USER MOD reduce.3.24.130724 H: found=0, std=0, add=1125, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1125 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 94 LYS NZ :NH3+ -171:sc= 0.335 (180deg=0.3) USER MOD Set 1.2: A 112 MET CE :methyl 168:sc= -0.107 (180deg=-0.486) USER MOD Set 1.3: A 143 THR OG1 : rot 84:sc= 1.35 USER MOD Set 2.1: A 64 GLN : amide:sc= 1.09 K(o=2.2,f=0.48) USER MOD Set 2.2: A 67 ASN : amide:sc= -0.142 K(o=2.2,f=0.66) USER MOD Set 2.3: A 69 HIS : no HD1:sc= 1.26 K(o=2.2,f=-9!) USER MOD Set 3.1: A 31 GLN : amide:sc= 1.12 K(o=2.1,f=-0.28) USER MOD Set 3.2: A 35 ASN : amide:sc= 1.01 K(o=2.1,f=1.1) USER MOD Set 4.1: A 16 MET CE :methyl -158:sc= -0.13 (180deg=-1.03) USER MOD Set 4.2: A 30 MET CE :methyl -177:sc= 0 (180deg=-0.0356) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl 167:sc= 0 (180deg=-0.207) USER MOD Single : A 6 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0632) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= 0.443 K(o=0.44,f=-6.7!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0.636 K(o=0.64,f=0) USER MOD Single : A 24 ASN : amide:sc= 0.613 K(o=0.61,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0069) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 1.13 K(o=1.1,f=-0.0017) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.0577 K(o=-0.058,f=-0.82) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -172:sc= 0.764 (180deg=0.735) USER MOD Single : A 66 MET CE :methyl -121:sc=-0.00944 (180deg=-0.124) USER MOD Single : A 70 HIS : no HD1:sc= 0.495 K(o=1.7,f=-7.5!) USER MOD Single : A 72 LYS NZ :NH3+ -171:sc=-0.000345 (180deg=-0.0721) USER MOD Single : A 74 MET CE :methyl -118:sc= -0.0113 (180deg=-0.107) USER MOD Single : A 78 MET CE :methyl 164:sc=-0.00816 (180deg=-0.308) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HD1:sc= -0.672 K(o=-0.67,f=-5.8!) USER MOD Single : A 86 MET CE :methyl -173:sc= 0 (180deg=-0.0657) USER MOD Single : A 88 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0176) USER MOD Single : A 89 GLN : amide:sc= -0.329 X(o=-0.33,f=0.0036) USER MOD Single : A 95 HIS : no HD1:sc= 1.02 K(o=1,f=-4.3!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -1.48 K(o=-1.5,f=0) USER MOD Single : A 111 THR OG1 : rot 160:sc= 0.24 USER MOD Single : A 114 ASN : amide:sc= 0.71 K(o=0.71,f=-0.81) USER MOD Single : A 117 MET CE :methyl -165:sc= -0.014 (180deg=-0.331) USER MOD Single : A 120 LYS NZ :NH3+ -178:sc= 1.25 (180deg=1.19) USER MOD Single : A 124 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 125 LYS NZ :NH3+ -166:sc= 0.579 (180deg=0.465) USER MOD Single : A 131 THR OG1 : rot 180:sc= -0.062 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 2.245 -27.428 6.808 1.00 62.32 N ATOM 2 CA SER A 1 3.209 -26.681 5.904 1.00 15.30 C ATOM 3 C SER A 1 3.263 -27.164 4.463 1.00 13.34 C ATOM 4 O SER A 1 3.303 -26.359 3.532 1.00 14.10 O ATOM 5 CB SER A 1 4.660 -26.732 6.478 1.00 41.43 C ATOM 6 OG SER A 1 4.771 -26.017 7.710 1.00 4.03 O ATOM 0 H1 SER A 1 2.283 -27.024 7.765 1.00 62.32 H new ATOM 0 H2 SER A 1 1.279 -27.340 6.433 1.00 62.32 H new ATOM 0 H3 SER A 1 2.512 -28.432 6.846 1.00 62.32 H new ATOM 0 HA SER A 1 2.812 -25.666 5.885 1.00 15.30 H new ATOM 0 HB2 SER A 1 4.953 -27.770 6.633 1.00 41.43 H new ATOM 0 HB3 SER A 1 5.353 -26.311 5.750 1.00 41.43 H new ATOM 0 HG SER A 1 5.692 -26.073 8.039 1.00 4.03 H new ATOM 14 N LYS A 2 3.262 -28.501 4.249 1.00 55.50 N ATOM 15 CA LYS A 2 3.545 -29.168 2.987 1.00 12.11 C ATOM 16 C LYS A 2 2.562 -28.839 1.881 1.00 33.20 C ATOM 17 O LYS A 2 2.949 -28.570 0.749 1.00 22.40 O ATOM 18 CB LYS A 2 3.543 -30.703 3.182 1.00 35.42 C ATOM 19 CG LYS A 2 4.699 -31.228 4.047 1.00 43.31 C ATOM 20 CD LYS A 2 4.615 -32.751 4.236 1.00 12.32 C ATOM 21 CE LYS A 2 5.771 -33.317 5.058 1.00 15.10 C ATOM 22 NZ LYS A 2 5.591 -34.771 5.227 1.00 14.11 N ATOM 0 H LYS A 2 3.052 -29.162 4.997 1.00 55.50 H new ATOM 0 HA LYS A 2 4.525 -28.801 2.681 1.00 12.11 H new ATOM 0 HB2 LYS A 2 2.599 -30.999 3.639 1.00 35.42 H new ATOM 0 HB3 LYS A 2 3.588 -31.183 2.204 1.00 35.42 H new ATOM 0 HG2 LYS A 2 5.650 -30.970 3.581 1.00 43.31 H new ATOM 0 HG3 LYS A 2 4.678 -30.738 5.020 1.00 43.31 H new ATOM 0 HD2 LYS A 2 3.673 -32.999 4.726 1.00 12.32 H new ATOM 0 HD3 LYS A 2 4.602 -33.232 3.258 1.00 12.32 H new ATOM 0 HE2 