.293 1.00 1.46 C ATOM 881 NZ LYS A 64 -10.919 1.726 -16.642 1.00 1.71 N ATOM 0 H LYS A 64 -12.707 2.952 -10.887 1.00 0.85 H new ATOM 0 HA LYS A 64 -9.946 2.587 -10.317 1.00 0.90 H new ATOM 0 HB2 LYS A 64 -11.212 1.091 -11.771 1.00 1.00 H new ATOM 0 HB3 LYS A 64 -11.628 2.411 -12.846 1.00 1.00 H new ATOM 0 HG2 LYS A 64 -9.023 2.651 -13.142 1.00 1.10 H new ATOM 0 HG3 LYS A 64 -8.974 1.020 -12.502 1.00 1.10 H new ATOM 0 HD2 LYS A 64 -9.078 0.780 -14.876 1.00 1.26 H new ATOM 0 HD3 LYS A 64 -10.675 0.363 -14.286 1.00 1.26 H new ATOM 0 HE2 LYS A 64 -11.479 2.655 -14.822 1.00 1.46 H new ATOM 0 HE3 LYS A 64 -9.881 3.088 -15.395 1.00 1.46 H new ATOM 0 HZ1 LYS A 64 -11.332 2.485 -17.221 1.00 1.71 H new ATOM 0 HZ2 LYS A 64 -10.057 1.370 -17.102 1.00 1.71 H new ATOM 0 HZ3 LYS A 64 -11.606 0.951 -16.547 1.00 1.71 H new ATOM 895 N LYS A 65 -10.794 5.294 -11.885 1.00 0.94 N ATOM 896 CA LYS A 65 -10.352 6.604 -12.399 1.00 0.99 C ATOM 897 C LYS A 65 -9.669 7.466 -11.333 1.00 0.96 C ATOM 898 O LYS A 65 -8.487 7.783 -11.455 1.00 1.01 O ATOM 899 CB LYS A 65 -11.548 7.357 -12.966 1.00 1.02 C ATOM 900 CG LYS A 65 -12.134 6.641 -14.185 1.00 1.09 C ATOM 901 CD LYS A 65 -13.259 7.465 -14.813 1.00 1.15 C ATOM 902 CE LYS A 65 -12.765 8.795 -15.401 1.00 1.21 C ATOM 903 NZ LYS A 65 -11.808 8.581 -16.497 1.00 1.29 N ATOM 0 H LYS A 65 -11.805 5.220 -11.776 1.00 0.94 H new ATOM 0 HA LYS A 65 -9.613 6.408 -13.176 1.00 0.99 H new ATOM 0 HB2 LYS A 65 -12.315 7.456 -12.198 1.00 1.02 H new ATOM 0 HB3 LYS A 65 -11.245 8.366 -13.246 1.00 1.02 H new ATOM 0 HG2 LYS A 65 -11.350 6.468 -14.922 1.00 1.09 H new ATOM 0 HG3 LYS A 65 -12.515 5.664 -13.889 1.00 1.09 H new ATOM 0 HD2 LYS A 65 -13.736 6.880 -15.599 1.00 1.15 H new ATOM 0 HD3 LYS A 65 -14.020 7.667 -14.059 1.00 1.15 H new ATOM 0 HE2 LYS A 65 -13.616 9.370 -15.767 1.00 1.21 H new ATOM 0 HE3 LYS A 65 -12.294 9.387 -14.617 1.00 1.21 H new ATOM 0 HZ1 LYS A 65 -11.639 9.481 -16.990 1.00 1.29 H new ATOM 0 HZ2 LYS A 65 -10.911 8.224 -16.110 1.00 1.29 H new ATOM 0 HZ3 LYS A 65 -12.197 7.887 -17.167 1.00 1.29 H new ATOM 917 N VAL A 66 -10.371 7.695 -10.226 1.00 0.90 N ATOM 918 CA VAL A 66 -9.818 8.467 -9.120 1.00 0.88 C ATOM 919 C VAL A 66 -8.581 7.776 -8.522 1.00 0.88 C ATOM 920 O VAL A 66 -7.688 8.448 -8.015 1.00 0.91 O ATOM 921 CB VAL A 66 -10.865 8.723 -8.011 1.00 0.85 C ATOM 922 CG1 VAL A 66 -12.088 9.409 -8.594 1.00 0.87 C ATOM 923 CG2 VAL A 66 -11.256 7.434 -7.304 1.00 0.85 C ATOM 0 H VAL A 66 -11.321 7.357 -10.073 1.00 0.90 H new ATOM 0 HA VAL A 66 -9.519 9.431 -9.532 1.00 0.88 H new ATOM 0 HB VAL A 66 -10.414 9.379 -7.267 1.00 0.85 H new ATOM 0 HG11 VAL A 66 -12.818 9.584 -7.804 1.00 0.87 H new ATOM 0 HG12 VAL A 66 -11.795 10.362 -9.035 1.00 0.87 H new ATOM 0 HG13 VAL A 66 -12.530 8.774 -9.362 1.00 0.87 H new ATOM 0 HG21 VAL A 66 -11.993 7.652 -6.531 1.00 0.85 H new ATOM 0 HG22 VAL A 66 -11.682 6.738 -8.026 1.00 0.85 H new ATOM 0 HG23 VAL A 66 -10.373 6.987 -6.847 1.00 0.85 H new ATOM 933 N ILE A 67 -8.520 6.433 -8.591 1.00 0.88 N ATOM 934 CA ILE A 67 -7.358 5.706 -8.070 1.00 0.91 C ATOM 935 C ILE A 67 -6.259 5.642 -9.125 1.00 0.98 C ATOM 936 O ILE A 67 -5.096 5.395 -8.810 1.00 1.05 O ATOM 937 CB ILE A 67 -7.679 4.276 -7.562 1.00 0.92 C ATOM 938 CG1 ILE A 67 -8.049 3.342 -8.721 1.00 0.93 C ATOM 939 CG2 ILE A 67 -8.783 4.313 -6.516 1.00 0.89 C ATOM 940 CD1 ILE A 67 -8.300 1.912 -8.289 1.00 1.00 C ATOM 0 H ILE A 67 -9.248 5.843 -8.995 1.00 0.88 H new ATOM 0 HA ILE A 67 -7.022 6.271 -7.201 1.00 0.91 H new ATOM 0 HB ILE A 67 -6.779 3.877 -7.094 1.00 0.92 H new ATOM 0 HG12 ILE A 67 -8.941 3.726 -9.215 1.00 0.93 H new ATOM 0 HG13 ILE A 67 -7.246 3.355 -9.458 1.00 0.93 H new ATOM 0 HG21 ILE A 67 -8.993 3.300 -6.173 1.00 0.89 H new ATOM 0 HG22 ILE A 67 -8.464 4.924 -5.671 1.00 0.89 H new ATOM 0 HG23 ILE A 67 -9.684 4.742 -6.953 1.00 0.89 H new ATOM 0 HD11 ILE A 67 -8.557 1.309 -9.160 1.00 1.00 H new ATOM 0 HD12 ILE A 67 -7.401 1.510 -7.821 1.00 1.00 H new ATOM 0 HD13 ILE A 67 -9.123 1.887 -7.575 1.00 1.00 H new ATOM 952 N GLN A 68 -6.634 5.832 -10.389 1.00 0.99 N ATOM 953 CA GLN A 68 -5.640 5.866 -11.475 1.00 1.08 C ATOM 954 C GLN A 68 -4.887 7.206 -11.474 1.00 1.06 C ATOM 955 O GLN A 68 -3.660 7.235 -11.562 1.00 1.09 O ATOM 956 CB GLN A 68 -6.336 5.661 -12.814 1.00 1.16 C ATOM 957 CG GLN A 68 -5.316 5.499 -13.934 1.00 1.27 C ATOM 958 CD GLN A 68 -6.021 5.268 -15.263 1.00 1.37 C ATOM 959 OE1 GLN A 68 -6.873 6.018 -15.716 1.00 1.41 O ATOM 960 NE2 GLN A 68 -5.612 4.206 -15.917 1.00 1.52 N ATOM 0 H GLN A 68 -7.600 5.963 -10.689 1.00 0.99 H new ATOM 0 HA GLN A 68 -4.919 5.064 -11.317 1.00 1.08 H new ATOM 0 HB2 GLN A 68 -6.974 4.778 -12.766 1.00 1.16 H new ATOM 0 HB3 GLN A 68 -6.984 6.511 -13.026 1.00 1.16 H new ATOM 0 HG2 GLN A 68 -4.690 6.389 -13.997 1.00 1.27 H new ATOM 0 HG3 GLN A 68 -4.655 4.660 -13.715 1.00 1.27 H new ATOM 0 HE21 GLN A 68 -4.899 3.600 -15.511 1.00 1.52 H new ATOM 0 HE22 GLN A 68 -6.007 3.987 -16.831 1.00 1.52 H new ATOM 969 N LYS A 69 -5.629 8.282 -11.222 1.00 1.05 N ATOM 970 CA LYS A 69 -5.063 9.626 -11.165 1.00 1.06 C ATOM 971 C LYS A 69 -4.076 9.801 -10.002 1.00 1.08 C ATOM 972 O LYS A 69 -3.176 10.636 -10.083 1.00 1.15 O ATOM 973 CB LYS A 69 -6.181 10.660 -11.044 1.00 1.03 C ATOM 974 CG LYS A 69 -7.030 10.784 -12.295 1.00 1.10 C ATOM 975 CD LYS A 69 -8.095 11.852 -12.127 1.00 1.19 C ATOM 976 CE LYS A 69 -8.895 12.051 -13.400 1.00 1.38 C ATOM 977 NZ LYS A 69 -9.896 13.142 -13.252 1.00 1.58 N ATOM 0 H LYS A 69 -6.634 8.247 -11.052 1.00 1.05 H new ATOM 0 HA LYS A 69 -4.509 9.777 -12.092 1.00 1.06 H new ATOM 0 HB2 LYS A 69 -6.823 10.393 -10.204 1.00 1.03 H new ATOM 0 HB3 LYS A 69 -5.743 11.631 -10.814 1.00 1.03 H new ATOM 0 HG2 LYS A 69 -6.395 11.029 -13.146 1.00 1.10 H new ATOM 0 HG3 LYS A 69 -7.502 9.826 -12.515 1.00 1.10 H new ATOM 0 HD2 LYS A 69 -8.766 11.572 -11.315 1.00 1.19 H new ATOM 0 HD3 LYS A 69 -7.625 12.793 -11.842 1.00 1.19 H new ATOM 0 HE2 LYS A 69 -8.219 12.285 -14.222 1.00 1.38 H new ATOM 0 HE3 LYS A 69 -9.403 11.123 -13.660 1.00 1.38 H new ATOM 0 HZ1 LYS A 69 -10.425 13.251 -14.141 1.00 1.58 H new ATOM 0 HZ2 LYS A 69 -10.556 12.906 -12.483 1.00 1.58 H new ATOM 0 HZ3 LYS A 69 -9.408 14.033 -13.028 1.00 1.58 H new ATOM 991 N ILE A 70 -4.237 9.046 -8.911 1.00 1.07 N ATOM 992 CA ILE A 70 -3.318 9.179 -7.773 1.00 1.12 C ATOM 993 C ILE A 70 -1.981 8.498 -8.061 1.00 1.25 C ATOM 994 O ILE A 70 -1.010 8.678 -7.325 1.00 1.37 O ATOM 995 CB ILE A 70 -3.903 8.625 -6.452 1.00 1.09 C ATOM 996 CG1 ILE A 70 -4.203 7.130 -6.573 1.00 1.09 C ATOM 997 CG2 ILE A 70 -5.152 9.401 -6.057 1.00 1.14 C ATOM 998 CD1 ILE A 70 -4.751 6.507 -5.305 1.00 1.19 C ATOM 0 H ILE A 70 -4.975 8.352 -8.790 1.00 1.07 H new ATOM 0 HA ILE A 70 -3.164 10.250 -7.642 1.00 1.12 H new ATOM 0 HB ILE A 70 -3.158 8.753 -5.666 1.00 1.09 H new ATOM 0 HG12 ILE A 70 -4.920 6.978 -7.380 1.00 1.09 H new ATOM 0 HG13 ILE A 70 -3.289 6.608 -6.856 1.00 1.09 H new ATOM 0 HG21 ILE A 70 -5.551 8.999 -5.126 1.00 1.14 H new ATOM 0 HG22 ILE A 70 -4.899 10.452 -5.919 1.00 1.14 H new ATOM 0 HG23 ILE A 70 -5.902 9.308 -6.843 1.00 1.14 H new ATOM 0 HD11 ILE A 70 -4.938 5.446 -5.472 1.00 1.19 H new ATOM 0 HD12 ILE A 70 -4.027 6.625 -4.499 1.00 1.19 H new ATOM 0 HD13 ILE A 70 -5.683 7.001 -5.030 1.00 1.19 H new ATOM 1010 N LEU A 71 -1.940 7.718 -9.138 1.00 1.26 N ATOM 1011 CA LEU A 71 -0.723 7.025 -9.541 1.00 1.41 C ATOM 1012 C LEU A 71 0.045 7.861 -10.561 1.00 1.52 C ATOM 1013 O LEU A 71 1.274 7.813 -10.616 1.00 1.64 O ATOM 1014 CB LEU A 71 -1.054 5.649 -10.128 1.00 1.45 C ATOM 1015 CG LEU A 71 -1.741 4.676 -9.166 1.00 1.55 C ATOM 1016 CD1 LEU A 71 -2.211 3.435 -9.910 1.00 1.67 C ATOM 1017 CD2 LEU A 71 -0.802 4.293 -8.032 1.00 1.60 C ATOM 0 H LEU A 71 -2.740 7.551 -9.748 1.00 1.26 H new ATOM 0 HA LEU A 71 -0.099 6.882 -8.659 1.00 1.41 H new ATOM 0 HB2 LEU A 71 -1.696 5.788 -10.998 1.00 1.45 H new ATOM 0 HB3 LEU A 71 -0.130 5.192 -10.483 1.00 1.45 H new ATOM 0 HG LEU A 71 -2.612 5.173 -8.738 1.00 1.55 H new ATOM 0 HD11 LEU A 71 -2.697 2.754 -9.211 1.00 1.67 H new ATOM 0 HD12 LEU A 71 -2.919 3.723 -10.687 1.00 1.67 H new ATOM 0 HD13 LEU A 71 -1.355 2.937 -10.365 1.00 1.67 H new ATOM 0 HD21 LEU A 71 -1.308 3.601 -7.359 1.00 1.60 H new ATOM 0 HD22 LEU A 71 0.088 3.815 -8.442 1.00 1.60 H new ATOM 0 HD23 LEU A 71 -0.512 5.188 -7.482 1.00 1.60 H new ATOM 1029 N ASP A 72 -0.691 8.628 -11.368 1.00 1.53 N ATOM 1030 CA ASP A 72 -0.080 9.481 -12.380 1.00 1.68 C ATOM 1031 C ASP A 72 0.391 10.788 -11.752 1.00 1.68 C ATOM 1032 O ASP A 72 1.477 11.277 -12.054 1.00 1.76 O ATOM 1033 CB ASP A 72 -1.076 9.766 -13.507 1.00 1.76 C ATOM 1034 CG ASP A 72 -0.388 10.073 -14.823 1.00 2.00 C ATOM 1035 OD1 ASP A 72 0.043 11.231 -15.013 1.00 2.06 O ATOM 1036 OD2 ASP A 72 -0.279 9.156 -15.662 1.00 2.21 O ATOM 0 H ASP A 72 -1.710 8.673 -11.338 1.00 1.53 H new ATOM 0 HA ASP A 72 0.782 8.962 -12.799 1.00 1.68 H new ATOM 0 HB2 ASP A 72 -1.732 8.905 -13.635 1.00 1.76 H new ATOM 0 HB3 ASP A 72 -1.708 10.608 -13.225 1.00 1.76 H new ATOM 1041 N GLY A 73 -0.430 11.335 -10.856 1.00 1.62 N ATOM 1042 CA GLY A 73 -0.083 12.577 -10.184 1.00 1.66 C ATOM 1043 C GLY A 73 1.066 12.403 -9.209 1.00 1.69 C ATOM 1044 O GLY A 73 1.842 13.331 -8.982 1.00 1.77 O ATOM 0 H GLY A 73 -1.330 10.939 -10.584 1.00 1.62 H new ATOM 0 HA2 GLY A 73 0.185 13.327 -10.928 1.00 1.66 H new ATOM 0 HA3 GLY A 73 -0.955 12.955 -9.650 1.00 1.66 H new ATOM 1048 N GLY A 74 1.172 11.205 -8.633 1.00 1.67 