LYS A 2 6.719 -33.113 4.560 1.00 15.10 H new ATOM 0 HE3 LYS A 2 5.811 -32.829 6.032 1.00 15.10 H new ATOM 0 HZ1 LYS A 2 6.379 -35.156 5.787 1.00 14.11 H new ATOM 0 HZ2 LYS A 2 4.694 -34.955 5.720 1.00 14.11 H new ATOM 0 HZ3 LYS A 2 5.574 -35.229 4.294 1.00 14.11 H new ATOM 36 N GLU A 3 1.250 -28.831 2.204 1.00 64.21 N ATOM 37 CA GLU A 3 0.181 -28.540 1.262 1.00 31.23 C ATOM 38 C GLU A 3 -0.194 -27.079 1.216 1.00 60.10 C ATOM 39 O GLU A 3 -1.161 -26.676 0.575 1.00 10.10 O ATOM 40 CB GLU A 3 -1.076 -29.413 1.542 1.00 23.13 C ATOM 41 CG GLU A 3 -1.805 -29.119 2.879 1.00 71.42 C ATOM 42 CD GLU A 3 -2.996 -30.056 3.100 1.00 24.23 C ATOM 43 OE1 GLU A 3 -2.961 -30.808 4.109 1.00 20.35 O ATOM 44 OE2 GLU A 3 -3.943 -30.019 2.274 1.00 22.05 O ATOM 0 H GLU A 3 0.913 -29.032 3.146 1.00 64.21 H new ATOM 0 HA GLU A 3 0.577 -28.795 0.279 1.00 31.23 H new ATOM 0 HB2 GLU A 3 -1.783 -29.275 0.724 1.00 23.13 H new ATOM 0 HB3 GLU A 3 -0.779 -30.462 1.533 1.00 23.13 H new ATOM 0 HG2 GLU A 3 -1.103 -29.224 3.706 1.00 71.42 H new ATOM 0 HG3 GLU A 3 -2.151 -28.085 2.884 1.00 71.42 H new ATOM 51 N VAL A 4 0.578 -26.268 1.945 1.00 22.11 N ATOM 52 CA VAL A 4 0.283 -24.864 2.197 1.00 11.41 C ATOM 53 C VAL A 4 1.266 -24.027 1.406 1.00 40.01 C ATOM 54 O VAL A 4 0.919 -23.240 0.529 1.00 54.41 O ATOM 55 CB VAL A 4 0.474 -24.480 3.665 1.00 40.24 C ATOM 56 CG1 VAL A 4 0.122 -23.000 3.902 1.00 51.32 C ATOM 57 CG2 VAL A 4 -0.262 -25.413 4.631 1.00 2.40 C ATOM 0 H VAL A 4 1.444 -26.581 2.384 1.00 22.11 H new ATOM 0 HA VAL A 4 -0.756 -24.694 1.916 1.00 11.41 H new ATOM 0 HB VAL A 4 1.533 -24.608 3.887 1.00 40.24 H new ATOM 0 HG11 VAL A 4 0.267 -22.755 4.954 1.00 51.32 H new ATOM 0 HG12 VAL A 4 0.768 -22.370 3.291 1.00 51.32 H new ATOM 0 HG13 VAL A 4 -0.919 -22.825 3.629 1.00 51.32 H new ATOM 0 HG21 VAL A 4 -0.087 -25.087 5.656 1.00 2.40 H new ATOM 0 HG22 VAL A 4 -1.331 -25.386 4.419 1.00 2.40 H new ATOM 0 HG23 VAL A 4 0.107 -26.431 4.506 1.00 2.40 H new ATOM 67 N MET A 5 2.545 -24.222 1.779 1.00 0.43 N ATOM 68 CA MET A 5 3.762 -23.582 1.386 1.00 51.44 C ATOM 69 C MET A 5 3.760 -22.069 1.457 1.00 42.12 C ATOM 70 O MET A 5 4.282 -21.379 0.583 1.00 41.21 O ATOM 71 CB MET A 5 4.252 -24.066 -0.008 1.00 11.52 C ATOM 72 CG MET A 5 4.574 -25.574 -0.063 1.00 72.23 C ATOM 73 SD MET A 5 5.131 -26.168 -1.693 1.00 10.52 S ATOM 74 CE MET A 5 6.780 -25.405 -1.690 1.00 44.41 C ATOM 0 H MET A 5 2.748 -24.947 2.467 1.00 0.43 H new ATOM 0 HA MET A 5 4.474 -23.900 2.148 1.00 51.44 H new ATOM 0 HB2 MET A 5 3.487 -23.839 -0.751 1.00 11.52 H new ATOM 0 HB3 MET A 5 5.143 -23.503 -0.286 1.00 11.52 H new ATOM 0 HG2 MET A 5 5.346 -25.795 0.674 1.00 72.23 H new ATOM 0 HG3 MET A 5 3.685 -26.133 0.229 1.00 72.23 H new ATOM 0 HE1 MET A 5 7.379 -25.830 -2.495 1.00 44.41 H new ATOM 0 HE2 MET A 5 6.684 -24.330 -1.839 1.00 44.41 H new ATOM 0 HE3 MET A 5 7.268 -25.597 -0.734 1.00 44.41 H new ATOM 84 N LYS A 6 3.190 -21.519 2.549 1.00 40.33 N ATOM 85 CA LYS A 6 3.134 -20.097 2.792 1.00 43.40 C ATOM 86 C LYS A 6 4.107 -19.616 3.830 1.00 43.23 C ATOM 87 O LYS A 6 4.807 -20.367 4.506 1.00 52.32 O ATOM 88 CB LYS A 6 1.732 -19.561 3.185 1.00 24.43 C ATOM 89 CG LYS A 6 0.688 -19.654 2.069 1.00 31.55 C ATOM 90 CD LYS A 6 0.988 -18.768 0.844 1.00 15.42 C ATOM 91 CE LYS A 6 -0.126 -18.743 -0.208 1.00 3.55 C ATOM 92 NZ LYS A 6 -1.316 -18.041 0.313 1.00 2.34 N ATOM 0 H LYS A 6 2.755 -22.074 3.286 1.00 40.33 H new ATOM 0 HA LYS A 6 3.407 -19.696 1.816 1.00 43.40 H new ATOM 0 HB2 LYS A 6 1.372 -20.117 4.051 1.00 24.43 H new ATOM 0 HB3 LYS A 6 1.827 -18.520 3.492 1.00 24.43 H new ATOM 0 HG2 LYS A 6 0.613 -20.691 1.743 1.00 31.55 H new ATOM 0 HG3 LYS A 6 -0.285 -19.376 2.474 1.00 31.55 H new ATOM 0 HD2 LYS A 6 1.172 -17.749 1.184 1.00 15.42 H new ATOM 0 HD3 LYS A 6 1.907 -19.118 0.374 1.00 15.42 H new ATOM 0 HE2 LYS A 6 0.230 -18.246 -1.111 1.00 3.55 H new ATOM 0 HE3 LYS A 6 -0.392 -19.762 -0.488 1.00 3.55 H new ATOM 0 HZ1 LYS A 6 -2.008 -17.914 -0.453 1.00 2.34 H new ATOM 0 HZ2 LYS A 6 -1.744 -18.603 1.076 1.00 2.34 H new ATOM 0 HZ3 LYS A 6 -1.036 -17.111 0.684 1.00 2.34 H new ATOM 106 N GLN A 7 4.155 -18.279 3.922 1.00 11.43 N ATOM 107 CA GLN A 7 5.000 -17.536 4.824 1.00 11.11 C ATOM 108 C GLN A 7 4.187 -16.377 5.355 1.00 4.24 C ATOM 109 O GLN A 7 3.191 -15.979 4.751 1.00 73.33 O ATOM 110 CB GLN A 7 6.296 -17.029 4.131 1.00 64.51 C ATOM 111 CG GLN A 7 6.066 -16.059 2.948 1.00 23.31 C ATOM 112 CD GLN A 7 7.396 -15.653 2.306 1.00 41.15 C ATOM 113 OE1 GLN A 7 8.038 -14.690 2.729 1.00 45.04 O ATOM 114 NE2 GLN A 7 7.822 -16.402 1.255 1.00 30.55 N ATOM 0 H GLN A 7 3.576 -17.675 3.339 1.00 11.43 H new ATOM 0 HA GLN A 7 5.327 -18.187 5.635 1.00 11.11 H new ATOM 0 HB2 GLN A 7 6.917 -16.530 4.875 1.00 64.51 H new ATOM 0 HB3 GLN A 7 6.859 -17.890 3.771 1.00 64.51 H new ATOM 0 HG2 GLN A 7 5.428 -16.534 2.203 1.00 23.31 H new ATOM 0 HG3 GLN A 7 5.541 -15.170 3.298 1.00 23.31 H new ATOM 0 HE21 GLN A 7 7.264 -17.192 0.932 1.00 30.55 H new ATOM 0 HE22 GLN A 7 8.700 -16.174 0.789 1.00 30.55 H new ATOM 123 N MET A 8 4.575 -15.840 6.529 1.00 62.22 N ATOM 124 CA MET A 8 3.851 -14.793 7.210 1.00 24.42 C ATOM 125 C MET A 8 4.855 -13.946 7.957 1.00 50.22 C ATOM 126 O MET A 8 5.988 -14.370 8.184 1.00 15.41 O ATOM 127 CB MET A 8 2.768 -15.345 8.186 1.00 50.31 C ATOM 128 CG MET A 8 3.271 -16.185 9.385 1.00 54.31 C ATOM 129 SD MET A 8 3.788 -17.888 8.991 1.00 52.43 S ATOM 130 CE MET A 8 4.225 -18.326 10.697 1.00 52.01 C ATOM 0 H MET A 8 5.416 -16.139 7.023 1.00 62.22 H new ATOM 0 HA MET A 8 3.313 -14.201 6.470 1.00 24.42 H new ATOM 0 HB2 MET A 8 2.201 -14.500 8.577 1.00 50.31 H new ATOM 0 HB3 MET A 8 2.073 -15.956 7.611 1.00 50.31 H new ATOM 0 HG2 MET A 8 4.113 -15.665 9.842 1.00 54.31 H new ATOM 0 HG3 MET A 8 2.479 -16.228 10.133 1.00 54.31 H new ATOM 0 HE1 MET A 8 4.583 -19.355 10.728 1.00 52.01 H new ATOM 0 HE2 MET A 8 5.009 -17.658 11.055 1.00 52.01 H new ATOM 0 HE3 MET A 8 3.346 -18.228 11.334 1.00 52.01 H new ATOM 140 N THR A 9 4.478 -12.702 8.326 1.00 13.12 N ATOM 141 CA THR A 9 5.345 -11.781 9.045 1.00 43.03 C ATOM 142 C THR A 9 5.303 -12.000 10.550 1.00 53.30 C ATOM 143 O THR A 9 4.434 -12.686 11.085 1.00 33.12 O ATOM 144 CB THR A 9 5.062 -10.320 8.708 1.00 44.22 C ATOM 145 OG1 THR A 9 3.726 -9.947 9.021 1.00 63.52 O ATOM 146 CG2 THR A 9 5.298 -10.078 7.206 1.00 3.32 C ATOM 0 H THR A 9 3.554 -12.319 8.125 1.00 13.12 H new ATOM 0 HA THR A 9 6.355 -12.006 8.703 1.00 43.03 H new ATOM 0 HB THR A 9 5.739 -9.714 9.310 1.00 44.22 H new ATOM 0 HG1 THR A 9 3.587 -9.004 8.792 1.00 63.52 H new ATOM 0 HG21 THR A 9 5.095 -9.034 6.969 1.00 3.32 H new ATOM 0 HG22 THR A 9 6.333 -10.311 6.958 1.00 3.32 H new ATOM 0 HG23 THR A 9 4.633 -10.717 6.626 1.00 3.32 H new ATOM 154 N ILE A 10 6.294 -11.432 11.275 1.00 70.41 N ATOM 155 CA ILE A 10 6.534 -11.713 12.683 1.00 30.30 C ATOM 156 C ILE A 10 5.932 -10.682 13.629 1.00 4.13 C ATOM 157 O ILE A 10 6.073 -10.805 14.844 1.00 64.21 O ATOM 158 CB ILE A 10 8.027 -11.869 12.983 1.00 1.51 C ATOM 159 CG1 ILE A 10 8.855 -10.589 12.692 1.00 32.40 C ATOM 160 CG2 ILE A 10 8.561 -13.105 12.220 1.00 34.24 C ATOM 161 CD1 ILE A 10 10.306 -10.676 13.183 1.00 4.43 C ATOM 0 H ILE A 10 6.950 -10.759 10.880 1.00 70.41 H new ATOM 0 HA ILE A 10 6.023 -12.658 12.868 1.00 30.30 H new ATOM 0 HB ILE A 10 8.145 -12.026 14.055 1.00 1.51 H new ATOM 0 HG12 ILE A 10 8.853 -10.401 11.618 1.00 32.40 H new ATOM 0 HG13 ILE A 10 8.370 -9.736 13.166 1.00 32.40 H new ATOM 0 HG21 ILE A 10 9.624 -13.228 12.425 1.00 34.24 H new ATOM 0 HG22 ILE A 10 8.023 -13.995 12.547 1.00 34.24 H new ATOM 0 HG23 ILE A 10 8.412 -12.964 11.149 1.00 34.24 H new ATOM 0 HD11 ILE A 10 10.826 -9.748 12.947 1.00 4.43 H new ATOM 0 HD12 ILE A 10 10.316 -10.834 14.262 1.00 4.43 H new ATOM 0 HD13 ILE A 10 10.808 -11.509 12.690 1.00 4.43 H new ATOM 173 N ASN A 11 5.252 -9.628 13.122 1.00 44.21 N ATOM 174 CA ASN A 11 4.776 -8.556 13.977 1.00 51.14 C ATOM 175 C ASN A 11 3.479 -7.957 13.448 1.00 55.45 C ATOM 176 O ASN A 11 2.922 -8.401 12.446 1.00 24.03 O ATOM 177 CB ASN A 11 5.881 -7.464 14.187 1.00 11.32 C ATOM 178 CG ASN A 11 6.326 -6.787 12.885 1.00 73.12 C ATOM 179 OD1 ASN A 11 5.511 -6.173 12.192 1.00 13.15 O ATOM 180 ND2 ASN A 11 7.640 -6.876 12.551 1.00 70.34 N ATOM 0 H ASN A 11 5.030 -9.512 12.133 1.00 44.21 H new ATOM 0 HA ASN A 11 4.555 -8.984 14.955 1.00 51.14 H new ATOM 0 HB2 ASN A 11 5.505 -6.704 14.872 1.00 11.32 H new ATOM 0 HB3 ASN A 11 6.748 -7.922 14.664 1.00 11.32 H new ATOM 0 HD21 ASN A 11 7.982 -6.426 11.702 1.00 70.34 H new ATOM 0 HD22 ASN A 11 8.284 -7.393 13.149 1.00 70.34 H new ATOM 187 N PHE A 12 2.958 -6.934 