N ATOM 1049 CA GLY A 74 2.237 10.915 -7.689 1.00 1.75 C ATOM 1050 C GLY A 74 3.571 10.695 -8.379 1.00 1.85 C ATOM 1051 O GLY A 74 4.629 10.955 -7.803 1.00 2.09 O ATOM 0 H GLY A 74 0.534 10.428 -8.806 1.00 1.67 H new ATOM 0 HA2 GLY A 74 2.327 11.739 -6.982 1.00 1.75 H new ATOM 0 HA3 GLY A 74 1.977 10.027 -7.112 1.00 1.75 H new ATOM 1055 N ASN A 75 3.515 10.212 -9.620 1.00 1.80 N ATOM 1056 CA ASN A 75 4.717 9.958 -10.408 1.00 1.90 C ATOM 1057 C ASN A 75 5.198 11.247 -11.072 1.00 1.93 C ATOM 1058 O ASN A 75 6.381 11.399 -11.380 1.00 2.01 O ATOM 1059 CB ASN A 75 4.430 8.897 -11.472 1.00 1.95 C ATOM 1060 CG ASN A 75 5.691 8.354 -12.119 1.00 2.13 C ATOM 1061 OD1 ASN A 75 6.738 8.250 -11.481 1.00 2.29 O ATOM 1062 ND2 ASN A 75 5.593 8.006 -13.397 1.00 2.25 N ATOM 0 H ASN A 75 2.644 9.988 -10.102 1.00 1.80 H new ATOM 0 HA ASN A 75 5.500 9.593 -9.744 1.00 1.90 H new ATOM 0 HB2 ASN A 75 3.877 8.074 -11.018 1.00 1.95 H new ATOM 0 HB3 ASN A 75 3.788 9.326 -12.242 1.00 1.95 H new ATOM 0 HD21 ASN A 75 6.406 7.635 -13.888 1.00 2.25 H new ATOM 0 HD22 ASN A 75 4.704 8.109 -13.887 1.00 2.25 H new ATOM 1069 N LYS A 76 4.265 12.170 -11.289 1.00 1.89 N ATOM 1070 CA LYS A 76 4.575 13.453 -11.906 1.00 1.95 C ATOM 1071 C LYS A 76 5.284 14.365 -10.905 1.00 1.94 C ATOM 1072 O LYS A 76 6.061 15.240 -11.289 1.00 2.06 O ATOM 1073 CB LYS A 76 3.289 14.115 -12.418 1.00 1.98 C ATOM 1074 CG LYS A 76 3.512 15.425 -13.162 1.00 2.12 C ATOM 1075 CD LYS A 76 4.252 15.212 -14.475 1.00 2.23 C ATOM 1076 CE LYS A 76 4.648 16.536 -15.110 1.00 2.43 C ATOM 1077 NZ LYS A 76 5.605 17.296 -14.260 1.00 2.44 N ATOM 0 H LYS A 76 3.282 12.050 -11.044 1.00 1.89 H new ATOM 0 HA LYS A 76 5.242 13.285 -12.752 1.00 1.95 H new ATOM 0 HB2 LYS A 76 2.774 13.418 -13.079 1.00 1.98 H new ATOM 0 HB3 LYS A 76 2.627 14.299 -11.572 1.00 1.98 H new ATOM 0 HG2 LYS A 76 2.550 15.899 -13.360 1.00 2.12 H new ATOM 0 HG3 LYS A 76 4.080 16.109 -12.531 1.00 2.12 H new ATOM 0 HD2 LYS A 76 5.144 14.610 -14.298 1.00 2.23 H new ATOM 0 HD3 LYS A 76 3.620 14.651 -15.164 1.00 2.23 H new ATOM 0 HE2 LYS A 76 5.097 16.351 -16.086 1.00 2.43 H new ATOM 0 HE3 LYS A 76 3.756 17.138 -15.279 1.00 2.43 H new ATOM 0 HZ1 LYS A 76 6.105 17.998 -14.842 1.00 2.44 H new ATOM 0 HZ2 LYS A 76 5.085 17.783 -13.502 1.00 2.44 H new ATOM 0 HZ3 LYS A 76 6.294 16.639 -13.841 1.00 2.44 H new ATOM 1091 N GLU A 77 5.012 14.144 -9.617 1.00 1.87 N ATOM 1092 CA GLU A 77 5.628 14.931 -8.553 1.00 1.89 C ATOM 1093 C GLU A 77 7.093 14.532 -8.391 1.00 1.98 C ATOM 1094 O GLU A 77 7.399 13.399 -8.017 1.00 2.00 O ATOM 1095 CB GLU A 77 4.868 14.722 -7.237 1.00 1.87 C ATOM 1096 CG GLU A 77 4.951 15.896 -6.267 1.00 1.96 C ATOM 1097 CD GLU A 77 6.295 16.003 -5.572 1.00 2.31 C ATOM 1098 OE1 GLU A 77 6.620 15.107 -4.764 1.00 2.58 O ATOM 1099 OE2 GLU A 77 7.019 16.987 -5.829 1.00 2.70 O ATOM 0 H GLU A 77 4.368 13.425 -9.288 1.00 1.87 H new ATOM 0 HA GLU A 77 5.581 15.987 -8.818 1.00 1.89 H new ATOM 0 HB2 GLU A 77 3.820 14.528 -7.464 1.00 1.87 H new ATOM 0 HB3 GLU A 77 5.258 13.831 -6.744 1.00 1.87 H new ATOM 0 HG2 GLU A 77 4.755 16.821 -6.809 1.00 1.96 H new ATOM 0 HG3 GLU A 77 4.168 15.794 -5.516 1.00 1.96 H new ATOM 1106 N ASN A 78 7.996 15.467 -8.683 1.00 2.12 N ATOM 1107 CA ASN A 78 9.428 15.205 -8.580 1.00 2.28 C ATOM 1108 C ASN A 78 10.030 15.930 -7.379 1.00 2.39 C ATOM 1109 O ASN A 78 10.243 17.158 -7.474 1.00 2.53 O ATOM 1110 CB ASN A 78 10.146 15.630 -9.866 1.00 2.46 C ATOM 1111 CG ASN A 78 9.655 14.878 -11.093 1.00 2.45 C ATOM 1112 OD1 ASN A 78 9.601 15.427 -12.193 1.00 2.56 O ATOM 1113 ND2 ASN A 78 9.297 13.611 -10.909 1.00 2.39 N ATOM 1114 OXT ASN A 78 10.292 15.261 -6.357 1.00 2.41 O ATOM 0 H ASN A 78 7.761 16.410 -8.992 1.00 2.12 H new ATOM 0 HA ASN A 78 9.564 14.133 -8.439 1.00 2.28 H new ATOM 0 HB2 ASN A 78 10.003 16.700 -10.020 1.00 2.46 H new ATOM 0 HB3 ASN A 78 11.217 15.466 -9.750 1.00 2.46 H new ATOM 0 HD21 ASN A 78 8.962 13.056 -11.697 1.00 2.39 H new ATOM 0 HD22 ASN A 78 9.357 13.194 -9.980 1.00 2.39 H new TER 1121 ASN A 78 ATOM 1122 N LEU B 8 7.601 20.340 16.088 1.00 0.80 N ATOM 1123 CA LEU B 8 8.093 20.901 14.810 1.00 0.77 C ATOM 1124 C LEU B 8 9.562 21.355 14.958 1.00 0.77 C ATOM 1125 O LEU B 8 9.875 22.486 15.323 1.00 0.79 O ATOM 1126 CB LEU B 8 7.167 22.050 14.372 1.00 0.78 C ATOM 1127 CG LEU B 8 7.445 22.639 12.974 1.00 0.76 C ATOM 1128 CD1 LEU B 8 6.172 23.304 12.455 1.00 0.77 C ATOM 1129 CD2 LEU B 8 8.529 23.722 12.970 1.00 0.77 C ATOM 0 HA LEU B 8 8.073 20.138 14.032 1.00 0.77 H new ATOM 0 HB2 LEU B 8 6.138 21.692 14.397 1.00 0.78 H new ATOM 0 HB3 LEU B 8 7.243 22.853 15.106 1.00 0.78 H new ATOM 0 HG LEU B 8 7.781 21.806 12.356 1.00 0.76 H new ATOM 0 HD11 LEU B 8 6.358 23.724 11.466 1.00 0.77 H new ATOM 0 HD12 LEU B 8 5.375 22.563 12.391 1.00 0.77 H new ATOM 0 HD13 LEU B 8 5.873 24.100 13.137 1.00 0.77 H new ATOM 0 HD21 LEU B 8 8.671 24.090 11.954 1.00 0.77 H new ATOM 0 HD22 LEU B 8 8.223 24.546 13.615 1.00 0.77 H new ATOM 0 HD23 LEU B 8 9.465 23.301 13.338 1.00 0.77 H new ATOM 1141 N ARG B 9 10.428 20.357 14.897 1.00 0.75 N ATOM 1142 CA ARG B 9 11.880 20.586 15.022 1.00 0.75 C ATOM 1143 C ARG B 9 12.654 19.871 13.914 1.00 0.72 C ATOM 1144 O ARG B 9 13.251 20.510 13.053 1.00 0.71 O ATOM 1145 CB ARG B 9 12.393 20.251 16.434 1.00 0.79 C ATOM 1146 CG ARG B 9 12.121 18.808 16.877 1.00 0.79 C ATOM 1147 CD ARG B 9 12.831 18.475 18.186 1.00 0.82 C ATOM 1148 NE ARG B 9 12.607 17.054 18.512 1.00 0.82 N ATOM 1149 CZ ARG B 9 11.489 16.510 18.995 1.00 0.83 C ATOM 1150 NH1 ARG B 9 10.403 17.237 19.235 1.00 0.85 N ATOM 1151 NH2 ARG B 9 11.458 15.217 19.291 1.00 0.84 N ATOM 0 H ARG B 9 10.165 19.381 14.763 1.00 0.75 H new ATOM 0 HA ARG B 9 12.064 21.652 14.885 1.00 0.75 H new ATOM 0 HB2 ARG B 9 13.467 20.434 16.471 1.00 0.79 H new ATOM 0 HB3 ARG B 9 11.929 20.932 17.148 1.00 0.79 H new ATOM 0 HG2 ARG B 9 11.048 18.661 16.998 1.00 0.79 H new ATOM 0 HG3 ARG B 9 12.452 18.120 16.099 1.00 0.79 H new ATOM 0 HD2 ARG B 9 13.899 18.676 18.096 1.00 0.82 H new ATOM 0 HD3 ARG B 9 12.454 19.108 18.989 1.00 0.82 H new ATOM 0 HE ARG B 9 13.390 16.420 18.351 1.00 0.82 H new ATOM 0 HH11 ARG B 9 10.409 18.240 19.050 1.00 0.85 H new ATOM 0 HH12 ARG B 9 9.563 16.792 19.605 1.00 0.85 H new ATOM 0 HH21 ARG B 9 12.288 14.641 19.149 1.00 0.84 H new ATOM 0 HH22 ARG B 9 10.604 14.799 19.660 1.00 0.84 H new ATOM 1165 N GLU B 10 12.591 18.537 13.936 1.00 0.71 N ATOM 1166 CA GLU B 10 13.367 17.666 13.047 1.00 0.68 C ATOM 1167 C GLU B 10 12.636 16.342 12.821 1.00 0.66 C ATOM 1168 O GLU B 10 12.320 15.621 13.771 1.00 0.68 O ATOM 1169 CB GLU B 10 14.735 17.365 13.670 1.00 0.70 C ATOM 1170 CG GLU B 10 15.617 18.612 13.797 1.00 0.72 C ATOM 1171 CD GLU B 10 17.010 18.324 14.359 1.00 0.75 C ATOM 1172 OE1 GLU B 10 17.490 17.187 14.160 1.00 0.74 O ATOM 1173 OE2 GLU B 10 17.571 19.263 14.961 1.00 0.77 O ATOM 0 H GLU B 10 11.991 18.023 14.581 1.00 0.71 H new ATOM 0 HA GLU B 10 13.493 18.182 12.095 1.00 0.68 H new ATOM 0 HB2 GLU B 10 14.591 16.925 14.657 1.00 0.70 H new ATOM 0 HB3 GLU B 10 15.250 16.621 13.062 1.00 0.70 H new ATOM 0 HG2 GLU B 10 15.719 19.076 12.816 1.00 0.72 H new ATOM 0 HG3 GLU B 10 15.117 19.336 14.441 1.00 0.72 H new ATOM 1180 N LEU B 11 12.249 16.151 11.573 1.00 0.63 N ATOM 1181 CA LEU B 11 11.549 14.932 11.134 1.00 0.61 C ATOM 1182 C LEU B 11 12.279 14.300 9.951 1.00 0.58 C ATOM 1183 O LEU B 11 12.757 14.995 9.051 1.00 0.57 O ATOM 1184 CB LEU B 11 10.115 15.287 10.739 1.00 0.60 C ATOM 1185 CG LEU B 11 9.320 15.811 11.936 1.00 0.64 C ATOM 1186 CD1 LEU B 11 8.722 17.178 11.605 1.00 0.65 C ATOM 1187 CD2 LEU B 11 8.235 14.812 12.332 1.00 0.64 C ATOM 0 H LEU B 11 12.405 16.829 10.827 1.00 0.63 H new ATOM 0 HA LEU B 11 11.532 14.212 11.953 1.00 0.61 H new ATOM 0 HB2 LEU B 11 10.129 16.040 9.951 1.00 0.60 H new ATOM 0 HB3 LEU B 11 9.620 14.406 10.329 1.00 0.60 H new ATOM 0 HG LEU B 11 9.990 15.929 12.788 1.00 0.64 H new ATOM 0 HD11 LEU B 11 8.157 17.545 12.462 1.00 0.65 H new ATOM 0 HD12 LEU B 11 9.523 17.879 11.371 1.00 0.65 H new ATOM 0 HD13 LEU B 11 8.058 17.086 10.745 1.00 0.65 H new ATOM 0 HD21 LEU B 11 7.678 15.199 13.185 1.00 0.64 H new ATOM 0 HD22 LEU B 11 7.556 14.661 11.493 1.00 0.64 H new ATOM 0 HD23 LEU B 11 8.696 13.862 12.601 1.00 0.64 H new ATOM 1199 N ARG B 12 12.330 12.982 9.992 1.00 0.57 N ATOM 1200 CA ARG B 12 13.063 12.182 8.991 1.00 0.55 C ATOM 1201 C ARG B 12 12.044 11.513 8.072 1.00 0.52 C ATOM 1202 O ARG B 12 10.953 11.141 8.510 1.00 0.52 O ATOM 1203 CB ARG B 12 13.893 11.097 9.700 1.00 0.57 C ATOM 1204 CG ARG B 12 14.669 11.580 10.936 1.00 0.60 C ATOM 1205 CD ARG B 12 15.492 12.829 10.620 1.00 0.61 C ATOM 1206 NE ARG B 12 16.342 13.214 11.749 1.00 0.65 N ATOM 1207 CZ ARG B 12 17.655 13.048 11.705 1.00 0.67 C ATOM 1208 NH1 ARG B 12 18.194 11.866 11.970 1.00 0.68 N ATOM 1209 NH2 ARG B 12 18.433 14.094 11.488 1.00 0.68 N ATOM 0 H ARG B 12 11.871 12.424 10.712 1.00 0.57 H new ATOM 0 HA ARG B 12 13.731 12.825 8.417 1.00 0.55 H new ATOM 0 HB2 ARG B 12 13.226 10.289 10.001 1.00 0.57 H new ATOM 0 HB3 ARG B 12 14.601 10.677 8.986 1.00 0.57 H new ATOM 0 HG2 ARG B 12 13.971 11.796 11.745 1.00 0.60 H new ATOM 0 HG3 ARG B 12 15.328 10.786 11.288 1.00 0.60 H new ATOM 0 HD2 ARG B 12 16.112 12.644 9.743 1.00 0.61 H new ATOM 0 HD3 ARG B 12 14.823 13.653 10.370 1.00 0.61 H new ATOM 0 HE ARG B 12 15.915 13.617 12.583 1.00 0.65 H new ATOM 0 HH11 ARG B 12 17.596 11.075 12.210 1.00 0.68 H new ATOM 0 HH12 ARG B 12 19.206 11.747 