14.159 1.00 64.11 N ATOM 188 CA PHE A 12 1.690 -6.282 13.905 1.00 71.44 C ATOM 189 C PHE A 12 1.725 -5.155 12.878 1.00 20.23 C ATOM 190 O PHE A 12 0.688 -4.568 12.576 1.00 41.53 O ATOM 191 CB PHE A 12 1.081 -5.765 15.249 1.00 72.14 C ATOM 192 CG PHE A 12 2.002 -4.822 15.993 1.00 74.51 C ATOM 193 CD1 PHE A 12 2.022 -3.447 15.698 1.00 20.12 C ATOM 194 CD2 PHE A 12 2.851 -5.310 17.003 1.00 42.23 C ATOM 195 CE1 PHE A 12 2.900 -2.586 16.368 1.00 1.15 C ATOM 196 CE2 PHE A 12 3.723 -4.450 17.682 1.00 64.41 C ATOM 197 CZ PHE A 12 3.751 -3.087 17.361 1.00 75.42 C ATOM 0 H PHE A 12 3.446 -6.534 14.960 1.00 64.11 H new ATOM 0 HA PHE A 12 1.059 -7.050 13.457 1.00 71.44 H new ATOM 0 HB2 PHE A 12 0.139 -5.256 15.043 1.00 72.14 H new ATOM 0 HB3 PHE A 12 0.850 -6.617 15.888 1.00 72.14 H new ATOM 0 HD1 PHE A 12 1.354 -3.051 14.947 1.00 20.12 H new ATOM 0 HD2 PHE A 12 2.830 -6.359 17.258 1.00 42.23 H new ATOM 0 HE1 PHE A 12 2.921 -1.535 16.119 1.00 1.15 H new ATOM 0 HE2 PHE A 12 4.373 -4.837 18.452 1.00 64.41 H new ATOM 0 HZ PHE A 12 4.428 -2.423 17.878 1.00 75.42 H new ATOM 207 N ALA A 13 2.904 -4.787 12.326 1.00 73.11 N ATOM 208 CA ALA A 13 3.047 -3.612 11.486 1.00 2.34 C ATOM 209 C ALA A 13 2.362 -3.627 10.144 1.00 24.43 C ATOM 210 O ALA A 13 1.911 -2.580 9.683 1.00 22.51 O ATOM 211 CB ALA A 13 4.524 -3.274 11.269 1.00 73.43 C ATOM 0 H ALA A 13 3.772 -5.306 12.460 1.00 73.11 H new ATOM 0 HA ALA A 13 2.523 -2.850 12.063 1.00 2.34 H new ATOM 0 HB1 ALA A 13 4.606 -2.390 10.637 1.00 73.43 H new ATOM 0 HB2 ALA A 13 4.997 -3.077 12.231 1.00 73.43 H new ATOM 0 HB3 ALA A 13 5.022 -4.114 10.785 1.00 73.43 H new ATOM 217 N LYS A 14 2.273 -4.784 9.456 1.00 4.43 N ATOM 218 CA LYS A 14 1.758 -4.835 8.104 1.00 14.54 C ATOM 219 C LYS A 14 0.300 -4.408 7.970 1.00 71.43 C ATOM 220 O LYS A 14 0.044 -3.590 7.084 1.00 62.21 O ATOM 221 CB LYS A 14 1.968 -6.236 7.477 1.00 4.21 C ATOM 222 CG LYS A 14 3.453 -6.631 7.358 1.00 24.34 C ATOM 223 CD LYS A 14 4.315 -5.634 6.563 1.00 33.23 C ATOM 224 CE LYS A 14 5.742 -6.130 6.327 1.00 24.25 C ATOM 225 NZ LYS A 14 6.512 -5.089 5.622 1.00 72.01 N ATOM 0 H LYS A 14 2.556 -5.689 9.831 1.00 4.43 H new ATOM 0 HA LYS A 14 2.340 -4.097 7.551 1.00 14.54 H new ATOM 0 HB2 LYS A 14 1.448 -6.979 8.082 1.00 4.21 H new ATOM 0 HB3 LYS A 14 1.513 -6.256 6.487 1.00 4.21 H new ATOM 0 HG2 LYS A 14 3.870 -6.735 8.360 1.00 24.34 H new ATOM 0 HG3 LYS A 14 3.519 -7.609 6.882 1.00 24.34 H new ATOM 0 HD2 LYS A 14 3.841 -5.439 5.601 1.00 33.23 H new ATOM 0 HD3 LYS A 14 4.350 -4.685 7.099 1.00 33.23 H new ATOM 0 HE2 LYS A 14 6.218 -6.368 7.278 1.00 24.25 H new ATOM 0 HE3 LYS A 14 5.727 -7.048 5.739 1.00 24.25 H new ATOM 0 HZ1 LYS A 14 7.483 -5.425 5.461 1.00 72.01 H new ATOM 0 HZ2 LYS A 14 6.061 -4.883 4.708 1.00 72.01 H new ATOM 0 HZ3 LYS A 14 6.536 -4.224 6.199 1.00 72.01 H new ATOM 239 N PRO A 15 -0.693 -4.816 8.773 1.00 52.01 N ATOM 240 CA PRO A 15 -1.986 -4.150 8.767 1.00 74.53 C ATOM 241 C PRO A 15 -1.947 -2.745 9.329 1.00 52.02 C ATOM 242 O PRO A 15 -2.788 -1.935 8.945 1.00 3.30 O ATOM 243 CB PRO A 15 -2.869 -5.054 9.629 1.00 10.41 C ATOM 244 CG PRO A 15 -1.922 -5.780 10.581 1.00 1.12 C ATOM 245 CD PRO A 15 -0.622 -5.884 9.780 1.00 23.42 C ATOM 0 HA PRO A 15 -2.352 -4.019 7.749 1.00 74.53 H new ATOM 0 HB2 PRO A 15 -3.605 -4.469 10.181 1.00 10.41 H new ATOM 0 HB3 PRO A 15 -3.422 -5.763 9.012 1.00 10.41 H new ATOM 0 HG2 PRO A 15 -1.779 -5.224 11.507 1.00 1.12 H new ATOM 0 HG3 PRO A 15 -2.304 -6.763 10.855 1.00 1.12 H new ATOM 0 HD2 PRO A 15 0.247 -5.757 10.425 1.00 23.42 H new ATOM 0 HD3 PRO A 15 -0.529 -6.862 9.308 1.00 23.42 H new ATOM 253 N MET A 16 -1.012 -2.420 10.250 1.00 31.42 N ATOM 254 CA MET A 16 -1.012 -1.145 10.931 1.00 54.24 C ATOM 255 C MET A 16 -0.614 -0.006 9.989 1.00 4.01 C ATOM 256 O MET A 16 -1.226 1.063 9.974 1.00 51.15 O ATOM 257 CB MET A 16 -0.080 -1.250 12.158 1.00 71.41 C ATOM 258 CG MET A 16 -0.195 -0.089 13.153 1.00 4.52 C ATOM 259 SD MET A 16 -1.705 -0.090 14.156 1.00 40.12 S ATOM 260 CE MET A 16 -2.058 1.669 13.915 1.00 22.12 C ATOM 0 H MET A 16 -0.251 -3.041 10.527 1.00 31.42 H new ATOM 0 HA MET A 16 -2.019 -0.905 11.272 1.00 54.24 H new ATOM 0 HB2 MET A 16 -0.295 -2.182 12.682 1.00 71.41 H new ATOM 0 HB3 MET A 16 0.951 -1.311 11.810 1.00 71.41 H new ATOM 0 HG2 MET A 16 0.667 -0.115 13.820 1.00 4.52 H new ATOM 0 HG3 MET A 16 -0.143 0.850 12.601 1.00 4.52 H new ATOM 0 HE1 MET A 16 -2.701 2.025 14.720 1.00 22.12 H new ATOM 0 HE2 MET A 16 -1.124 2.232 13.921 1.00 22.12 H new ATOM 0 HE3 MET A 16 -2.561 1.811 12.959 1.00 22.12 H new ATOM 270 N GLU A 17 0.426 -0.237 9.143 1.00 2.23 N ATOM 271 CA GLU A 17 0.887 0.696 8.128 1.00 71.11 C ATOM 272 C GLU A 17 -0.094 0.816 6.979 1.00 33.11 C ATOM 273 O GLU A 17 -0.245 1.875 6.369 1.00 34.40 O ATOM 274 CB GLU A 17 2.297 0.327 7.570 1.00 4.22 C ATOM 275 CG GLU A 17 2.400 -0.988 6.752 1.00 54.15 C ATOM 276 CD GLU A 17 3.831 -1.292 6.303 1.00 30.24 C ATOM 277 OE1 GLU A 17 4.070 -1.285 5.068 1.00 54.54 O ATOM 278 OE2 GLU A 17 4.687 -1.553 7.188 1.00 14.25 O ATOM 0 H GLU A 17 0.966 -1.102 9.164 1.00 2.23 H new ATOM 0 HA GLU A 17 0.961 1.660 8.632 1.00 71.11 H new ATOM 0 HB2 GLU A 17 2.639 1.148 6.939 1.00 4.22 H new ATOM 0 HB3 GLU A 17 2.989 0.261 8.410 1.00 4.22 H new ATOM 0 HG2 GLU A 17 2.029 -1.817 7.355 1.00 54.15 H new ATOM 0 HG3 GLU A 17 1.756 -0.918 5.876 1.00 54.15 H new ATOM 285 N ALA A 18 -0.805 -0.290 6.663 1.00 74.11 N ATOM 286 CA ALA A 18 -1.869 -0.318 5.689 1.00 60.32 C ATOM 287 C ALA A 18 -3.042 0.548 6.072 1.00 24.24 C ATOM 288 O ALA A 18 -3.534 1.304 5.242 1.00 53.31 O ATOM 289 CB ALA A 18 -2.398 -1.733 5.463 1.00 24.14 C ATOM 0 H ALA A 18 -0.635 -1.196 7.099 1.00 74.11 H new ATOM 0 HA ALA A 18 -1.417 0.070 4.776 1.00 60.32 H new ATOM 0 HB1 ALA A 18 -3.198 -1.709 4.723 1.00 24.14 H new ATOM 0 HB2 ALA A 18 -1.590 -2.370 5.104 1.00 24.14 H new ATOM 0 HB3 ALA A 18 -2.784 -2.131 6.401 1.00 24.14 H new ATOM 295 N CYS A 19 -3.488 0.517 7.348 1.00 41.35 N ATOM 296 CA CYS A 19 -4.560 1.378 7.824 1.00 23.43 C ATOM 297 C CYS A 19 -4.176 2.832 7.668 1.00 21.23 C ATOM 298 O CYS A 19 -4.939 3.596 7.095 1.00 64.01 O ATOM 299 CB CYS A 19 -4.880 1.079 9.304 1.00 70.34 C ATOM 300 SG CYS A 19 -5.677 -0.543 9.442 1.00 24.44 S ATOM 0 H CYS A 19 -3.109 -0.106 8.061 1.00 41.35 H new ATOM 0 HA CYS A 19 -5.448 1.178 7.225 1.00 23.43 H new ATOM 0 HB2 CYS A 19 -3.964 1.096 9.895 1.00 70.34 H new ATOM 0 HB3 CYS A 19 -5.534 1.852 9.708 1.00 70.34 H new ATOM 305 N LYS A 20 -2.944 3.254 8.027 1.00 43.14 N ATOM 306 CA LYS A 20 -2.590 4.667 8.007 1.00 10.53 C ATOM 307 C LYS A 20 -2.742 5.270 6.609 1.00 32.34 C ATOM 308 O LYS A 20 -3.317 6.345 6.435 1.00 2.02 O ATOM 309 CB LYS A 20 -1.147 4.841 8.563 1.00 31.54 C ATOM 310 CG LYS A 20 -0.657 6.293 8.754 1.00 73.45 C ATOM 311 CD LYS A 20 -0.097 7.027 7.521 1.00 42.54 C ATOM 312 CE LYS A 20 1.336 6.629 7.172 1.00 30.24 C ATOM 313 NZ LYS A 20 1.768 7.336 5.950 1.00 43.45 N ATOM 0 H LYS A 20 -2.193 2.634 8.330 1.00 43.14 H new ATOM 0 HA LYS A 20 -3.281 5.215 8.648 1.00 10.53 H new ATOM 0 HB2 LYS A 20 -1.087 4.331 9.524 1.00 31.54 H new ATOM 0 HB3 LYS A 20 -0.457 4.333 7.889 1.00 31.54 H new ATOM 0 HG2 LYS A 20 -1.489 6.879 9.144 1.00 73.45 H new ATOM 0 HG3 LYS A 20 0.117 6.288 9.522 1.00 73.45 H new ATOM 0 HD2 LYS A 20 -0.740 6.825 6.665 1.00 42.54 H new ATOM 0 HD3 LYS A 20 -0.134 8.102 7.700 1.00 42.54 H new ATOM 0 HE2 LYS A 20 2.003 6.873 7.999 1.00 30.24 H new ATOM 0 HE3 LYS A 20 1.397 5.551 7.021 1.00 30.24 H new ATOM 0 HZ1 LYS A 20 2.744 7.062 5.717 1.00 43.45 H new ATOM 0 HZ2 LYS A 20 1.139 7.082 5.161 1.00 43.45 H new ATOM 0 HZ3 LYS A 20 1.726 8.363 6.110 1.00 43.45 H new ATOM 327 N GLN A 21 -2.289 4.548 5.560 1.00 4.33 N ATOM 328 CA GLN A 21 -2.468 5.009 4.196 1.00 51.01 C ATOM 329 C GLN A 21 -3.862 4.808 3.633 1.00 64.01 C ATOM 330 O GLN A 21 -4.395 5.688 2.963 1.00 0.13 O ATOM 331 CB GLN A 21 -1.461 4.338 3.252 1.00 20.54 C ATOM 332 CG GLN A 21 -1.624 2.814 3.139 1.00 0.41 C ATOM 333 CD GLN A 21 -0.404 2.117 2.566 1.00 52.05 C ATOM 334 OE1 GLN A 21 -0.175 2.031 1.359 1.00 35.43 O ATOM 335 NE2 GLN A 21 0.368 1.516 3.507 1.00 10.53 N ATOM 0 H GLN A 21 -1.804 3.655 5.646 1.00 4.33 H new ATOM 0 HA GLN A 21 -2.299 6.084 4.252 1.00 51.01 H new ATOM 0 HB2 GLN A 21 -1.561 4.778 2.260 1.00 20.54 H new ATOM 0 HB3 GLN A 21 -0.452 4.560 3.598 1.00 20.54 H new ATOM 0 HG2 GLN A 21 -1.836 2.405 4.127 1.00 0.41 H new ATOM 0 HG3 GLN A 21 -2.487 2.594 2.511 1.00 0.41 H new ATOM 0 HE21 GLN A 21 0.138 1.616 4.496 1.00 10.53 H new ATOM 0 HE22 GLN A 21 1.178 0.964 3.225 1.00 10.53 H new ATOM 344 N GLU A 22 -4.492 3.647 3.926 1.00 3.34 