11.934 1.00 0.68 H new ATOM 0 HH21 ARG B 12 18.021 15.018 11.356 1.00 0.68 H new ATOM 0 HH22 ARG B 12 19.446 13.978 11.452 1.00 0.68 H new ATOM 1223 N CYS B 13 12.416 11.356 6.804 1.00 0.50 N ATOM 1224 CA CYS B 13 11.598 10.593 5.845 1.00 0.48 C ATOM 1225 C CYS B 13 11.328 9.183 6.395 1.00 0.48 C ATOM 1226 O CYS B 13 12.126 8.643 7.160 1.00 0.49 O ATOM 1227 CB CYS B 13 12.343 10.491 4.514 1.00 0.47 C ATOM 1228 SG CYS B 13 12.322 12.024 3.514 1.00 0.48 S ATOM 0 H CYS B 13 13.274 11.743 6.411 1.00 0.50 H new ATOM 0 HA CYS B 13 10.647 11.104 5.694 1.00 0.48 H new ATOM 0 HB2 CYS B 13 13.379 10.215 4.712 1.00 0.47 H new ATOM 0 HB3 CYS B 13 11.905 9.683 3.928 1.00 0.47 H new ATOM 1233 N VAL B 14 10.191 8.615 5.998 1.00 0.46 N ATOM 1234 CA VAL B 14 9.826 7.235 6.413 1.00 0.46 C ATOM 1235 C VAL B 14 10.877 6.206 5.940 1.00 0.46 C ATOM 1236 O VAL B 14 11.106 5.181 6.574 1.00 0.47 O ATOM 1237 CB VAL B 14 8.380 6.881 5.991 1.00 0.45 C ATOM 1238 CG1 VAL B 14 8.136 6.808 4.482 1.00 0.43 C ATOM 1239 CG2 VAL B 14 7.907 5.572 6.628 1.00 0.46 C ATOM 0 H VAL B 14 9.505 9.071 5.397 1.00 0.46 H new ATOM 0 HA VAL B 14 9.837 7.192 7.502 1.00 0.46 H new ATOM 0 HB VAL B 14 7.797 7.724 6.363 1.00 0.45 H new ATOM 0 HG11 VAL B 14 7.093 6.554 4.294 1.00 0.43 H new ATOM 0 HG12 VAL B 14 8.361 7.774 4.030 1.00 0.43 H new ATOM 0 HG13 VAL B 14 8.780 6.044 4.046 1.00 0.43 H new ATOM 0 HG21 VAL B 14 6.887 5.359 6.307 1.00 0.46 H new ATOM 0 HG22 VAL B 14 8.563 4.759 6.318 1.00 0.46 H new ATOM 0 HG23 VAL B 14 7.933 5.665 7.714 1.00 0.46 H new ATOM 1249 N CYS B 15 11.487 6.522 4.801 1.00 0.45 N ATOM 1250 CA CYS B 15 12.535 5.716 4.161 1.00 0.45 C ATOM 1251 C CYS B 15 13.843 6.493 4.047 1.00 0.47 C ATOM 1252 O CYS B 15 13.950 7.435 3.260 1.00 0.47 O ATOM 1253 CB CYS B 15 12.102 5.326 2.752 1.00 0.43 C ATOM 1254 SG CYS B 15 10.818 4.041 2.743 1.00 0.42 S ATOM 0 H CYS B 15 11.263 7.369 4.279 1.00 0.45 H new ATOM 0 HA CYS B 15 12.689 4.833 4.781 1.00 0.45 H new ATOM 0 HB2 CYS B 15 11.730 6.209 2.233 1.00 0.43 H new ATOM 0 HB3 CYS B 15 12.969 4.971 2.195 1.00 0.43 H new ATOM 1259 N LEU B 16 14.776 6.140 4.921 1.00 0.49 N ATOM 1260 CA LEU B 16 16.133 6.719 4.879 1.00 0.52 C ATOM 1261 C LEU B 16 17.063 6.040 3.862 1.00 0.54 C ATOM 1262 O LEU B 16 17.906 6.690 3.237 1.00 0.55 O ATOM 1263 CB LEU B 16 16.760 6.721 6.277 1.00 0.55 C ATOM 1264 CG LEU B 16 16.023 7.645 7.257 1.00 0.55 C ATOM 1265 CD1 LEU B 16 16.661 7.535 8.642 1.00 0.58 C ATOM 1266 CD2 LEU B 16 16.040 9.109 6.790 1.00 0.54 C ATOM 0 H LEU B 16 14.630 5.460 5.668 1.00 0.49 H new ATOM 0 HA LEU B 16 16.016 7.747 4.535 1.00 0.52 H new ATOM 0 HB2 LEU B 16 16.760 5.705 6.672 1.00 0.55 H new ATOM 0 HB3 LEU B 16 17.802 7.034 6.203 1.00 0.55 H new ATOM 0 HG LEU B 16 14.982 7.325 7.299 1.00 0.55 H new ATOM 0 HD11 LEU B 16 16.137 8.191 9.337 1.00 0.58 H new ATOM 0 HD12 LEU B 16 16.593 6.505 8.993 1.00 0.58 H new ATOM 0 HD13 LEU B 16 17.709 7.830 8.584 1.00 0.58 H new ATOM 0 HD21 LEU B 16 15.508 9.728 7.513 1.00 0.54 H new ATOM 0 HD22 LEU B 16 17.071 9.453 6.708 1.00 0.54 H new ATOM 0 HD23 LEU B 16 15.553 9.186 5.818 1.00 0.54 H new ATOM 1278 N GLN B 17 16.870 4.750 3.685 1.00 0.53 N ATOM 1279 CA GLN B 17 17.654 3.901 2.782 1.00 0.55 C ATOM 1280 C GLN B 17 16.782 3.437 1.603 1.00 0.53 C ATOM 1281 O GLN B 17 15.594 3.747 1.512 1.00 0.50 O ATOM 1282 CB GLN B 17 18.253 2.706 3.549 1.00 0.58 C ATOM 1283 CG GLN B 17 17.251 1.642 4.030 1.00 0.56 C ATOM 1284 CD GLN B 17 16.322 2.083 5.171 1.00 0.55 C ATOM 1285 OE1 GLN B 17 16.399 3.136 5.783 1.00 0.55 O ATOM 1286 NE2 GLN B 17 15.393 1.227 5.510 1.00 0.54 N ATOM 0 H GLN B 17 16.140 4.236 4.178 1.00 0.53 H new ATOM 0 HA GLN B 17 18.484 4.481 2.378 1.00 0.55 H new ATOM 0 HB2 GLN B 17 18.988 2.220 2.908 1.00 0.58 H new ATOM 0 HB3 GLN B 17 18.790 3.089 4.417 1.00 0.58 H new ATOM 0 HG2 GLN B 17 16.638 1.335 3.183 1.00 0.56 H new ATOM 0 HG3 GLN B 17 17.808 0.763 4.356 1.00 0.56 H new ATOM 0 HE21 GLN B 17 15.310 0.341 5.012 1.00 0.54 H new ATOM 0 HE22 GLN B 17 14.751 1.446 6.272 1.00 0.54 H new ATOM 1295 N THR B 18 17.408 2.642 0.754 1.00 0.55 N ATOM 1296 CA THR B 18 16.762 2.055 -0.432 1.00 0.54 C ATOM 1297 C THR B 18 16.981 0.533 -0.492 1.00 0.55 C ATOM 1298 O THR B 18 17.572 -0.071 0.409 1.00 0.57 O ATOM 1299 CB THR B 18 17.288 2.797 -1.673 1.00 0.56 C ATOM 1300 OG1 THR B 18 16.560 2.344 -2.811 1.00 0.55 O ATOM 1301 CG2 THR B 18 18.797 2.633 -1.906 1.00 0.60 C ATOM 0 H THR B 18 18.387 2.376 0.859 1.00 0.55 H new ATOM 0 HA THR B 18 15.680 2.182 -0.385 1.00 0.54 H new ATOM 0 HB THR B 18 17.135 3.863 -1.504 1.00 0.56 H new ATOM 0 HG1 THR B 18 15.599 2.385 -2.622 1.00 0.55 H new ATOM 0 HG21 THR B 18 19.089 3.185 -2.799 1.00 0.60 H new ATOM 0 HG22 THR B 18 19.342 3.020 -1.045 1.00 0.60 H new ATOM 0 HG23 THR B 18 19.032 1.577 -2.039 1.00 0.60 H new ATOM 1309 N THR B 19 16.586 -0.063 -1.611 1.00 0.55 N ATOM 1310 CA THR B 19 16.690 -1.502 -1.903 1.00 0.57 C ATOM 1311 C THR B 19 16.662 -1.737 -3.425 1.00 0.58 C ATOM 1312 O THR B 19 16.089 -0.959 -4.196 1.00 0.57 O ATOM 1313 CB THR B 19 15.542 -2.263 -1.206 1.00 0.54 C ATOM 1314 OG1 THR B 19 15.599 -2.032 0.207 1.00 0.54 O ATOM 1315 CG2 THR B 19 15.578 -3.777 -1.428 1.00 0.56 C ATOM 0 H THR B 19 16.165 0.460 -2.379 1.00 0.55 H new ATOM 0 HA THR B 19 17.637 -1.880 -1.518 1.00 0.57 H new ATOM 0 HB THR B 19 14.623 -1.881 -1.650 1.00 0.54 H new ATOM 0 HG1 THR B 19 15.044 -1.257 0.434 1.00 0.54 H new ATOM 0 HG21 THR B 19 14.740 -4.241 -0.907 1.00 0.56 H new ATOM 0 HG22 THR B 19 15.506 -3.990 -2.494 1.00 0.56 H new ATOM 0 HG23 THR B 19 16.514 -4.179 -1.040 1.00 0.56 H new ATOM 1323 N GLN B 20 17.302 -2.831 -3.806 1.00 0.61 N ATOM 1324 CA GLN B 20 17.387 -3.333 -5.180 1.00 0.64 C ATOM 1325 C GLN B 20 16.979 -4.806 -5.283 1.00 0.64 C ATOM 1326 O GLN B 20 17.780 -5.727 -5.438 1.00 0.68 O ATOM 1327 CB GLN B 20 18.779 -3.063 -5.790 1.00 0.68 C ATOM 1328 CG GLN B 20 19.978 -3.780 -5.158 1.00 0.72 C ATOM 1329 CD GLN B 20 20.297 -3.387 -3.713 1.00 0.70 C ATOM 1330 OE1 GLN B 20 19.868 -2.404 -3.131 1.00 0.68 O ATOM 1331 NE2 GLN B 20 21.145 -4.168 -3.097 1.00 0.73 N ATOM 0 H GLN B 20 17.800 -3.423 -3.142 1.00 0.61 H new ATOM 0 HA GLN B 20 16.663 -2.777 -5.776 1.00 0.64 H new ATOM 0 HB2 GLN B 20 18.743 -3.334 -6.845 1.00 0.68 H new ATOM 0 HB3 GLN B 20 18.965 -1.990 -5.743 1.00 0.68 H new ATOM 0 HG2 GLN B 20 19.795 -4.854 -5.192 1.00 0.72 H new ATOM 0 HG3 GLN B 20 20.858 -3.587 -5.771 1.00 0.72 H new ATOM 0 HE21 GLN B 20 21.513 -4.994 -3.569 1.00 0.73 H new ATOM 0 HE22 GLN B 20 21.438 -3.952 -2.144 1.00 0.73 H new ATOM 1340 N GLY B 21 15.667 -4.999 -5.136 1.00 0.61 N ATOM 1341 CA GLY B 21 15.105 -6.332 -5.328 1.00 0.61 C ATOM 1342 C GLY B 21 14.831 -6.605 -6.822 1.00 0.63 C ATOM 1343 O GLY B 21 14.979 -5.691 -7.627 1.00 0.64 O ATOM 0 H GLY B 21 14.994 -4.273 -4.892 1.00 0.61 H new ATOM 0 HA2 GLY B 21 15.794 -7.081 -4.938 1.00 0.61 H new ATOM 0 HA3 GLY B 21 14.179 -6.425 -4.761 1.00 0.61 H new ATOM 1347 N VAL B 22 14.268 -7.729 -7.245 1.00 0.64 N ATOM 1348 CA VAL B 22 13.622 -8.918 -6.608 1.00 0.63 C ATOM 1349 C VAL B 22 12.377 -9.244 -7.462 1.00 0.62 C ATOM 1350 O VAL B 22 12.140 -8.615 -8.487 1.00 0.63 O ATOM 1351 CB VAL B 22 13.258 -8.781 -5.101 1.00 0.60 C ATOM 1352 CG1 VAL B 22 12.086 -7.832 -4.798 1.00 0.56 C ATOM 1353 CG2 VAL B 22 13.125 -10.132 -4.387 1.00 0.61 C ATOM 0 H VAL B 22 14.241 -7.871 -8.255 1.00 0.64 H new ATOM 0 HA VAL B 22 14.353 -9.726 -6.595 1.00 0.63 H new ATOM 0 HB VAL B 22 14.127 -8.284 -4.669 1.00 0.60 H new ATOM 0 HG11 VAL B 22 11.909 -7.804 -3.723 1.00 0.56 H new ATOM 0 HG12 VAL B 22 12.328 -6.830 -5.152 1.00 0.56 H new ATOM 0 HG13 VAL B 22 11.189 -8.189 -5.304 1.00 0.56 H new ATOM 0 HG21 VAL B 22 12.870 -9.967 -3.340 1.00 0.61 H new ATOM 0 HG22 VAL B 22 12.340 -10.719 -4.863 1.00 0.61 H new ATOM 0 HG23 VAL B 22 14.070 -10.671 -4.450 1.00 0.61 H new ATOM 1363 N HIS B 23 11.551 -10.176 -7.000 1.00 0.61 N ATOM 1364 CA HIS B 23 10.284 -10.494 -7.666 1.00 0.61 C ATOM 1365 C HIS B 23 9.102 -10.189 -6.724 1.00 0.57 C ATOM 1366 O HIS B 23 9.193 -10.465 -5.521 1.00 0.56 O ATOM 1367 CB HIS B 23 10.309 -11.964 -8.102 1.00 0.64 C ATOM 1368 CG HIS B 23 9.153 -12.295 -9.051 1.00 0.64 C ATOM 1369 ND1 HIS B 23 7.897 -12.510 -8.675 1.00 0.63 N ATOM 1370 CD2 HIS B 23 9.213 -12.452 -10.369 1.00 0.67 C ATOM 1371 CE1 HIS B 23 7.179 -12.816 -9.754 1.00 0.65 C ATOM 1372 NE2 HIS B 23 7.996 -12.783 -10.802 1.00 0.68 N ATOM 0 H HIS B 23 11.734 -10.730 -6.163 1.00 0.61 H new ATOM 0 HA HIS B 23 10.155 -9.875 -8.554 1.00 0.61 H new ATOM 0 HB2 HIS B 23 11.257 -12.181 -8.594 1.00 0.64 H new ATOM 0 HB3 HIS B 23 10.252 -12.605 -7.222 1.00 0.64 H new ATOM 0 HD2 HIS B 23 10.094 -12.332 -10.983 1.00 0.67 H new ATOM 0 HE1 HIS B 23 6.125 -13.049 -9.774 1.00 0.65 H new ATOM 0 HE2 HIS B 23 7.737 -12.977 -11.769 1.00 0.68 H new ATOM 1380 N PRO B 24 7.989 -9.694 -7.294 1.00 0.57 N ATOM 1381 CA PRO B 24 6.713 -9.454 -6.588 1.00 0.55 C ATOM 1382 C PRO B 24 6.234 -10.672 -5.802 1.00 0.55 C ATOM 1383 O PRO B 24 5.452 -10.515 -4.874 1.00 0.53 O ATOM 1384 CB PRO B 24 5.680 -9.236 -7.686 1.00 0.56 C ATOM 1385 CG PRO B 24 6.488 -8.630 -8.819 1.00 0.58 C ATOM 1386 CD PRO B 24 7.849 -9.301 -8.713 1.00 0.59 C ATOM 0 HA PRO B 24 6.844 -8.624 -5.894 1.00 0.55 H new ATOM 0 HB2 PRO B 24 5.209 -10.172 -7.985 1.00 0.56 H new ATOM 0 HB3 PRO B 24 4.883 -8.568 -7.360 1.00 0.56 H new ATOM 0 HG2 PRO B 24 6.024 -8.823 -9.786 1.00 0.58 H new ATOM 0 HG3 PRO B 24 