N ATOM 345 CA GLU A 22 -5.809 3.221 3.448 1.00 44.05 C ATOM 346 C GLU A 22 -6.859 4.174 3.892 1.00 62.14 C ATOM 347 O GLU A 22 -7.785 4.515 3.159 1.00 61.23 O ATOM 348 CB GLU A 22 -6.207 1.805 3.938 1.00 14.50 C ATOM 349 CG GLU A 22 -7.547 1.296 3.343 1.00 11.30 C ATOM 350 CD GLU A 22 -7.888 -0.140 3.734 1.00 30.33 C ATOM 351 OE1 GLU A 22 -7.204 -1.068 3.224 1.00 43.32 O ATOM 352 OE2 GLU A 22 -8.856 -0.321 4.517 1.00 63.03 O ATOM 0 H GLU A 22 -4.064 2.951 4.536 1.00 3.34 H new ATOM 0 HA GLU A 22 -5.735 3.199 2.361 1.00 44.05 H new ATOM 0 HB2 GLU A 22 -5.414 1.104 3.678 1.00 14.50 H new ATOM 0 HB3 GLU A 22 -6.282 1.814 5.025 1.00 14.50 H new ATOM 0 HG2 GLU A 22 -8.352 1.953 3.671 1.00 11.30 H new ATOM 0 HG3 GLU A 22 -7.501 1.366 2.256 1.00 11.30 H new ATOM 359 N LEU A 23 -6.705 4.639 5.136 1.00 53.33 N ATOM 360 CA LEU A 23 -7.675 5.525 5.723 1.00 20.42 C ATOM 361 C LEU A 23 -7.416 6.959 5.286 1.00 14.52 C ATOM 362 O LEU A 23 -8.217 7.845 5.574 1.00 55.23 O ATOM 363 CB LEU A 23 -7.617 5.485 7.253 1.00 14.24 C ATOM 364 CG LEU A 23 -7.824 4.109 7.918 1.00 23.13 C ATOM 365 CD1 LEU A 23 -8.296 4.302 9.344 1.00 54.14 C ATOM 366 CD2 LEU A 23 -8.469 2.959 7.143 1.00 12.34 C ATOM 0 H LEU A 23 -5.917 4.409 5.741 1.00 53.33 H new ATOM 0 HA LEU A 23 -8.656 5.191 5.385 1.00 20.42 H new ATOM 0 HB2 LEU A 23 -6.648 5.872 7.567 1.00 14.24 H new ATOM 0 HB3 LEU A 23 -8.374 6.167 7.640 1.00 14.24 H new ATOM 0 HG LEU A 23 -6.829 3.664 7.912 1.00 23.13 H new ATOM 0 HD11 LEU A 23 -8.442 3.329 9.814 1.00 54.14 H new ATOM 0 HD12 LEU A 23 -7.548 4.865 9.902 1.00 54.14 H new ATOM 0 HD13 LEU A 23 -9.238 4.850 9.344 1.00 54.14 H new ATOM 0 HD21 LEU A 23 -8.526 2.077 7.781 1.00 12.34 H new ATOM 0 HD22 LEU A 23 -9.473 3.248 6.832 1.00 12.34 H new ATOM 0 HD23 LEU A 23 -7.868 2.731 6.263 1.00 12.34 H new ATOM 378 N ASN A 24 -6.276 7.198 4.580 1.00 53.11 N ATOM 379 CA ASN A 24 -5.762 8.476 4.144 1.00 64.24 C ATOM 380 C ASN A 24 -5.540 9.463 5.290 1.00 2.40 C ATOM 381 O ASN A 24 -5.894 10.638 5.205 1.00 21.33 O ATOM 382 CB ASN A 24 -6.697 9.091 3.074 1.00 23.22 C ATOM 383 CG ASN A 24 -6.842 8.365 1.728 1.00 73.35 C ATOM 384 OD1 ASN A 24 -7.771 8.685 0.981 1.00 53.32 O ATOM 385 ND2 ASN A 24 -5.950 7.408 1.375 1.00 45.03 N ATOM 0 H ASN A 24 -5.668 6.431 4.293 1.00 53.11 H new ATOM 0 HA ASN A 24 -4.781 8.285 3.710 1.00 64.24 H new ATOM 0 HB2 ASN A 24 -7.691 9.179 3.513 1.00 23.22 H new ATOM 0 HB3 ASN A 24 -6.348 10.103 2.870 1.00 23.22 H new ATOM 0 HD21 ASN A 24 -6.038 6.935 0.475 1.00 45.03 H new ATOM 0 HD22 ASN A 24 -5.190 7.160 2.009 1.00 45.03 H new ATOM 392 N VAL A 25 -4.927 8.993 6.398 1.00 11.50 N ATOM 393 CA VAL A 25 -4.759 9.759 7.623 1.00 41.10 C ATOM 394 C VAL A 25 -3.279 9.952 7.901 1.00 1.04 C ATOM 395 O VAL A 25 -2.456 9.202 7.376 1.00 23.41 O ATOM 396 CB VAL A 25 -5.448 9.117 8.830 1.00 13.02 C ATOM 397 CG1 VAL A 25 -6.971 9.086 8.603 1.00 32.30 C ATOM 398 CG2 VAL A 25 -4.897 7.703 9.102 1.00 51.02 C ATOM 0 H VAL A 25 -4.533 8.054 6.453 1.00 11.50 H new ATOM 0 HA VAL A 25 -5.242 10.724 7.471 1.00 41.10 H new ATOM 0 HB VAL A 25 -5.237 9.720 9.713 1.00 13.02 H new ATOM 0 HG11 VAL A 25 -7.458 8.628 9.464 1.00 32.30 H new ATOM 0 HG12 VAL A 25 -7.341 10.103 8.475 1.00 32.30 H new ATOM 0 HG13 VAL A 25 -7.194 8.504 7.709 1.00 32.30 H new ATOM 0 HG21 VAL A 25 -5.406 7.274 9.965 1.00 51.02 H new ATOM 0 HG22 VAL A 25 -5.067 7.072 8.230 1.00 51.02 H new ATOM 0 HG23 VAL A 25 -3.828 7.762 9.304 1.00 51.02 H new ATOM 408 N PRO A 26 -2.852 10.944 8.676 1.00 73.13 N ATOM 409 CA PRO A 26 -1.450 11.106 9.028 1.00 50.23 C ATOM 410 C PRO A 26 -0.969 10.109 10.068 1.00 41.22 C ATOM 411 O PRO A 26 -1.749 9.459 10.764 1.00 15.14 O ATOM 412 CB PRO A 26 -1.379 12.548 9.563 1.00 2.21 C ATOM 413 CG PRO A 26 -2.769 12.793 10.148 1.00 44.51 C ATOM 414 CD PRO A 26 -3.673 12.057 9.164 1.00 74.44 C ATOM 0 HA PRO A 26 -0.799 10.923 8.173 1.00 50.23 H new ATOM 0 HB2 PRO A 26 -0.602 12.655 10.320 1.00 2.21 H new ATOM 0 HB3 PRO A 26 -1.149 13.258 8.768 1.00 2.21 H new ATOM 0 HG2 PRO A 26 -2.860 12.395 11.159 1.00 44.51 H new ATOM 0 HG3 PRO A 26 -3.006 13.856 10.201 1.00 44.51 H new ATOM 0 HD2 PRO A 26 -4.580 11.698 9.650 1.00 74.44 H new ATOM 0 HD3 PRO A 26 -3.985 12.708 8.348 1.00 74.44 H new ATOM 422 N ASP A 27 0.372 10.032 10.202 1.00 61.22 N ATOM 423 CA ASP A 27 1.138 9.212 11.120 1.00 64.13 C ATOM 424 C ASP A 27 0.848 9.630 12.555 1.00 60.02 C ATOM 425 O ASP A 27 0.935 8.842 13.490 1.00 62.13 O ATOM 426 CB ASP A 27 2.646 9.338 10.763 1.00 31.15 C ATOM 427 CG ASP A 27 3.529 8.354 11.531 1.00 40.34 C ATOM 428 OD1 ASP A 27 4.416 8.832 12.284 1.00 25.24 O ATOM 429 OD2 ASP A 27 3.333 7.126 11.344 1.00 11.40 O ATOM 0 H ASP A 27 0.984 10.597 9.613 1.00 61.22 H new ATOM 0 HA ASP A 27 0.852 8.164 11.029 1.00 64.13 H new ATOM 0 HB2 ASP A 27 2.775 9.174 9.693 1.00 31.15 H new ATOM 0 HB3 ASP A 27 2.979 10.355 10.972 1.00 31.15 H new ATOM 434 N ALA A 28 0.457 10.905 12.731 1.00 54.15 N ATOM 435 CA ALA A 28 0.012 11.496 13.964 1.00 44.15 C ATOM 436 C ALA A 28 -1.212 10.825 14.559 1.00 4.23 C ATOM 437 O ALA A 28 -1.363 10.765 15.776 1.00 24.42 O ATOM 438 CB ALA A 28 -0.308 12.978 13.731 1.00 25.03 C ATOM 0 H ALA A 28 0.450 11.572 11.960 1.00 54.15 H new ATOM 0 HA ALA A 28 0.827 11.366 14.676 1.00 44.15 H new ATOM 0 HB1 ALA A 28 -0.646 13.428 14.664 1.00 25.03 H new ATOM 0 HB2 ALA A 28 0.587 13.493 13.382 1.00 25.03 H new ATOM 0 HB3 ALA A 28 -1.093 13.067 12.980 1.00 25.03 H new ATOM 444 N VAL A 29 -2.147 10.314 13.734 1.00 10.03 N ATOM 445 CA VAL A 29 -3.378 9.817 14.319 1.00 72.12 C ATOM 446 C VAL A 29 -3.367 8.310 14.467 1.00 24.00 C ATOM 447 O VAL A 29 -4.058 7.769 15.324 1.00 60.10 O ATOM 448 CB VAL A 29 -4.603 10.261 13.567 1.00 22.53 C ATOM 449 CG1 VAL A 29 -4.603 11.791 13.350 1.00 22.00 C ATOM 450 CG2 VAL A 29 -4.929 9.415 12.336 1.00 13.43 C ATOM 0 H VAL A 29 -2.071 10.242 12.719 1.00 10.03 H new ATOM 0 HA VAL A 29 -3.429 10.259 15.314 1.00 72.12 H new ATOM 0 HB VAL A 29 -5.463 10.058 14.205 1.00 22.53 H new ATOM 0 HG11 VAL A 29 -5.501 12.081 12.804 1.00 22.00 H new ATOM 0 HG12 VAL A 29 -4.587 12.296 14.316 1.00 22.00 H new ATOM 0 HG13 VAL A 29 -3.721 12.077 12.777 1.00 22.00 H new ATOM 0 HG21 VAL A 29 -5.826 9.804 11.854 1.00 13.43 H new ATOM 0 HG22 VAL A 29 -4.095 9.455 11.636 1.00 13.43 H new ATOM 0 HG23 VAL A 29 -5.099 8.382 12.639 1.00 13.43 H new ATOM 460 N MET A 30 -2.548 7.568 13.689 1.00 24.12 N ATOM 461 CA MET A 30 -2.345 6.148 13.961 1.00 22.21 C ATOM 462 C MET A 30 -1.585 5.942 15.272 1.00 50.04 C ATOM 463 O MET A 30 -1.828 4.988 16.007 1.00 22.41 O ATOM 464 CB MET A 30 -1.630 5.425 12.785 1.00 3.14 C ATOM 465 CG MET A 30 -0.143 5.774 12.590 1.00 4.13 C ATOM 466 SD MET A 30 1.041 4.680 13.440 1.00 12.25 S ATOM 467 CE MET A 30 1.085 3.431 12.122 1.00 21.11 C ATOM 0 H MET A 30 -2.032 7.929 12.887 1.00 24.12 H new ATOM 0 HA MET A 30 -3.332 5.698 14.064 1.00 22.21 H new ATOM 0 HB2 MET A 30 -1.714 4.349 12.939 1.00 3.14 H new ATOM 0 HB3 MET A 30 -2.162 5.657 11.863 1.00 3.14 H new ATOM 0 HG2 MET A 30 0.078 5.759 11.523 1.00 4.13 H new ATOM 0 HG3 MET A 30 0.020 6.795 12.936 1.00 4.13 H new ATOM 0 HE1 MET A 30 1.720 2.600 12.429 1.00 21.11 H new ATOM 0 HE2 MET A 30 0.076 3.066 11.933 1.00 21.11 H new ATOM 0 HE3 MET A 30 1.486 3.877 11.212 1.00 21.11 H new ATOM 477 N GLN A 31 -0.677 6.888 15.628 1.00 5.04 N ATOM 478 CA GLN A 31 0.077 6.868 16.864 1.00 2.12 C ATOM 479 C GLN A 31 -0.746 7.286 18.054 1.00 74.41 C ATOM 480 O GLN A 31 -0.418 6.968 19.196 1.00 3.44 O ATOM 481 CB GLN A 31 1.401 7.672 16.755 1.00 11.44 C ATOM 482 CG GLN A 31 1.392 9.206 16.613 1.00 24.43 C ATOM 483 CD GLN A 31 1.269 9.951 17.936 1.00 61.23 C ATOM 484 OE1 GLN A 31 2.187 9.983 18.757 1.00 12.32 O ATOM 485 NE2 GLN A 31 0.077 10.565 18.129 1.00 40.32 N ATOM 0 H GLN A 31 -0.460 7.692 15.038 1.00 5.04 H new ATOM 0 HA GLN A 31 0.353 5.828 17.036 1.00 2.12 H new ATOM 0 HB2 GLN A 31 1.990 7.438 17.642 1.00 11.44 H new ATOM 0 HB3 GLN A 31 1.945 7.276 15.897 1.00 11.44 H new ATOM 0 HG2 GLN A 31 2.310 9.520 16.115 1.00 24.43 H new ATOM 0 HG3 GLN A 31 0.564 9.496 15.966 1.00 24.43 H new ATOM 0 HE21 GLN A 31 -0.649 10.506 17.415 1.00 40.32 H new ATOM 0 HE22 GLN A 31 -0.095 11.087 18.989 1.00 40.32 H new ATOM 494 N ASP A 32 -1.904 7.940 17.812 1.00 22.24 N ATOM 495 CA ASP A 32 -2.890 8.199 18.849 1.00 44.44 C ATOM 496 C ASP A 32 -3.421 6.914 19.492 1.00 52.33 C ATOM 497 O ASP A 32 -3.613 6.865 20.701 1.00 54.11 O ATOM 498 CB ASP A 32 -4.092 9.012 18.315 1.00 22.43 C ATOM 499 CG ASP A 32 -3.836 10.493 18.067 1.00 70.52 C ATOM 500 OD1 ASP A 32 -2.832 11.038 18.588 1.00 63.13 O ATOM 501 OD2 