6.569 -7.548 -8.715 1.00 0.58 H new ATOM 0 HD2 PRO B 24 7.910 -10.170 -9.368 1.00 0.59 H new ATOM 0 HD3 PRO B 24 8.646 -8.620 -9.012 1.00 0.59 H new ATOM 1394 N LYS B 25 6.706 -11.861 -6.176 1.00 0.57 N ATOM 1395 CA LYS B 25 6.362 -13.136 -5.533 1.00 0.58 C ATOM 1396 C LYS B 25 6.564 -13.103 -4.007 1.00 0.56 C ATOM 1397 O LYS B 25 5.838 -13.756 -3.267 1.00 0.57 O ATOM 1398 CB LYS B 25 7.229 -14.238 -6.139 1.00 0.61 C ATOM 1399 CG LYS B 25 6.418 -15.524 -6.288 1.00 0.62 C ATOM 1400 CD LYS B 25 7.223 -16.662 -6.916 1.00 0.66 C ATOM 1401 CE LYS B 25 8.299 -17.195 -5.969 1.00 0.67 C ATOM 1402 NZ LYS B 25 8.210 -18.657 -5.888 1.00 0.69 N ATOM 0 H LYS B 25 7.356 -11.971 -6.955 1.00 0.57 H new ATOM 0 HA LYS B 25 5.304 -13.327 -5.711 1.00 0.58 H new ATOM 0 HB2 LYS B 25 7.605 -13.922 -7.112 1.00 0.61 H new ATOM 0 HB3 LYS B 25 8.097 -14.418 -5.505 1.00 0.61 H new ATOM 0 HG2 LYS B 25 6.058 -15.837 -5.308 1.00 0.62 H new ATOM 0 HG3 LYS B 25 5.539 -15.325 -6.901 1.00 0.62 H new ATOM 0 HD2 LYS B 25 6.549 -17.473 -7.192 1.00 0.66 H new ATOM 0 HD3 LYS B 25 7.691 -16.310 -7.835 1.00 0.66 H new ATOM 0 HE2 LYS B 25 9.287 -16.901 -6.324 1.00 0.67 H new ATOM 0 HE3 LYS B 25 8.173 -16.758 -4.978 1.00 0.67 H new ATOM 0 HZ1 LYS B 25 8.944 -19.014 -5.243 1.00 0.69 H new ATOM 0 HZ2 LYS B 25 7.272 -18.928 -5.530 1.00 0.69 H new ATOM 0 HZ3 LYS B 25 8.351 -19.066 -6.834 1.00 0.69 H new ATOM 1416 N MET B 26 7.510 -12.271 -3.571 1.00 0.55 N ATOM 1417 CA MET B 26 7.785 -12.037 -2.140 1.00 0.55 C ATOM 1418 C MET B 26 6.933 -10.913 -1.527 1.00 0.52 C ATOM 1419 O MET B 26 6.797 -10.809 -0.304 1.00 0.52 O ATOM 1420 CB MET B 26 9.278 -11.762 -1.938 1.00 0.57 C ATOM 1421 CG MET B 26 10.141 -13.008 -2.187 1.00 0.64 C ATOM 1422 SD MET B 26 9.963 -14.317 -0.918 1.00 0.75 S ATOM 1423 CE MET B 26 9.183 -15.623 -1.845 1.00 0.95 C ATOM 0 H MET B 26 8.113 -11.736 -4.196 1.00 0.55 H new ATOM 0 HA MET B 26 7.502 -12.946 -1.609 1.00 0.55 H new ATOM 0 HB2 MET B 26 9.592 -10.965 -2.612 1.00 0.57 H new ATOM 0 HB3 MET B 26 9.445 -11.405 -0.922 1.00 0.57 H new ATOM 0 HG2 MET B 26 9.883 -13.425 -3.160 1.00 0.64 H new ATOM 0 HG3 MET B 26 11.187 -12.707 -2.236 1.00 0.64 H new ATOM 0 HE1 MET B 26 9.016 -16.482 -1.194 1.00 0.95 H new ATOM 0 HE2 MET B 26 8.227 -15.272 -2.235 1.00 0.95 H new ATOM 0 HE3 MET B 26 9.827 -15.916 -2.674 1.00 0.95 H new ATOM 1433 N ILE B 27 6.378 -10.055 -2.379 1.00 0.50 N ATOM 1434 CA ILE B 27 5.565 -8.923 -1.925 1.00 0.48 C ATOM 1435 C ILE B 27 4.080 -9.294 -1.845 1.00 0.49 C ATOM 1436 O ILE B 27 3.596 -10.123 -2.615 1.00 0.56 O ATOM 1437 CB ILE B 27 5.729 -7.707 -2.869 1.00 0.52 C ATOM 1438 CG1 ILE B 27 7.198 -7.534 -3.287 1.00 0.56 C ATOM 1439 CG2 ILE B 27 5.212 -6.436 -2.208 1.00 0.53 C ATOM 1440 CD1 ILE B 27 8.137 -7.230 -2.136 1.00 0.58 C ATOM 0 H ILE B 27 6.475 -10.120 -3.392 1.00 0.50 H new ATOM 0 HA ILE B 27 5.919 -8.660 -0.928 1.00 0.48 H new ATOM 0 HB ILE B 27 5.137 -7.895 -3.765 1.00 0.52 H new ATOM 0 HG12 ILE B 27 7.533 -8.444 -3.784 1.00 0.56 H new ATOM 0 HG13 ILE B 27 7.264 -6.728 -4.018 1.00 0.56 H new ATOM 0 HG21 ILE B 27 5.337 -5.595 -2.889 1.00 0.53 H new ATOM 0 HG22 ILE B 27 4.155 -6.555 -1.968 1.00 0.53 H new ATOM 0 HG23 ILE B 27 5.773 -6.248 -1.292 1.00 0.53 H new ATOM 0 HD11 ILE B 27 9.154 -7.122 -2.514 1.00 0.58 H new ATOM 0 HD12 ILE B 27 7.830 -6.303 -1.651 1.00 0.58 H new ATOM 0 HD13 ILE B 27 8.103 -8.046 -1.414 1.00 0.58 H new ATOM 1452 N SER B 28 3.362 -8.670 -0.905 1.00 0.47 N ATOM 1453 CA SER B 28 1.936 -8.924 -0.722 1.00 0.54 C ATOM 1454 C SER B 28 1.204 -7.660 -0.254 1.00 0.55 C ATOM 1455 O SER B 28 0.018 -7.705 0.074 1.00 0.70 O ATOM 1456 CB SER B 28 1.725 -10.056 0.291 1.00 0.61 C ATOM 1457 OG SER B 28 2.281 -11.274 -0.175 1.00 0.68 O ATOM 0 H SER B 28 3.751 -7.983 -0.259 1.00 0.47 H new ATOM 0 HA SER B 28 1.521 -9.222 -1.685 1.00 0.54 H new ATOM 0 HB2 SER B 28 2.183 -9.785 1.243 1.00 0.61 H new ATOM 0 HB3 SER B 28 0.659 -10.188 0.476 1.00 0.61 H new ATOM 0 HG SER B 28 1.560 -11.899 -0.396 1.00 0.68 H new ATOM 1463 N ASN B 29 1.922 -6.533 -0.234 1.00 0.49 N ATOM 1464 CA ASN B 29 1.349 -5.253 0.198 1.00 0.50 C ATOM 1465 C ASN B 29 2.156 -4.081 -0.368 1.00 0.49 C ATOM 1466 O ASN B 29 3.387 -4.081 -0.314 1.00 0.49 O ATOM 1467 CB ASN B 29 1.315 -5.190 1.735 1.00 0.54 C ATOM 1468 CG ASN B 29 1.166 -3.779 2.280 1.00 0.58 C ATOM 1469 OD1 ASN B 29 0.061 -3.237 2.347 1.00 0.67 O ATOM 1470 ND2 ASN B 29 2.279 -3.178 2.685 1.00 0.83 N ATOM 0 H ASN B 29 2.902 -6.480 -0.512 1.00 0.49 H new ATOM 0 HA ASN B 29 0.331 -5.178 -0.183 1.00 0.50 H new ATOM 0 HB2 ASN B 29 0.488 -5.800 2.098 1.00 0.54 H new ATOM 0 HB3 ASN B 29 2.232 -5.629 2.129 1.00 0.54 H new ATOM 0 HD21 ASN B 29 2.238 -2.234 3.068 1.00 0.83 H new ATOM 0 HD22 ASN B 29 3.175 -3.661 2.613 1.00 0.83 H new ATOM 1477 N LEU B 30 1.453 -3.085 -0.913 1.00 0.53 N ATOM 1478 CA LEU B 30 2.105 -1.906 -1.483 1.00 0.55 C ATOM 1479 C LEU B 30 1.496 -0.621 -0.931 1.00 0.56 C ATOM 1480 O LEU B 30 0.299 -0.382 -1.063 1.00 0.75 O ATOM 1481 CB LEU B 30 1.999 -1.918 -3.012 1.00 0.60 C ATOM 1482 CG LEU B 30 2.566 -0.678 -3.711 1.00 0.69 C ATOM 1483 CD1 LEU B 30 4.075 -0.607 -3.535 1.00 0.74 C ATOM 1484 CD2 LEU B 30 2.201 -0.681 -5.187 1.00 0.75 C ATOM 0 H LEU B 30 0.435 -3.072 -0.971 1.00 0.53 H new ATOM 0 HA LEU B 30 3.157 -1.939 -1.200 1.00 0.55 H new ATOM 0 HB2 LEU B 30 2.518 -2.799 -3.390 1.00 0.60 H new ATOM 0 HB3 LEU B 30 0.950 -2.024 -3.287 1.00 0.60 H new ATOM 0 HG LEU B 30 2.124 0.206 -3.250 1.00 0.69 H new ATOM 0 HD11 LEU B 30 4.459 0.280 -4.038 1.00 0.74 H new ATOM 0 HD12 LEU B 30 4.315 -0.554 -2.473 1.00 0.74 H new ATOM 0 HD13 LEU B 30 4.534 -1.496 -3.967 1.00 0.74 H new ATOM 0 HD21 LEU B 30 2.613 0.208 -5.665 1.00 0.75 H new ATOM 0 HD22 LEU B 30 2.612 -1.572 -5.662 1.00 0.75 H new ATOM 0 HD23 LEU B 30 1.116 -0.681 -5.294 1.00 0.75 H new ATOM 1496 N GLN B 31 2.335 0.210 -0.322 1.00 0.50 N ATOM 1497 CA GLN B 31 1.886 1.475 0.249 1.00 0.50 C ATOM 1498 C GLN B 31 2.595 2.655 -0.415 1.00 0.51 C ATOM 1499 O GLN B 31 3.824 2.748 -0.392 1.00 0.60 O ATOM 1500 CB GLN B 31 2.136 1.493 1.760 1.00 0.53 C ATOM 1501 CG GLN B 31 1.364 0.428 2.523 1.00 0.57 C ATOM 1502 CD GLN B 31 1.824 0.288 3.961 1.00 0.75 C ATOM 1503 OE1 GLN B 31 2.726 -0.493 4.262 1.00 1.08 O ATOM 1504 NE2 GLN B 31 1.203 1.044 4.860 1.00 1.01 N ATOM 0 H GLN B 31 3.333 0.030 -0.211 1.00 0.50 H new ATOM 0 HA GLN B 31 0.816 1.570 0.065 1.00 0.50 H new ATOM 0 HB2 GLN B 31 3.202 1.358 1.944 1.00 0.53 H new ATOM 0 HB3 GLN B 31 1.867 2.474 2.152 1.00 0.53 H new ATOM 0 HG2 GLN B 31 0.302 0.674 2.508 1.00 0.57 H new ATOM 0 HG3 GLN B 31 1.476 -0.530 2.015 1.00 0.57 H new ATOM 0 HE21 GLN B 31 0.460 1.678 4.567 1.00 1.01 H new ATOM 0 HE22 GLN B 31 1.469 0.990 5.843 1.00 1.01 H new ATOM 1513 N VAL B 32 1.810 3.549 -1.013 1.00 0.49 N ATOM 1514 CA VAL B 32 2.348 4.727 -1.688 1.00 0.51 C ATOM 1515 C VAL B 32 1.977 6.010 -0.941 1.00 0.49 C ATOM 1516 O VAL B 32 0.826 6.437 -0.954 1.00 0.61 O ATOM 1517 CB VAL B 32 1.846 4.827 -3.148 1.00 0.56 C ATOM 1518 CG1 VAL B 32 2.660 5.847 -3.932 1.00 0.61 C ATOM 1519 CG2 VAL B 32 1.887 3.467 -3.831 1.00 0.59 C ATOM 0 H VAL B 32 0.793 3.478 -1.043 1.00 0.49 H new ATOM 0 HA VAL B 32 3.432 4.615 -1.696 1.00 0.51 H new ATOM 0 HB VAL B 32 0.810 5.164 -3.125 1.00 0.56 H new ATOM 0 HG11 VAL B 32 2.289 5.900 -4.955 1.00 0.61 H new ATOM 0 HG12 VAL B 32 2.567 6.826 -3.461 1.00 0.61 H new ATOM 0 HG13 VAL B 32 3.708 5.547 -3.941 1.00 0.61 H new ATOM 0 HG21 VAL B 32 1.529 3.564 -4.856 1.00 0.59 H new ATOM 0 HG22 VAL B 32 2.911 3.094 -3.838 1.00 0.59 H new ATOM 0 HG23 VAL B 32 1.250 2.768 -3.289 1.00 0.59 H new ATOM 1529 N PHE B 33 2.965 6.608 -0.288 1.00 0.48 N ATOM 1530 CA PHE B 33 2.770 7.840 0.469 1.00 0.48 C ATOM 1531 C PHE B 33 3.218 9.050 -0.350 1.00 0.50 C ATOM 1532 O PHE B 33 4.216 8.982 -1.069 1.00 0.56 O ATOM 1533 CB PHE B 33 3.571 7.796 1.778 1.00 0.53 C ATOM 1534 CG PHE B 33 3.154 6.710 2.732 1.00 0.57 C ATOM 1535 CD1 PHE B 33 3.623 5.414 2.581 1.00 0.65 C ATOM 1536 CD2 PHE B 33 2.305 6.991 3.790 1.00 0.70 C ATOM 1537 CE1 PHE B 33 3.249 4.418 3.465 1.00 0.78 C ATOM 1538 CE2 PHE B 33 1.928 6.000 4.676 1.00 0.85 C ATOM 1539 CZ PHE B 33 2.401 4.712 4.513 1.00 0.86 C ATOM 0 H PHE B 33 3.922 6.255 -0.267 1.00 0.48 H new ATOM 0 HA PHE B 33 1.708 7.931 0.695 1.00 0.48 H new ATOM 0 HB2 PHE B 33 4.626 7.665 1.538 1.00 0.53 H new ATOM 0 HB3 PHE B 33 3.475 8.759 2.280 1.00 0.53 H new ATOM 0 HD1 PHE B 33 4.288 5.179 1.763 1.00 0.65 H new ATOM 0 HD2 PHE B 33 1.934 7.996 3.924 1.00 0.70 H new ATOM 0 HE1 PHE B 33 3.620 3.412 3.335 1.00 0.78 H new ATOM 0 HE2 PHE B 33 1.264 6.232 5.496 1.00 0.85 H new ATOM 0 HZ PHE B 33 2.107 3.936 5.205 1.00 0.86 H new ATOM 1549 N ALA B 34 2.481 10.154 -0.244 1.00 0.50 N ATOM 1550 CA ALA B 34 2.833 11.374 -0.969 1.00 0.55 C ATOM 1551 C ALA B 34 3.635 12.327 -0.079 1.00 0.54 C ATOM 1552 O ALA B 34 4.324 11.891 0.846 1.00 0.58 O ATOM 1553 CB ALA B 34 1.580 12.058 -1.497 1.00 0.61 C ATOM 0 H ALA B 34 1.643 10.230 0.332 1.00 0.50 H new ATOM 0 HA ALA B 34 3.460 11.098 -1.817 1.00 0.55 H new ATOM 0 HB1 ALA B 34 1.859 12.964 -2.034 1.00 0.61 H new ATOM 0 HB2 ALA B 34 1.054 11.383 -2.173 1.00 0.61 H new ATOM 0 HB3 ALA B 34 0.928 12.317 -0.663 1.00 0.61 H new ATOM 1559 N ILE B 35 3.551 13.626 -0.371 1.00 0.60 N ATOM 1560 CA ILE B 35 4.261 14.641 0.402 1.00 0.63 C ATOM 1561 C ILE B 35 3.668 14.780 1.805 1.00 0.59 C ATOM 1562 O ILE B 35 2.473 15.036 1.966 1.00 0.63 O ATOM 1563 CB ILE B 35 4.223 16.015 -0.310 1.00 0.75 C ATOM 1564 CG1 ILE B 35 4.970 15.943 -1.645 1.00 0.90 C ATOM 1565 CG2 ILE B 35 4.814 17.105 0.575 1.00 0.77 C ATOM 1566 CD1 ILE B 35 4.889 17.221 -2.453 1.00 1.10 C ATOM 0 H ILE B 35 2.995 13.999 -1.141 1.00 0.60 H new ATOM 0 HA ILE B 35 5.298 14.314 0.485 1.00 0.63 H new ATOM 0 HB ILE B 35 3.181 16.269 -0.506 1.00 0.75 H new ATOM 0 HG12 ILE B 35 6.017 15.709 -1.454 1.00 0.90 H new ATOM 0 HG13 ILE B 35 4.563 15.123 -2.236 1.00 0.90 H new ATOM 0 HG21 ILE B 35 4.775 18.060 0.051 1.00 0.77 H new ATOM 0 HG22 ILE B 35 4.240 17.174 1.499 1.00 0.77 H new ATOM 0 HG23 ILE B 35 5.850 16.862 0.809 1.00 0.77 H new ATOM 0 HD11 ILE B 35 5.440 17.098 -3.385 1.00 1.10 H new ATOM 0 HD12 ILE B 35 3.846 17.445 -2.675 1.00 1.10 H new ATOM 0 HD13 ILE B 35 5.323 18.041 -1.881 1.00 1.10 H new ATOM 1578 N GLY B 36 4.517 14.601 2.815 1.00 0.58 N ATOM 1579 CA GLY B 36 4.075 14.712 4.192 1.00 0.59 C ATOM 1580 C GLY B 36 4.894 15.720 4.979 1.00 0.63 C ATOM 1581 O GLY B 36 5.723 16.427 4.405 1.00 0.63 O ATOM 0 H GLY B 36 5.506 14.380 2.701 1.00 0.58 H new ATOM 0 HA2 GLY B 36 3.025 15.005 4.212 1.00 0.59 H new ATOM 0 HA3 GLY B 36 4.143 13.736 4.673 1.00 0.59 H new ATOM 1585 N PRO B 37 4.678 15.809 6.303 1.00 0.67 N ATOM 1586 CA PRO B 37 5.403 16.742 7.176 1.00 0.73 C ATOM 1587 C PRO B 37 6.817 16.267 7.507 1.00 0.71 C ATOM 1588 O PRO B 37 7.599 16.997 8.117 1.00 0.77 O ATOM 1589 CB PRO B 37 4.547 16.782 8.454 1.00 0.79 C ATOM 1590 CG PRO B 37 3.323 15.973 8.166 1.00 0.77 C ATOM 1591 CD PRO B 37 3.697 15.029 7.064 1.00 0.69 C ATOM 0 HA PRO B 37 5.534 17.713 6.698 1.00 0.73 H new ATOM 0 HB2 PRO B 37 5.095 16.370 9.302 1.00 0.79 H new ATOM 0 HB3 PRO B 37 4.283 17.807 8.713 1.00 0.79 H new ATOM 0 HG2 PRO B 37 2.999 15.428 9.053 1.00 0.77 H new ATOM 0 HG3 PRO B 37 2.494 16.614 7.865 1.00 0.77 H new ATOM 0 HD2 PRO B 37 4.124 14.103 7.449 1.00 0.69 H new ATOM 0 HD3 PRO B 37 2.836 14.753 6.455 1.00 0.69 H new ATOM 1599 N GLN B 38 7.142 15.041 7.103 1.00 0.65 N ATOM 1600 CA GLN B 38 8.470 14.469 7.372 1.00 0.65 C ATOM 1601 C GLN B 38 9.305 14.258 6.100 1.00 0.61 C ATOM 1602 O GLN B 38 10.520 14.101 6.163 1.00 0.63 O ATOM 1603 CB GLN B 38 8.299 13.150 8.137 1.00 0.65 C ATOM 1604 CG GLN B 38 7.549 12.066 7.355 1.00 0.59 C ATOM 1605 CD GLN B 38 7.425 10.797 8.192 1.00 0.63 C ATOM 1606 OE1 GLN B 38 6.817 10.758 9.247 1.00 0.71 O ATOM 1607 NE2 GLN B 38 7.964 9.718 7.676 1.00 0.61 N ATOM 0 H GLN B 38 6.512 14.423 6.591 1.00 0.65 H new ATOM 0 HA GLN B 38 9.025 15.186 7.976 1.00 0.65 H new ATOM 0 HB2 GLN B 38 9.284 12.770 8.410 1.00 0.65 H new ATOM 0 HB3 GLN B 38 7.765 13.348 9.066 1.00 0.65 H new ATOM 0 HG2 GLN B 38 6.558 12.427 7.080 1.00 0.59 H new ATOM 0 HG3 GLN B 38 8.077 11.847 6.427 1.00 0.59 H new ATOM 0 HE21 GLN B 38 8.469 9.773 6.791 1.00 0.61 H new ATOM 0 HE22 GLN B 38 7.878 8.824 8.159 1.00 0.61 H new ATOM 1616 N CYS B 39 8.622 14.182 4.959 1.00 0.56 N ATOM 1617 CA CYS B 39 9.285 13.934 3.683 1.00 0.54 C ATOM 1618 C CYS B 39 8.568 14.649 2.543 1.00 0.59 C ATOM 1619 O CYS B 39 7.347 14.565 2.420 1.00 0.67 O ATOM 1620 CB CYS B 39 9.308 12.424 3.413 1.00 0.48 C ATOM 1621 SG CYS B 39 10.670 11.859 2.343 1.00 0.47 S ATOM 0 H CYS B 39 7.610 14.289 4.894 1.00 0.56 H new ATOM 0 HA CYS B 39 10.303 14.320 3.738 1.00 0.54 H new ATOM 0 HB2 CYS B 39 9.373 11.900 4.366 1.00 0.48 H new ATOM 0 HB3 CYS B 39 8.362 12.137 2.955 1.00 0.48 H new ATOM 1626 N SER B 40 9.331 15.345 1.710 1.00 0.64 N ATOM 1627 CA SER B 40 8.760 16.066 0.577 1.00 0.73 C ATOM 1628 C SER B 40 8.988 15.290 -0.721 1.00 0.72 C ATOM 1629 O SER B 40 9.157 15.876 -1.790 1.00 1.00 O ATOM 1630 CB SER B 40 9.379 17.464 0.478 1.00 0.87 C ATOM 1631 OG SER B 40 8.613 18.304 -0.368 1.00 1.01 O ATOM 0 H SER B 40 10.344 15.426 1.796 1.00 0.64 H new ATOM 0 HA SER B 40 7.686 16.167 0.733 1.00 0.73 H new ATOM 0 HB2 SER B 40 9.445 17.907 1.472 1.00 0.87 H new ATOM 0 HB3 SER B 40 10.397 17.388 0.095 1.00 0.87 H new ATOM 0 HG SER B 40 8.473 17.860 -1.230 1.00 1.01 H new ATOM 1637 N LYS B 41 8.978 13.962 -0.615 1.00 0.66 N ATOM 1638 CA LYS B 41 9.196 13.096 -1.770 1.00 0.64 C ATOM 1639 C LYS B 41 8.361 11.819 -1.657 1.00 0.61 C ATOM 1640 O LYS B 41 8.070 11.354 -0.554 1.00 0.61 O ATOM 1641 CB LYS B 41 10.682 12.742 -1.878 1.00 0.64 C ATOM 1642 CG LYS B 41 11.061 12.040 -3.171 1.00 0.71 C ATOM 1643 CD LYS B 41 12.525 11.631 -3.171 1.00 0.81 C ATOM 1644 CE LYS B 41 12.886 10.859 -4.429 1.00 0.97 C ATOM 1645 NZ LYS B 41 14.292 10.368 -4.397 1.00 1.16 N ATOM 0 H LYS B 41 8.821 13.463 0.261 1.00 0.66 H new ATOM 0 HA LYS B 41 8.885 13.630 -2.668 1.00 0.64 H new ATOM 0 HB2 LYS B 41 11.269 13.656 -1.788 1.00 0.64 H new ATOM 0 HB3 LYS B 41 10.954 12.104 -1.037 1.00 0.64 H new ATOM 0 HG2 LYS B 41 10.435 11.158 -3.305 1.00 0.71 H new ATOM 0 HG3 LYS B 41 10.866 12.700 -4.016 1.00 0.71 H new ATOM 0 HD2 LYS B 41 13.152 12.519 -3.095 1.00 0.81 H new ATOM 0 HD3 LYS B 41 12.733 11.018 -2.294 1.00 0.81 H new ATOM 0 HE2 LYS B 41 12.209 10.013 -4.542 1.00 0.97 H new ATOM 0 HE3 LYS B 41 12.745 11.499 -5.300 1.00 0.97 H new ATOM 0 HZ1 LYS B 41 14.498 9.847 -5.273 1.00 1.16 H new ATOM 0 HZ2 LYS B 41 14.940 11.177 -4.315 1.00 1.16 H new ATOM 0 HZ3 LYS B 41 14.421 9.737 -3.580 1.00 1.16 H new ATOM 1659 N VAL B 42 7.977 11.262 -2.805 1.00 0.61 N ATOM 1660 CA VAL B 42 7.187 10.035 -2.837 1.00 0.62 C ATOM 1661 C VAL B 42 8.077 8.807 -2.643 1.00 0.60 C ATOM 1662 O VAL B 42 9.111 8.664 -3.298 1.00 0.68 O ATOM 1663 CB VAL B 42 6.400 9.894 -4.160 1.00 0.68 C ATOM 1664 CG1 VAL B 42 5.255 10.892 -4.206 1.00 0.72 C ATOM 1665 CG2 VAL B 42 7.314 10.073 -5.367 1.00 0.78 C ATOM 0 H VAL B 42 8.201 11.642 -3.725 1.00 0.61 H new ATOM 0 HA VAL B 42 6.473 10.097 -2.015 1.00 0.62 H new ATOM 0 HB VAL B 42 5.986 8.886 -4.199 1.00 0.68 H new ATOM 0 HG11 VAL B 42 4.711 10.779 -5.144 1.00 0.72 H new ATOM 0 HG12 VAL B 42 4.579 10.709 -3.371 1.00 0.72 H new ATOM 0 HG13 VAL B 42 5.652 11.905 -4.136 1.00 0.72 H new ATOM 0 HG21 VAL B 42 6.732 9.968 -6.283 1.00 0.78 H new ATOM 0 HG22 VAL B 42 7.767 11.064 -5.336 1.00 0.78 H new ATOM 0 HG23 VAL B 42 8.097 9.315 -5.346 1.00 0.78 H new ATOM 1675 N GLU B 43 7.678 7.926 -1.727 1.00 0.56 N ATOM 1676 CA GLU B 43 8.445 6.718 -1.447 1.00 0.54 C ATOM 1677 C GLU B 43 7.523 5.505 -1.417 1.00 0.53 C ATOM 1678 O GLU B 43 6.490 5.516 -0.747 1.00 0.57 O ATOM 1679 CB GLU B 43 9.185 6.860 -0.113 1.00 0.54 C ATOM 1680 CG GLU B 43 10.028 8.126 -0.028 1.00 0.61 C ATOM 1681 CD GLU B 43 10.756 8.268 1.286 1.00 0.68 C ATOM 1682 OE1 GLU B 43 10.119 8.091 2.343 1.00 0.80 O ATOM 1683 OE2 GLU B 43 11.964 8.570 1.257 1.00 0.77 O ATOM 0 H GLU B 43 6.830 8.027 -1.169 1.00 0.56 H new ATOM 0 HA GLU B 43 9.180 6.576 -2.239 1.00 0.54 H new ATOM 0 HB2 GLU B 43 8.459 6.859 0.700 1.00 0.54 H new ATOM 0 HB3 GLU B 43 9.828 5.992 0.033 1.00 0.54 H new ATOM 0 HG2 GLU B 43 10.755 8.126 -0.840 1.00 0.61 H new ATOM 0 HG3 GLU B 43 9.385 8.994 -0.175 1.00 0.61 H new ATOM 1690 N VAL B 44 7.898 4.456 -2.146 1.00 0.51 N ATOM 1691 CA VAL B 44 7.082 3.250 -2.211 1.00 0.51 C ATOM 1692 C VAL B 44 7.608 2.146 -1.299 1.00 0.49 C ATOM 1693 O VAL B 44 8.629 1.515 -1.572 1.00 0.53 O ATOM 1694 CB VAL B 44 6.955 2.709 -3.651 1.00 0.55 C ATOM 1695 CG1 VAL B 44 5.924 3.504 -4.433 1.00 0.60 C ATOM 1696 CG2 VAL B 44 8.296 2.734 -4.366 1.00 0.59 C ATOM 0 H VAL B 44 8.756 4.418 -2.696 1.00 0.51 H new ATOM 0 HA VAL B 44 6.093 3.547 -1.862 1.00 0.51 H new ATOM 0 HB VAL B 44 6.622 1.673 -3.590 1.00 0.55 H new ATOM 0 HG11 VAL B 44 5.850 3.107 -5.445 1.00 0.60 H new ATOM 0 HG12 VAL B 44 4.955 3.426 -3.941 1.00 0.60 H new ATOM 0 HG13 VAL B 44 6.227 4.550 -4.475 1.00 0.60 H new ATOM 0 HG21 VAL B 44 8.176 2.347 -5.378 1.00 0.59 H new ATOM 0 HG22 VAL B 44 8.666 3.758 -4.410 1.00 0.59 H new ATOM 0 HG23 VAL B 44 9.009 2.114 -3.823 1.00 0.59 H new ATOM 1706 N VAL B 45 6.896 1.938 -0.204 1.00 0.47 N ATOM 1707 CA VAL B 45 7.233 0.887 0.777 1.00 0.46 C ATOM 1708 C VAL B 45 6.456 -0.414 0.477 1.00 0.48 C ATOM 1709 O VAL B 45 5.423 -0.428 -0.195 1.00 0.51 O ATOM 1710 CB VAL B 45 7.065 1.362 2.241 1.00 0.46 C ATOM 1711 CG1 VAL B 45 7.398 2.828 2.412 1.00 0.61 C ATOM 1712 CG2 VAL B 45 5.653 1.364 2.776 1.00 0.62 C ATOM 0 H VAL B 45 6.069 2.483 0.041 1.00 0.47 H new ATOM 0 HA VAL B 45 8.294 0.664 0.667 1.00 0.46 H new ATOM 0 HB VAL B 45 7.714 0.652 2.753 1.00 0.46 H new ATOM 0 HG11 VAL B 45 7.265 3.112 3.456 1.00 0.61 H new ATOM 0 HG12 VAL B 45 8.433 3.003 2.118 1.00 0.61 H new ATOM 0 HG13 VAL B 45 6.737 3.427 1.786 1.00 0.61 H new ATOM 0 HG21 VAL B 45 5.656 1.714 3.808 1.00 0.62 H new ATOM 0 HG22 VAL B 45 5.035 2.026 2.170 1.00 0.62 H new ATOM 0 HG23 VAL B 45 5.248 0.353 2.737 1.00 0.62 H new ATOM 1722 N ALA B 46 7.064 -1.529 0.837 1.00 0.48 N ATOM 1723 CA ALA B 46 6.466 -2.863 0.628 1.00 0.51 C ATOM 1724 C ALA B 46 6.729 -3.781 1.823 1.00 0.51 C ATOM 1725 O ALA B 46 7.691 -3.588 2.572 1.00 0.50 O ATOM 1726 CB ALA B 46 7.027 -3.490 -0.653 1.00 0.55 C ATOM 0 H ALA B 46 7.982 -1.551 1.281 1.00 0.48 H new ATOM 0 HA ALA B 46 5.387 -2.742 0.529 1.00 0.51 H new ATOM 0 HB1 ALA B 46 6.582 -4.474 -0.802 1.00 0.55 H new ATOM 0 HB2 ALA B 46 6.790 -2.852 -1.504 1.00 0.55 H new ATOM 0 HB3 ALA B 46 8.109 -3.591 -0.565 1.00 0.55 H new ATOM 1732 N SER B 47 5.832 -4.740 2.003 1.00 0.54 N ATOM 1733 CA SER B 47 5.954 -5.759 3.062 1.00 0.57 C ATOM 1734 C SER B 47 5.917 -7.165 2.457 1.00 0.60 C ATOM 1735 O SER B 47 5.062 -7.498 1.626 1.00 0.63 O ATOM 1736 CB SER B 47 4.829 -5.638 4.090 1.00 0.60 C ATOM 1737 OG SER B 47 4.791 -4.309 4.614 1.00 0.58 O ATOM 0 H SER B 47 4.997 -4.843 1.426 1.00 0.54 H new ATOM 0 HA SER B 47 6.908 -5.591 3.561 1.00 0.57 H new ATOM 0 HB2 SER B 47 3.873 -5.883 3.627 1.00 0.60 H new ATOM 0 HB3 SER B 47 4.984 -6.353 4.898 1.00 0.60 H new ATOM 0 HG SER B 47 4.067 -4.237 5.271 1.00 0.58 H new ATOM 1743 N LEU B 48 6.859 -7.993 2.892 1.00 0.62 N ATOM 1744 CA LEU B 48 6.959 -9.367 2.424 1.00 0.67 C ATOM 1745 C LEU B 48 5.967 -10.263 3.159 1.00 0.71 C ATOM 1746 O LEU B 48 5.363 -9.854 4.153 1.00 0.70 O ATOM 1747 CB LEU B 48 8.384 -9.897 2.619 1.00 0.68 C ATOM 1748 CG LEU B 48 9.385 -9.514 1.525 1.00 0.70 C ATOM 1749 CD1 LEU B 48 9.789 -8.053 1.648 1.00 0.70 C ATOM 1750 CD2 LEU B 48 10.609 -10.416 1.587 1.00 0.75 C ATOM 0 H LEU B 48 7.570 -7.732 3.575 1.00 0.62 H new ATOM 0 HA LEU B 48 6.718 -9.380 1.361 1.00 0.67 H new ATOM 0 HB2 LEU B 48 8.761 -9.534 3.575 1.00 0.68 H new ATOM 0 HB3 LEU B 48 8.343 -10.984 2.685 1.00 0.68 H new ATOM 0 HG LEU B 48 8.903 -9.650 0.557 1.00 0.70 H new ATOM 0 HD11 LEU B 48 10.500 -7.805 0.860 1.00 0.70 H new ATOM 0 HD12 LEU B 48 8.906 -7.422 1.551 1.00 0.70 H new ATOM 0 HD13 LEU B 48 10.251 -7.884 2.621 1.00 0.70 H new ATOM 0 HD21 LEU B 48 11.311 -10.131 0.803 1.00 0.75 H new ATOM 0 HD22 LEU B 48 11.089 -10.311 2.560 1.00 0.75 H new ATOM 0 HD23 LEU B 48 10.305 -11.453 1.442 1.00 0.75 H new ATOM 1762 N LYS B 49 5.805 -11.487 2.666 1.00 0.76 N ATOM 1763 CA LYS B 49 4.889 -12.446 3.277 1.00 0.82 C ATOM 1764 C LYS B 49 5.487 -13.028 4.560 1.00 0.84 C ATOM 1765 O LYS B 49 4.780 -13.634 5.369 1.00 0.89 O ATOM 1766 CB LYS B 49 4.566 -13.570 2.285 1.00 0.89 C ATOM 1767 CG LYS B 49 3.305 -14.353 2.626 1.00 0.98 C ATOM 1768 CD LYS B 49 2.052 -13.506 2.457 1.00 1.05 C ATOM 1769 CE LYS B 49 0.790 -14.323 2.682 1.00 1.23 C ATOM 1770 NZ LYS B 49 0.712 -14.859 4.069 1.00 1.27 N ATOM 0 H LYS B 49 6.296 -11.839 1.844 1.00 0.76 H new ATOM 0 HA LYS B 49 3.967 -11.925 3.536 1.00 0.82 H new ATOM 0 HB2 LYS B 49 4.457 -13.141 1.289 1.00 0.89 H new ATOM 0 HB3 LYS B 49 5.410 -14.259 2.245 1.00 0.89 H new ATOM 0 HG2 LYS B 49 3.239 -15.232 1.985 1.00 0.98 H new ATOM 0 HG3 LYS B 49 3.366 -14.711 3.654 1.00 0.98 H new ATOM 0 HD2 LYS B 49 2.077 -12.673 3.160 1.00 1.05 H new ATOM 0 HD3 LYS B 49 2.035 -13.077 1.455 1.00 1.05 H new ATOM 0 HE2 LYS B 49 -0.084 -13.702 2.484 1.00 1.23 H new ATOM 0 HE3 LYS B 49 0.762 -15.149 1.972 1.00 1.23 H new ATOM 0 HZ1 LYS B 49 -0.221 -15.293 4.222 1.00 1.27 H new ATOM 0 HZ2 LYS B 49 1.454 -15.575 4.207 1.00 1.27 H new ATOM 0 HZ3 LYS B 49 0.849 -14.084 4.749 1.00 1.27 H new ATOM 1784 N ASN B 50 6.789 -12.825 4.745 1.00 0.81 N ATOM 1785 CA ASN B 50 7.491 -13.322 5.925 1.00 0.84 C ATOM 1786 C ASN B 50 7.310 -12.377 7.113 1.00 0.80 C ATOM 1787 O ASN B 50 7.394 -12.796 8.267 1.00 0.97 O ATOM 1788 CB ASN B 50 8.981 -13.501 5.618 1.00 0.86 C ATOM 1789 CG ASN B 50 9.222 -14.489 4.492 1.00 0.94 C ATOM 1790 OD1 ASN B 50 8.462 -15.440 4.311 1.00 0.99 O ATOM 1791 ND2 ASN B 50 10.284 -14.268 3.728 1.00 0.97 N ATOM 0 H ASN B 50 7.382 -12.317 4.089 1.00 0.81 H new ATOM 0 HA ASN B 50 7.062 -14.288 6.191 1.00 0.84 H new ATOM 0 HB2 ASN B 50 9.413 -12.537 5.351 1.00 0.86 H new ATOM 0 HB3 ASN B 50 9.496 -13.844 6.515 1.00 0.86 H new ATOM 0 HD21 ASN B 50 10.497 -14.899 2.955 1.00 0.97 H new ATOM 0 HD22 ASN B 50 10.888 -13.467 3.913 1.00 0.97 H new ATOM 1798 N GLY B 51 7.064 -11.101 6.821 1.00 0.67 N ATOM 1799 CA GLY B 51 6.874 -10.119 7.874 1.00 0.65 C ATOM 1800 C GLY B 51 7.990 -9.091 7.923 1.00 0.60 C ATOM 1801 O GLY B 51 8.390 -8.654 9.002 1.00 0.67 O ATOM 0 H GLY B 51 6.993 -10.731 5.873 1.00 0.67 H new ATOM 0 HA2 GLY B 51 5.922 -9.610 7.723 1.00 0.65 H new ATOM 0 HA3 GLY B 51 6.813 -10.630 8.835 1.00 0.65 H new ATOM 1805 N LYS B 52 8.490 -8.699 6.752 1.00 0.57 N ATOM 1806 CA LYS B 52 9.573 -7.720 6.673 1.00 0.55 C ATOM 1807 C LYS B 52 9.183 -6.520 5.815 1.00 0.51 C ATOM 1808 O LYS B 52 8.594 -6.675 4.749 1.00 0.60 O ATOM 1809 CB LYS B 52 10.837 -8.365 6.102 1.00 0.59 C ATOM 1810 CG LYS B 52 11.494 -9.361 7.044 1.00 0.66 C ATOM 1811 CD LYS B 52 12.790 -9.908 6.466 1.00 0.79 C ATOM 1812 CE LYS B 52 13.872 -8.840 6.386 1.00 0.86 C ATOM 1813 NZ LYS B 52 15.129 -9.375 5.795 1.00 1.05 N ATOM 0 H LYS B 52 8.164 -9.043 5.849 1.00 0.57 H new ATOM 0 HA LYS B 52 9.768 -7.370 7.686 1.00 0.55 H new ATOM 0 HB2 LYS B 52 10.587 -8.871 5.170 1.00 0.59 H new ATOM 0 HB3 LYS B 52 11.555 -7.582 5.857 1.00 0.59 H new ATOM 0 HG2 LYS B 52 11.697 -8.879 8.000 1.00 0.66 H new ATOM 0 HG3 LYS B 52 10.807 -10.184 7.241 1.00 0.66 H new ATOM 0 HD2 LYS B 52 13.142 -10.735 7.082 1.00 0.79 H new ATOM 0 HD3 LYS B 52 12.602 -10.310 5.470 1.00 0.79 H new ATOM 0 HE2 LYS B 52 13.514 -8.004 5.785 1.00 0.86 H new ATOM 0 HE3 LYS B 52 14.075 -8.452 7.384 1.00 0.86 H new ATOM 0 HZ1 LYS B 52 15.843 -8.620 5.756 1.00 1.05 H new ATOM 0 HZ2 LYS B 52 15.483 -10.157 6.382 1.00 1.05 H new ATOM 0 HZ3 LYS B 52 14.940 -9.722 4.833 1.00 1.05 H new ATOM 1827 N GLU B 53 9.532 -5.328 6.284 1.00 0.53 N ATOM 1828 CA GLU B 53 9.225 -4.099 5.562 1.00 0.50 C ATOM 1829 C GLU B 53 10.500 -3.428 5.066 1.00 0.50 C ATOM 1830 O GLU B 53 11.438 -3.198 5.830 1.00 0.52 O ATOM 1831 CB GLU B 53 8.435 -3.140 6.454 1.00 0.51 C ATOM 1832 CG GLU B 53 9.028 -2.970 7.843 1.00 0.66 C ATOM 1833 CD GLU B 53 8.175 -2.097 8.746 1.00 0.66 C ATOM 1834 OE1 GLU B 53 7.280 -2.644 9.430 1.00 0.67 O ATOM 1835 OE2 GLU B 53 8.397 -0.865 8.769 1.00 0.71 O ATOM 0 H GLU B 53 10.029 -5.186 7.163 1.00 0.53 H new ATOM 0 HA GLU B 53 8.615 -4.357 4.696 1.00 0.50 H new ATOM 0 HB2 GLU B 53 8.384 -2.165 5.969 1.00 0.51 H new ATOM 0 HB3 GLU B 53 7.412 -3.504 6.547 1.00 0.51 H new ATOM 0 HG2 GLU B 53 9.150 -3.951 8.303 1.00 0.66 H new ATOM 0 HG3 GLU B 53 10.023 -2.533 7.757 1.00 0.66 H new ATOM 1842 N ILE B 54 10.534 -3.141 3.772 1.00 0.47 N ATOM 1843 CA ILE B 54 11.702 -2.484 3.150 1.00 0.47 C ATOM 1844 C ILE B 54 11.255 -1.203 2.429 1.00 0.45 C ATOM 1845 O ILE B 54 10.062 -0.895 2.345 1.00 0.43 O ATOM 1846 CB ILE B 54 12.453 -3.462 2.225 1.00 0.49 C ATOM 1847 CG1 ILE B 54 11.560 -3.920 1.057 1.00 0.47 C ATOM 1848 CG2 ILE B 54 13.035 -4.630 3.042 1.00 0.52 C ATOM 1849 CD1 ILE B 54 12.277 -4.755 -0.008 1.00 0.49 C ATOM 0 H ILE B 54 9.774 -3.348 3.124 1.00 0.47 H new ATOM 0 HA ILE B 54 12.411 -2.191 3.924 1.00 0.47 H new ATOM 0 HB ILE B 54 13.297 -2.945 1.769 1.00 0.49 H new ATOM 0 HG12 ILE B 54 10.731 -4.503 1.458 1.00 0.47 H new ATOM 0 HG13 ILE B 54 11.130 -3.040 0.580 1.00 0.47 H new ATOM 0 HG21 ILE B 54 13.563 -5.313 2.376 1.00 0.52 H new ATOM 0 HG22 ILE B 54 13.729 -4.242 3.788 1.00 0.52 H new ATOM 0 HG23 ILE B 54 12.226 -5.163 3.542 1.00 0.52 H new ATOM 0 HD11 ILE B 54 11.570 -5.032 -0.790 1.00 0.49 H new ATOM 0 HD12 ILE B 54 13.088 -4.171 -0.443 1.00 0.49 H new ATOM 0 HD13 ILE B 54 12.684 -5.657 0.450 1.00 0.49 H new ATOM 1861 N CYS B 55 12.236 -0.535 1.842 1.00 0.45 N ATOM 1862 CA CYS B 55 12.003 0.684 1.060 1.00 0.44 C ATOM 1863 C CYS B 55 12.644 0.533 -0.312 1.00 0.45 C ATOM 1864 O CYS B 55 13.786 0.105 -0.447 1.00 0.48 O ATOM 1865 CB CYS B 55 12.630 1.884 1.759 1.00 0.44 C ATOM 1866 SG CYS B 55 11.791 2.348 3.315 1.00 0.44 S ATOM 0 H CYS B 55 13.215 -0.816 1.890 1.00 0.45 H new ATOM 0 HA CYS B 55 10.928 0.839 0.962 1.00 0.44 H new ATOM 0 HB2 CYS B 55 13.676 1.664 1.972 1.00 0.44 H new ATOM 0 HB3 CYS B 55 12.616 2.737 1.080 1.00 0.44 H new ATOM 1871 N LEU B 56 11.905 0.983 -1.300 1.00 0.44 N ATOM 1872 CA LEU B 56 12.347 0.891 -2.687 1.00 0.47 C ATOM 1873 C LEU B 56 12.580 2.307 -3.225 1.00 0.48 C ATOM 1874 O LEU B 56 11.944 3.271 -2.787 1.00 0.46 O ATOM 1875 CB LEU B 56 11.229 0.112 -3.394 1.00 0.46 C ATOM 1876 CG LEU B 56 10.916 -1.307 -2.899 1.00 0.46 C ATOM 1877 CD1 LEU B 56 9.940 -1.965 -3.874 1.00 0.47 C ATOM 1878 CD2 LEU B 56 12.169 -2.172 -2.741 1.00 0.49 C ATOM 0 H LEU B 56 10.991 1.419 -1.176 1.00 0.44 H new ATOM 0 HA LEU B 56 13.295 0.374 -2.837 1.00 0.47 H new ATOM 0 HB2 LEU B 56 10.314 0.700 -3.321 1.00 0.46 H new ATOM 0 HB3 LEU B 56 11.484 0.048 -4.452 1.00 0.46 H new ATOM 0 HG LEU B 56 10.472 -1.225 -1.907 1.00 0.46 H new ATOM 0 HD11 LEU B 56 9.710 -2.974 -3.533 1.00 0.47 H new ATOM 0 HD12 LEU B 56 9.022 -1.379 -3.920 1.00 0.47 H new ATOM 0 HD13 LEU B 56 10.391 -2.011 -4.865 1.00 0.47 H new ATOM 0 HD21 LEU B 56 11.885 -3.163 -2.389 1.00 0.49 H new ATOM 0 HD22 LEU B 56 12.674 -2.260 -3.703 1.00 0.49 H new ATOM 0 HD23 LEU B 56 12.842 -1.709 -2.019 1.00 0.49 H new ATOM 1890 N ASP B 57 13.474 2.479 -4.189 1.00 0.50 N ATOM 1891 CA ASP B 57 13.698 3.814 -4.764 1.00 0.52 C ATOM 1892 C ASP B 57 13.027 3.929 -6.140 1.00 0.54 C ATOM 1893 O ASP B 57 13.430 3.245 -7.079 1.00 0.59 O ATOM 1894 CB ASP B 57 15.193 4.114 -4.899 1.00 0.57 C ATOM 1895 CG ASP B 57 15.520 5.577 -4.654 1.00 0.58 C ATOM 1896 OD1 ASP B 57 14.948 6.445 -5.346 1.00 0.60 O ATOM 1897 OD2 ASP B 57 16.355 5.856 -3.770 1.00 0.63 O ATOM 0 H ASP B 57 14.048 1.735 -4.587 1.00 0.50 H new ATOM 0 HA ASP B 57 13.255 4.543 -4.085 1.00 0.52 H new ATOM 0 HB2 ASP B 57 15.749 3.498 -4.192 1.00 0.57 H new ATOM 0 HB3 ASP B 57 15.527 3.833 -5.898 1.00 0.57 H new ATOM 1902 N PRO B 58 11.997 4.810 -6.277 1.00 0.55 N ATOM 1903 CA PRO B 58 11.274 5.021 -7.552 1.00 0.61 C ATOM 1904 C PRO B 58 12.205 5.350 -8.718 1.00 0.69 C ATOM 1905 O PRO B 58 11.832 5.239 -9.886 1.00 0.83 O ATOM 1906 CB PRO B 58 10.369 6.219 -7.258 1.00 0.64 C ATOM 1907 CG PRO B 58 10.205 6.244 -5.781 1.00 0.60 C ATOM 1908 CD PRO B 58 11.464 5.666 -5.197 1.00 0.57 C ATOM 0 HA PRO B 58 10.741 4.120 -7.857 1.00 0.61 H new ATOM 0 HB2 PRO B 58 10.816 7.146 -7.618 1.00 0.64 H new ATOM 0 HB3 PRO B 58 9.406 6.114 -7.757 1.00 0.64 H new ATOM 0 HG2 PRO B 58 10.046 7.262 -5.426 1.00 0.60 H new ATOM 0 HG3 PRO B 58 9.335 5.661 -5.478 1.00 0.60 H new ATOM 0 HD2 PRO B 58 12.172 6.448 -4.921 1.00 0.57 H new ATOM 0 HD3 PRO B 58 11.258 5.089 -4.295 1.00 0.57 H new ATOM 1916 N GLU B 59 13.418 5.753 -8.368 1.00 0.65 N ATOM 1917 CA GLU B 59 14.466 6.109 -9.331 1.00 0.77 C ATOM 1918 C GLU B 59 14.928 4.923 -10.209 1.00 0.82 C ATOM 1919 O GLU B 59 15.584 5.114 -11.232 1.00 0.91 O ATOM 1920 CB GLU B 59 15.650 6.707 -8.561 1.00 0.83 C ATOM 1921 CG GLU B 59 16.686 7.312 -9.508 1.00 1.10 C ATOM 1922 CD GLU B 59 17.849 7.958 -8.767 1.00 1.18 C ATOM 1923 OE1 GLU B 59 18.529 7.227 -8.011 1.00 1.40 O ATOM 1924 OE2 GLU B 59 18.022 9.175 -8.980 1.00 1.28 O ATOM 0 H GLU B 59 13.712 5.845 -7.396 1.00 0.65 H new ATOM 0 HA GLU B 59 14.047 6.837 -10.025 1.00 0.77 H new ATOM 0 HB2 GLU B 59 15.290 7.475 -7.876 1.00 0.83 H new ATOM 0 HB3 GLU B 59 16.119 5.933 -7.954 1.00 0.83 H new ATOM 0 HG2 GLU B 59 17.068 6.533 -10.168 1.00 1.10 H new ATOM 0 HG3 GLU B 59 16.204 8.057 -10.140 1.00 1.10 H new ATOM 1931 N ALA B 60 14.605 3.705 -9.791 1.00 0.80 N ATOM 1932 CA ALA B 60 15.000 2.502 -10.525 1.00 0.88 C ATOM 1933 C ALA B 60 13.828 1.965 -11.367 1.00 0.91 C ATOM 1934 O ALA B 60 12.722 1.792 -10.849 1.00 0.89 O ATOM 1935 CB ALA B 60 15.487 1.473 -9.507 1.00 0.88 C ATOM 0 H ALA B 60 14.068 3.521 -8.944 1.00 0.80 H new ATOM 0 HA ALA B 60 15.803 2.728 -11.226 1.00 0.88 H new ATOM 0 HB1 ALA B 60 15.789 0.563 -10.025 1.00 0.88 H new ATOM 0 HB2 ALA B 60 16.338 1.878 -8.959 1.00 0.88 H new ATOM 0 HB3 ALA B 60 14.682 1.243 -8.809 1.00 0.88 H new ATOM 1941 N PRO B 61 14.104 1.599 -12.625 1.00 0.99 N ATOM 1942 CA PRO B 61 13.088 1.092 -13.570 1.00 1.03 C ATOM 1943 C PRO B 61 12.484 -0.255 -13.148 1.00 1.03 C ATOM 1944 O PRO B 61 11.263 -0.391 -13.089 1.00 1.01 O ATOM 1945 CB PRO B 61 13.823 0.989 -14.908 1.00 1.15 C ATOM 1946 CG PRO B 61 15.271 0.718 -14.502 1.00 1.19 C ATOM 1947 CD PRO B 61 15.445 1.575 -13.249 1.00 1.07 C ATOM 0 HA PRO B 61 12.228 1.760 -13.614 1.00 1.03 H new ATOM 0 HB2 PRO B 61 13.422 0.185 -15.525 1.00 1.15 H new ATOM 0 HB3 PRO B 61 13.734 1.909 -15.486 1.00 1.15 H new ATOM 0 HG2 PRO B 61 15.441 -0.339 -14.295 1.00 1.19 H new ATOM 0 HG3 PRO B 61 15.970 1.005 -15.287 1.00 1.19 H new ATOM 0 HD2 PRO B 61 16.188 1.147 -12.576 1.00 1.07 H new ATOM 0 HD3 PRO B 61 15.784 2.580 -13.500 1.00 1.07 H new ATOM 1955 N PHE B 62 13.338 -1.162 -12.665 1.00 1.06 N ATOM 1956 CA PHE B 62 12.902 -2.481 -12.155 1.00 1.08 C ATOM 1957 C PHE B 62 11.944 -2.343 -10.968 1.00 0.98 C ATOM 1958 O PHE B 62 11.063 -3.172 -10.759 1.00 0.98 O ATOM 1959 CB PHE B 62 14.100 -3.348 -11.750 1.00 1.15 C ATOM 1960 CG PHE B 62 14.901 -2.768 -10.581 1.00 1.11 C ATOM 1961 CD1 PHE B 62 14.546 -3.077 -9.274 1.00 1.07 C ATOM 1962 CD2 PHE B 62 15.999 -1.961 -10.837 1.00 1.14 C ATOM 1963 CE1 PHE B 62 15.292 -2.578 -8.219 1.00 1.07 C ATOM 1964 CE2 PHE B 62 16.756 -1.474 -9.781 1.00 1.14 C ATOM 1965 CZ PHE B 62 16.396 -1.774 -8.474 1.00 1.10 C ATOM 0 H PHE B 62 14.346 -1.012 -12.613 1.00 1.06 H new ATOM 0 HA PHE B 62 12.372 -2.970 -12.972 1.00 1.08 H new ATOM 0 HB2 PHE B 62 13.745 -4.342 -11.480 1.00 1.15 H new ATOM 0 HB3 PHE B 62 14.760 -3.468 -12.609 1.00 1.15 H new ATOM 0 HD1 PHE B 62 13.689 -3.706 -9.081 1.00 1.07 H new ATOM 0 HD2 PHE B 62 16.264 -1.712 -11.854 1.00 1.14 H new ATOM 0 HE1 PHE B 62 15.016 -2.813 -7.202 1.00 1.07 H new ATOM 0 HE2 PHE B 62 17.624 -0.862 -9.976 1.00 1.14 H new ATOM 0 HZ PHE B 62 16.976 -1.381 -7.652 1.00 1.10 H new ATOM 1975 N LEU B 63 12.079 -1.236 -10.255 1.00 0.90 N ATOM 1976 CA LEU B 63 11.229 -0.938 -9.122 1.00 0.80 C ATOM 1977 C LEU B 63 9.796 -0.695 -9.584 1.00 0.83 C ATOM 1978 O LEU B 63 8.848 -1.190 -8.983 1.00 0.83 O ATOM 1979 CB LEU B 63 11.751 0.300 -8.418 1.00 0.71 C ATOM 1980 CG LEU B 63 11.698 0.260 -6.907 1.00 0.64 C ATOM 1981 CD1 LEU B 63 13.112 0.193 -6.353 1.00 0.62 C ATOM 1982 CD2 LEU B 63 10.943 1.475 -6.392 1.00 0.62 C ATOM 0 H LEU B 63 12.781 -0.522 -10.448 1.00 0.90 H new ATOM 0 HA LEU B 63 11.238 -1.786 -8.437 1.00 0.80 H new ATOM 0 HB2 LEU B 63 12.785 0.462 -8.724 1.00 0.71 H new ATOM 0 HB3 LEU B 63 11.178 1.161 -8.762 1.00 0.71 H new ATOM 0 HG LEU B 63 11.165 -0.629 -6.570 1.00 0.64 H new ATOM 0 HD11 LEU B 63 13.075 0.164 -5.264 1.00 0.62 H new ATOM 0 HD12 LEU B 63 13.606 -0.705 -6.723 1.00 0.62 H new ATOM 0 HD13 LEU B 63 13.671 1.072 -6.674 1.00 0.62 H new ATOM 0 HD21 LEU B 63 10.905 1.445 -5.303 1.00 0.62 H new ATOM 0 HD22 LEU B 63 11.453 2.383 -6.713 1.00 0.62 H new ATOM 0 HD23 LEU B 63 9.928 1.469 -6.790 1.00 0.62 H new ATOM 1994 N LYS B 64 9.661 0.064 -10.672 1.00 0.87 N ATOM 1995 CA LYS B 64 8.358 0.390 -11.248 1.00 0.93 C ATOM 1996 C LYS B 64 7.691 -0.854 -11.845 1.00 0.97 C ATOM 1997 O LYS B 64 6.476 -0.911 -11.983 1.00 1.03 O ATOM 1998 CB LYS B 64 8.527 1.465 -12.325 1.00 1.02 C ATOM 1999 CG LYS B 64 7.216 2.037 -12.839 1.00 1.12 C ATOM 2000 CD LYS B 64 7.438 2.996 -14.000 1.00 1.30 C ATOM 2001 CE LYS B 64 7.904 2.266 -15.249 1.00 1.47 C ATOM 2002 NZ LYS B 64 8.032 3.185 -16.415 1.00 1.71 N ATOM 0 H LYS B 64 10.450 0.469 -11.177 1.00 0.87 H new ATOM 0 HA LYS B 64 7.714 0.768 -10.454 1.00 0.93 H new ATOM 0 HB2 LYS B 64 9.132 2.277 -11.922 1.00 1.02 H new ATOM 0 HB3 LYS B 64 9.080 1.041 -13.163 1.00 1.02 H new ATOM 0 HG2 LYS B 64 6.564 1.224 -13.158 1.00 1.12 H new ATOM 0 HG3 LYS B 64 6.704 2.557 -12.030 1.00 1.12 H new ATOM 0 HD2 LYS B 64 6.512 3.529 -14.214 1.00 1.30 H new ATOM 0 HD3 LYS B 64 8.179 3.744 -13.718 1.00 1.30 H new ATOM 0 HE2 LYS B 64 8.865 1.791 -15.054 1.00 1.47 H new ATOM 0 HE3 LYS B 64 7.198 1.471 -15.489 1.00 1.47 H new ATOM 0 HZ1 LYS B 64 8.352 2.648 -17.246 1.00 1.71 H new ATOM 0 HZ2 LYS B 64 7.109 3.620 -16.617 1.00 1.71 H new ATOM 0 HZ3 LYS B 64 8.724 3.929 -16.196 1.00 1.71 H new ATOM 2016 N LYS B 65 8.511 -1.839 -12.189 1.00 0.98 N ATOM 2017 CA LYS B 65 8.053 -3.110 -12.776 1.00 1.04 C ATOM 2018 C LYS B 65 7.426 -4.053 -11.745 1.00 1.02 C ATOM 2019 O LYS B 65 6.242 -4.372 -11.832 1.00 1.07 O ATOM 2020 CB LYS B 65 9.226 -3.810 -13.453 1.00 1.07 C ATOM 2021 CG LYS B 65 9.747 -3.004 -14.641 1.00 1.14 C ATOM 2022 CD LYS B 65 10.845 -3.771 -15.382 1.00 1.20 C ATOM 2023 CE LYS B 65 10.330 -5.057 -16.040 1.00 1.27 C ATOM 2024 NZ LYS B 65 9.321 -4.774 -17.070 1.00 1.36 N ATOM 0 H LYS B 65 9.523 -1.786 -12.071 1.00 0.98 H new ATOM 0 HA LYS B 65 7.277 -2.865 -13.502 1.00 1.04 H new ATOM 0 HB2 LYS B 65 10.029 -3.957 -12.731 1.00 1.07 H new ATOM 0 HB3 LYS B 65 8.916 -4.799 -13.791 1.00 1.07 H new ATOM 0 HG2 LYS B 65 8.927 -2.784 -15.324 1.00 1.14 H new ATOM 0 HG3 LYS B 65 10.137 -2.047 -14.294 1.00 1.14 H new ATOM 0 HD2 LYS B 65 11.280 -3.126 -16.146 1.00 1.20 H new ATOM 0 HD3 LYS B 65 11.643 -4.020 -14.683 1.00 1.20 H new ATOM 0 HE2 LYS B 65 11.165 -5.597 -16.487 1.00 1.27 H new ATOM 0 HE3 LYS B 65 9.900 -5.708 -15.279 1.00 1.27 H new ATOM 0 HZ1 LYS B 65 9.133 -5.638 -17.618 1.00 1.36 H new ATOM 0 HZ2 LYS B 65 8.442 -4.454 -16.616 1.00 1.36 H new ATOM 0 HZ3 LYS B 65 9.673 -4.030 -17.706 1.00 1.36 H new ATOM 2038 N VAL B 66 8.182 -4.357 -10.692 1.00 0.96 N ATOM 2039 CA VAL B 66 7.686 -5.212 -9.620 1.00 0.95 C ATOM 2040 C VAL B 66 6.475 -4.578 -8.916 1.00 0.95 C ATOM 2041 O VAL B 66 5.610 -5.292 -8.418 1.00 0.97 O ATOM 2042 CB VAL B 66 8.786 -5.538 -8.584 1.00 0.92 C ATOM 2043 CG1 VAL B 66 9.982 -6.175 -9.271 1.00 0.93 C ATOM 2044 CG2 VAL B 66 9.207 -4.298 -7.806 1.00 0.91 C ATOM 0 H VAL B 66 9.137 -4.024 -10.560 1.00 0.96 H new ATOM 0 HA VAL B 66 7.373 -6.146 -10.086 1.00 0.95 H new ATOM 0 HB VAL B 66 8.373 -6.248 -7.867 1.00 0.92 H new ATOM 0 HG11 VAL B 66 10.750 -6.400 -8.531 1.00 0.93 H new ATOM 0 HG12 VAL B 66 9.671 -7.097 -9.763 1.00 0.93 H new ATOM 0 HG13 VAL B 66 10.385 -5.486 -10.013 1.00 0.93 H new ATOM 0 HG21 VAL B 66 9.981 -4.565 -7.087 1.00 0.91 H new ATOM 0 HG22 VAL B 66 9.596 -3.550 -8.497 1.00 0.91 H new ATOM 0 HG23 VAL B 66 8.346 -3.891 -7.277 1.00 0.91 H new ATOM 2054 N ILE B 67 6.404 -3.234 -8.882 1.00 0.95 N ATOM 2055 CA ILE B 67 5.265 -2.557 -8.255 1.00 0.97 C ATOM 2056 C ILE B 67 4.116 -2.426 -9.249 1.00 1.02 C ATOM 2057 O ILE B 67 2.969 -2.211 -8.863 1.00 1.08 O ATOM 2058 CB ILE B 67 5.601 -1.165 -7.661 1.00 0.99 C ATOM 2059 CG1 ILE B 67 5.893 -0.141 -8.765 1.00 1.00 C ATOM 2060 CG2 ILE B 67 6.769 -1.264 -6.688 1.00 0.98 C ATOM 2061 CD1 ILE B 67 6.031 1.279 -8.255 1.00 1.07 C ATOM 0 H ILE B 67 7.109 -2.610 -9.274 1.00 0.95 H new ATOM 0 HA ILE B 67 4.975 -3.187 -7.414 1.00 0.97 H new ATOM 0 HB ILE B 67 4.726 -0.816 -7.112 1.00 0.99 H new ATOM 0 HG12 ILE B 67 6.812 -0.425 -9.278 1.00 1.00 H new ATOM 0 HG13 ILE B 67 5.092 -0.177 -9.503 1.00 1.00 H new ATOM 0 HG21 ILE B 67 6.989 -0.277 -6.282 1.00 0.98 H new ATOM 0 HG22 ILE B 67 6.508 -1.941 -5.874 1.00 0.98 H new ATOM 0 HG23 ILE B 67 7.646 -1.645 -7.210 1.00 0.98 H new ATOM 0 HD11 ILE B 67 6.237 1.947 -9.091 1.00 1.07 H new ATOM 0 HD12 ILE B 67 5.104 1.582 -7.767 1.00 1.07 H new ATOM 0 HD13 ILE B 67 6.851 1.330 -7.539 1.00 1.07 H new ATOM 2073 N GLN B 68 4.431 -2.518 -10.540 1.00 1.04 N ATOM 2074 CA GLN B 68 3.387 -2.483 -11.578 1.00 1.12 C ATOM 2075 C GLN B 68 2.642 -3.826 -11.639 1.00 1.11 C ATOM 2076 O GLN B 68 1.412 -3.860 -11.671 1.00 1.15 O ATOM 2077 CB GLN B 68 4.016 -2.177 -12.930 1.00 1.19 C ATOM 2078 CG GLN B 68 2.942 -1.943 -13.985 1.00 1.30 C ATOM 2079 CD GLN B 68 3.582 -1.608 -15.327 1.00 1.39 C ATOM 2080 OE1 GLN B 68 4.416 -2.314 -15.872 1.00 1.39 O ATOM 2081 NE2 GLN B 68 3.136 -0.506 -15.881 1.00 1.52 N ATOM 0 H GLN B 68 5.382 -2.616 -10.894 1.00 1.04 H new ATOM 0 HA GLN B 68 2.671 -1.700 -11.327 1.00 1.12 H new ATOM 0 HB2 GLN B 68 4.651 -1.295 -12.849 1.00 1.19 H new ATOM 0 HB3 GLN B 68 4.657 -3.005 -13.234 1.00 1.19 H new ATOM 0 HG2 GLN B 68 2.320 -2.832 -14.083 1.00 1.30 H new ATOM 0 HG3 GLN B 68 2.288 -1.129 -13.673 1.00 1.30 H new ATOM 0 HE21 GLN B 68 2.439 0.061 -15.399 1.00 1.52 H new ATOM 0 HE22 GLN B 68 3.486 -0.216 -16.794 1.00 1.52 H new ATOM 2090 N LYS B 69 3.399 -4.924 -11.571 1.00 1.10 N ATOM 2091 CA LYS B 69 2.832 -6.276 -11.624 1.00 1.13 C ATOM 2092 C LYS B 69 1.867 -6.565 -10.468 1.00 1.15 C ATOM 2093 O LYS B 69 0.933 -7.350 -10.625 1.00 1.23 O ATOM 2094 CB LYS B 69 3.950 -7.323 -11.611 1.00 1.11 C ATOM 2095 CG LYS B 69 4.645 -7.502 -12.951 1.00 1.16 C ATOM 2096 CD LYS B 69 5.570 -8.709 -12.934 1.00 1.24 C ATOM 2097 CE LYS B 69 6.100 -9.030 -14.322 1.00 1.40 C ATOM 2098 NZ LYS B 69 6.904 -10.284 -14.334 1.00 1.61 N ATOM 0 H LYS B 69 4.415 -4.903 -11.478 1.00 1.10 H new ATOM 0 HA LYS B 69 2.265 -6.334 -12.553 1.00 1.13 H new ATOM 0 HB2 LYS B 69 4.691 -7.039 -10.864 1.00 1.11 H new ATOM 0 HB3 LYS B 69 3.533 -8.281 -11.299 1.00 1.11 H new ATOM 0 HG2 LYS B 69 3.900 -7.623 -13.737 1.00 1.16 H new ATOM 0 HG3 LYS B 69 5.217 -6.605 -13.190 1.00 1.16 H new ATOM 0 HD2 LYS B 69 6.405 -8.518 -12.261 1.00 1.24 H new ATOM 0 HD3 LYS B 69 5.034 -9.573 -12.540 1.00 1.24 H new ATOM 0 HE2 LYS B 69 5.265 -9.128 -15.016 1.00 1.40 H new ATOM 0 HE3 LYS B 69 6.714 -8.202 -14.677 1.00 1.40 H new ATOM 0 HZ1 LYS B 69 7.247 -10.467 -15.299 1.00 1.61 H new ATOM 0 HZ2 LYS B 69 7.715 -10.182 -13.692 1.00 1.61 H new ATOM 0 HZ3 LYS B 69 6.312 -11.079 -14.020 1.00 1.61 H new ATOM 2112 N ILE B 70 2.088 -5.940 -9.311 1.00 1.14 N ATOM 2113 CA ILE B 70 1.222 -6.169 -8.150 1.00 1.20 C ATOM 2114 C ILE B 70 -0.018 -5.272 -8.168 1.00 1.31 C ATOM 2115 O ILE B 70 -0.834 -5.310 -7.246 1.00 1.43 O ATOM 2116 CB ILE B 70 1.976 -5.975 -6.815 1.00 1.18 C ATOM 2117 CG1 ILE B 70 2.615 -4.585 -6.747 1.00 1.17 C ATOM 2118 CG2 ILE B 70 3.027 -7.062 -6.642 1.00 1.29 C ATOM 2119 CD1 ILE B 70 3.445 -4.351 -5.500 1.00 1.30 C ATOM 0 H ILE B 70 2.849 -5.279 -9.152 1.00 1.14 H new ATOM 0 HA ILE B 70 0.901 -7.208 -8.222 1.00 1.20 H new ATOM 0 HB ILE B 70 1.258 -6.054 -5.998 1.00 1.18 H new ATOM 0 HG12 ILE B 70 3.247 -4.443 -7.624 1.00 1.17 H new ATOM 0 HG13 ILE B 70 1.829 -3.832 -6.795 1.00 1.17 H new ATOM 0 HG21 ILE B 70 3.551 -6.914 -5.698 1.00 1.29 H new ATOM 0 HG22 ILE B 70 2.543 -8.039 -6.639 1.00 1.29 H new ATOM 0 HG23 ILE B 70 3.740 -7.013 -7.465 1.00 1.29 H new ATOM 0 HD11 ILE B 70 3.864 -3.345 -5.525 1.00 1.30 H new ATOM 0 HD12 ILE B 70 2.814 -4.459 -4.618 1.00 1.30 H new ATOM 0 HD13 ILE B 70 4.254 -5.080 -5.459 1.00 1.30 H new ATOM 2131 N LEU B 71 -0.155 -4.473 -9.220 1.00 1.33 N ATOM 2132 CA LEU B 71 -1.301 -3.581 -9.367 1.00 1.48 C ATOM 2133 C LEU B 71 -2.135 -3.980 -10.580 1.00 1.57 C ATOM 2134 O LEU B 71 -3.363 -3.895 -10.560 1.00 1.69 O ATOM 2135 CB LEU B 71 -0.840 -2.127 -9.509 1.00 1.53 C ATOM 2136 CG LEU B 71 -0.253 -1.494 -8.243 1.00 1.62 C ATOM 2137 CD1 LEU B 71 0.296 -0.110 -8.549 1.00 1.79 C ATOM 2138 CD2 LEU B 71 -1.304 -1.418 -7.143 1.00 1.64 C ATOM 0 H LEU B 71 0.516 -4.424 -9.987 1.00 1.33 H new ATOM 0 HA LEU B 71 -1.915 -3.668 -8.471 1.00 1.48 H new ATOM 0 HB2 LEU B 71 -0.091 -2.077 -10.300 1.00 1.53 H new ATOM 0 HB3 LEU B 71 -1.688 -1.525 -9.835 1.00 1.53 H new ATOM 0 HG LEU B 71 0.565 -2.123 -7.892 1.00 1.62 H new ATOM 0 HD11 LEU B 71 0.709 0.327 -7.640 1.00 1.79 H new ATOM 0 HD12 LEU B 71 1.079 -0.188 -9.303 1.00 1.79 H new ATOM 0 HD13 LEU B 71 -0.507 0.525 -8.924 1.00 1.79 H new ATOM 0 HD21 LEU B 71 -0.867 -0.966 -6.253 1.00 1.64 H new ATOM 0 HD22 LEU B 71 -2.144 -0.812 -7.483 1.00 1.64 H new ATOM 0 HD23 LEU B 71 -1.655 -2.422 -6.905 1.00 1.64 H new ATOM 2150 N ASP B 72 -1.452 -4.417 -11.635 1.00 1.58 N ATOM 2151 CA ASP B 72 -2.107 -4.836 -12.867 1.00 1.72 C ATOM 2152 C ASP B 72 -2.552 -6.291 -12.763 1.00 1.72 C ATOM 2153 O ASP B 72 -3.653 -6.644 -13.180 1.00 1.79 O ATOM 2154 CB ASP B 72 -1.162 -4.658 -14.058 1.00 1.80 C ATOM 2155 CG ASP B 72 -1.724 -5.245 -15.339 1.00 2.04 C ATOM 2156 OD1 ASP B 72 -2.773 -4.754 -15.805 1.00 2.25 O ATOM 2157 OD2 ASP B 72 -1.118 -6.198 -15.873 1.00 2.11 O ATOM 0 H ASP B 72 -0.435 -4.490 -11.659 1.00 1.58 H new ATOM 0 HA ASP B 72 -2.987 -4.211 -13.021 1.00 1.72 H new ATOM 0 HB2 ASP B 72 -0.964 -3.596 -14.205 1.00 1.80 H new ATOM 0 HB3 ASP B 72 -0.207 -5.132 -13.834 1.00 1.80 H new ATOM 2162 N GLY B 73 -1.685 -7.125 -12.188 1.00 1.66 N ATOM 2163 CA GLY B 73 -1.996 -8.535 -12.025 1.00 1.69 C ATOM 2164 C GLY B 73 -3.103 -8.770 -11.014 1.00 1.70 C ATOM 2165 O GLY B 73 -3.779 -9.798 -11.052 1.00 1.76 O ATOM 0 H GLY B 73 -0.771 -6.847 -11.832 1.00 1.66 H new ATOM 0 HA2 GLY B 73 -2.292 -8.953 -12.987 1.00 1.69 H new ATOM 0 HA3 GLY B 73 -1.099 -9.068 -11.708 1.00 1.69 H new ATOM 2169 N GLY B 74 -3.284 -7.809 -10.108 1.00 1.68 N ATOM 2170 CA GLY B 74 -4.322 -7.914 -9.097 1.00 1.74 C ATOM 2171 C GLY B 74 -5.708 -7.703 -9.677 1.00 1.83 C ATOM 2172 O GLY B 74 -6.694 -8.221 -9.154 1.00 2.04 O ATOM 0 H GLY B 74 -2.726 -6.956 -10.058 1.00 1.68 H new ATOM 0 HA2 GLY B 74 -4.272 -8.896 -8.627 1.00 1.74 H new ATOM 0 HA3 GLY B 74 -4.141 -7.177 -8.315 1.00 1.74 H new ATOM 2176 N ASN B 75 -5.779 -6.936 -10.765 1.00 1.81 N ATOM 2177 CA ASN B 75 -7.044 -6.658 -11.438 1.00 1.91 C ATOM 2178 C ASN B 75 -7.477 -7.863 -12.269 1.00 1.93 C ATOM 2179 O ASN B 75 -8.663 -8.055 -12.538 1.00 2.00 O ATOM 2180 CB ASN B 75 -6.902 -5.426 -12.336 1.00 1.98 C ATOM 2181 CG ASN B 75 -8.237 -4.903 -12.836 1.00 2.16 C ATOM 2182 OD1 ASN B 75 -9.253 -4.993 -12.148 1.00 2.32 O ATOM 2183 ND2 ASN B 75 -8.240 -4.351 -14.044 1.00 2.27 N ATOM 0 H ASN B 75 -4.969 -6.495 -11.200 1.00 1.81 H new ATOM 0 HA ASN B 75 -7.805 -6.461 -10.683 1.00 1.91 H new ATOM 0 HB2 ASN B 75 -6.392 -4.637 -11.784 1.00 1.98 H new ATOM 0 HB3 ASN B 75 -6.272 -5.676 -13.190 1.00 1.98 H new ATOM 0 HD21 ASN B 75 -9.107 -3.982 -14.434 1.00 2.27 H new ATOM 0 HD22 ASN B 75 -7.375 -4.296 -14.582 1.00 2.27 H new ATOM 2190 N LYS B 76 -6.501 -8.679 -12.668 1.00 1.93 N ATOM 2191 CA LYS B 76 -6.772 -9.870 -13.465 1.00 1.99 C ATOM 2192 C LYS B 76 -7.222 -11.028 -12.573 1.00 1.96 C ATOM 2193 O LYS B 76 -7.818 -11.997 -13.047 1.00 2.06 O ATOM 2194 CB LYS B 76 -5.523 -10.271 -14.260 1.00 2.03 C ATOM 2195 CG LYS B 76 -5.807 -11.209 -15.425 1.00 2.17 C ATOM 2196 CD LYS B 76 -6.568 -10.505 -16.539 1.00 2.29 C ATOM 2197 CE LYS B 76 -7.017 -11.483 -17.613 1.00 2.46 C ATOM 2198 NZ LYS B 76 -8.005 -12.466 -17.089 1.00 2.45 N ATOM 0 H LYS B 76 -5.515 -8.534 -12.451 1.00 1.93 H new ATOM 0 HA LYS B 76 -7.577 -9.640 -14.163 1.00 1.99 H new ATOM 0 HB2 LYS B 76 -5.042 -9.370 -14.641 1.00 2.03 H new ATOM 0 HB3 LYS B 76 -4.813 -10.750 -13.585 1.00 2.03 H new ATOM 0 HG2 LYS B 76 -4.867 -11.599 -15.816 1.00 2.17 H new ATOM 0 HG3 LYS B 76 -6.385 -12.063 -15.072 1.00 2.17 H new ATOM 0 HD2 LYS B 76 -7.437 -9.997 -16.122 1.00 2.29 H new ATOM 0 HD3 LYS B 76 -5.935 -9.739 -16.986 1.00 2.29 H new ATOM 0 HE2 LYS B 76 -7.458 -10.933 -18.444 1.00 2.46 H new ATOM 0 HE3 LYS B 76 -6.150 -12.014 -18.006 1.00 2.46 H new ATOM 0 HZ1 LYS B 76 -8.510 -12.908 -17.884 1.00 2.45 H new ATOM 0 HZ2 LYS B 76 -7.509 -13.199 -16.543 1.00 2.45 H new ATOM 0 HZ3 LYS B 76 -8.687 -11.978 -16.474 1.00 2.45 H new ATOM 2212 N GLU B 77 -6.930 -10.915 -11.278 1.00 1.88 N ATOM 2213 CA GLU B 77 -7.299 -11.937 -10.304 1.00 1.89 C ATOM 2214 C GLU B 77 -8.813 -11.944 -10.086 1.00 1.97 C ATOM 2215 O GLU B 77 -9.384 -10.960 -9.613 1.00 1.98 O ATOM 2216 CB GLU B 77 -6.570 -11.673 -8.982 1.00 1.86 C ATOM 2217 CG GLU B 77 -6.904 -12.660 -7.874 1.00 1.94 C ATOM 2218 CD GLU B 77 -6.700 -12.070 -6.490 1.00 2.35 C ATOM 2219 OE1 GLU B 77 -5.532 -11.879 -6.091 1.00 2.65 O ATOM 2220 OE2 GLU B 77 -7.709 -11.796 -5.806 1.00 2.78 O ATOM 0 H GLU B 77 -6.435 -10.118 -10.878 1.00 1.88 H new ATOM 0 HA GLU B 77 -7.005 -12.915 -10.684 1.00 1.89 H new ATOM 0 HB2 GLU B 77 -5.495 -11.697 -9.162 1.00 1.86 H new ATOM 0 HB3 GLU B 77 -6.813 -10.667 -8.641 1.00 1.86 H new ATOM 0 HG2 GLU B 77 -7.940 -12.983 -7.979 1.00 1.94 H new ATOM 0 HG3 GLU B 77 -6.281 -13.548 -7.983 1.00 1.94 H new ATOM 2227 N ASN B 78 -9.461 -13.057 -10.437 1.00 2.10 N ATOM 2228 CA ASN B 78 -10.911 -13.168 -10.287 1.00 2.25 C ATOM 2229 C ASN B 78 -11.293 -14.276 -9.311 1.00 2.37 C ATOM 2230 O ASN B 78 -11.220 -15.464 -9.700 1.00 2.48 O ATOM 2231 CB ASN B 78 -11.551 -13.427 -11.651 1.00 2.40 C ATOM 2232 CG ASN B 78 -11.358 -12.266 -12.612 1.00 2.36 C ATOM 2233 OD1 ASN B 78 -11.173 -12.469 -13.811 1.00 2.45 O ATOM 2234 ND2 ASN B 78 -11.413 -11.040 -12.092 1.00 2.29 N ATOM 2235 OXT ASN B 78 -11.692 -13.942 -8.175 1.00 2.38 O ATOM 0 H ASN B 78 -9.009 -13.886 -10.823 1.00 2.10 H new ATOM 0 HA ASN B 78 -11.281 -12.227 -9.880 1.00 2.25 H new ATOM 0 HB2 ASN B 78 -11.121 -14.330 -12.085 1.00 2.40 H new ATOM 0 HB3 ASN B 78 -12.617 -13.613 -11.520 1.00 2.40 H new ATOM 0 HD21 ASN B 78 -11.300 -10.225 -12.695 1.00 2.29 H new ATOM 0 HD22 ASN B 78 -11.568 -10.917 -11.091 1.00 2.29 H new TER 2242 ASN B 78