ASP A 32 -4.710 11.104 17.391 1.00 74.25 O ATOM 0 H ASP A 32 -2.167 8.296 16.893 1.00 22.24 H new ATOM 0 HA ASP A 32 -2.362 8.780 19.605 1.00 44.44 H new ATOM 0 HB2 ASP A 32 -4.426 8.559 17.381 1.00 22.43 H new ATOM 0 HB3 ASP A 32 -4.913 8.919 19.026 1.00 22.43 H new ATOM 506 N PHE A 33 -3.624 5.839 18.702 1.00 54.42 N ATOM 507 CA PHE A 33 -3.912 4.492 19.192 1.00 62.12 C ATOM 508 C PHE A 33 -2.825 3.896 20.078 1.00 21.31 C ATOM 509 O PHE A 33 -3.110 3.264 21.088 1.00 2.31 O ATOM 510 CB PHE A 33 -4.298 3.592 17.985 1.00 44.22 C ATOM 511 CG PHE A 33 -4.336 2.099 18.214 1.00 22.12 C ATOM 512 CD1 PHE A 33 -3.382 1.292 17.567 1.00 41.53 C ATOM 513 CD2 PHE A 33 -5.265 1.489 19.069 1.00 62.20 C ATOM 514 CE1 PHE A 33 -3.399 -0.100 17.714 1.00 4.34 C ATOM 515 CE2 PHE A 33 -5.306 0.093 19.194 1.00 13.51 C ATOM 516 CZ PHE A 33 -4.373 -0.702 18.518 1.00 41.31 C ATOM 0 H PHE A 33 -3.590 5.894 17.684 1.00 54.42 H new ATOM 0 HA PHE A 33 -4.761 4.555 19.872 1.00 62.12 H new ATOM 0 HB2 PHE A 33 -5.282 3.904 17.634 1.00 44.22 H new ATOM 0 HB3 PHE A 33 -3.593 3.791 17.178 1.00 44.22 H new ATOM 0 HD1 PHE A 33 -2.626 1.753 16.948 1.00 41.53 H new ATOM 0 HD2 PHE A 33 -5.954 2.099 19.635 1.00 62.20 H new ATOM 0 HE1 PHE A 33 -2.663 -0.707 17.208 1.00 4.34 H new ATOM 0 HE2 PHE A 33 -6.060 -0.370 19.814 1.00 13.51 H new ATOM 0 HZ PHE A 33 -4.405 -1.777 18.617 1.00 41.31 H new ATOM 526 N PHE A 34 -1.541 4.070 19.739 1.00 21.41 N ATOM 527 CA PHE A 34 -0.447 3.621 20.597 1.00 73.44 C ATOM 528 C PHE A 34 -0.362 4.383 21.920 1.00 74.41 C ATOM 529 O PHE A 34 -0.175 3.788 22.980 1.00 20.10 O ATOM 530 CB PHE A 34 0.914 3.671 19.856 1.00 11.14 C ATOM 531 CG PHE A 34 0.935 2.576 18.822 1.00 23.40 C ATOM 532 CD1 PHE A 34 1.212 1.255 19.220 1.00 1.24 C ATOM 533 CD2 PHE A 34 0.638 2.828 17.472 1.00 1.43 C ATOM 534 CE1 PHE A 34 1.185 0.206 18.292 1.00 31.10 C ATOM 535 CE2 PHE A 34 0.634 1.786 16.538 1.00 21.01 C ATOM 536 CZ PHE A 34 0.894 0.474 16.949 1.00 32.34 C ATOM 0 H PHE A 34 -1.238 4.519 18.875 1.00 21.41 H new ATOM 0 HA PHE A 34 -0.675 2.584 20.844 1.00 73.44 H new ATOM 0 HB2 PHE A 34 1.052 4.643 19.382 1.00 11.14 H new ATOM 0 HB3 PHE A 34 1.735 3.542 20.562 1.00 11.14 H new ATOM 0 HD1 PHE A 34 1.448 1.047 20.253 1.00 1.24 H new ATOM 0 HD2 PHE A 34 0.411 3.834 17.153 1.00 1.43 H new ATOM 0 HE1 PHE A 34 1.388 -0.806 18.611 1.00 31.10 H new ATOM 0 HE2 PHE A 34 0.430 1.995 15.498 1.00 21.01 H new ATOM 0 HZ PHE A 34 0.870 -0.332 16.230 1.00 32.34 H new ATOM 546 N ASN A 35 -0.555 5.722 21.889 1.00 75.41 N ATOM 547 CA ASN A 35 -0.683 6.594 23.046 1.00 10.05 C ATOM 548 C ASN A 35 -1.916 6.332 23.894 1.00 52.22 C ATOM 549 O ASN A 35 -1.919 6.614 25.087 1.00 3.02 O ATOM 550 CB ASN A 35 -0.684 8.072 22.607 1.00 4.31 C ATOM 551 CG ASN A 35 0.732 8.524 22.253 1.00 0.22 C ATOM 552 OD1 ASN A 35 1.528 8.848 23.137 1.00 60.42 O ATOM 553 ND2 ASN A 35 1.051 8.548 20.939 1.00 42.35 N ATOM 0 H ASN A 35 -0.627 6.233 21.009 1.00 75.41 H new ATOM 0 HA ASN A 35 0.183 6.371 23.670 1.00 10.05 H new ATOM 0 HB2 ASN A 35 -1.340 8.202 21.746 1.00 4.31 H new ATOM 0 HB3 ASN A 35 -1.082 8.695 23.408 1.00 4.31 H new ATOM 0 HD21 ASN A 35 1.982 8.843 20.646 1.00 42.35 H new ATOM 0 HD22 ASN A 35 0.360 8.271 20.241 1.00 42.35 H new ATOM 560 N PHE A 36 -2.989 5.768 23.305 1.00 62.54 N ATOM 561 CA PHE A 36 -4.270 5.475 23.927 1.00 51.25 C ATOM 562 C PHE A 36 -4.117 4.570 25.136 1.00 71.13 C ATOM 563 O PHE A 36 -4.796 4.746 26.142 1.00 32.11 O ATOM 564 CB PHE A 36 -5.206 4.830 22.863 1.00 21.21 C ATOM 565 CG PHE A 36 -6.592 4.529 23.336 1.00 3.23 C ATOM 566 CD1 PHE A 36 -6.910 3.276 23.886 1.00 43.23 C ATOM 567 CD2 PHE A 36 -7.593 5.498 23.214 1.00 54.23 C ATOM 568 CE1 PHE A 36 -8.213 3.003 24.314 1.00 3.43 C ATOM 569 CE2 PHE A 36 -8.889 5.242 23.667 1.00 33.34 C ATOM 570 CZ PHE A 36 -9.194 3.989 24.201 1.00 71.33 C ATOM 0 H PHE A 36 -2.970 5.493 22.323 1.00 62.54 H new ATOM 0 HA PHE A 36 -4.708 6.405 24.289 1.00 51.25 H new ATOM 0 HB2 PHE A 36 -5.269 5.498 22.004 1.00 21.21 H new ATOM 0 HB3 PHE A 36 -4.749 3.904 22.513 1.00 21.21 H new ATOM 0 HD1 PHE A 36 -6.144 2.520 23.979 1.00 43.23 H new ATOM 0 HD2 PHE A 36 -7.362 6.453 22.765 1.00 54.23 H new ATOM 0 HE1 PHE A 36 -8.458 2.036 24.729 1.00 3.43 H new ATOM 0 HE2 PHE A 36 -9.649 6.007 23.605 1.00 33.34 H new ATOM 0 HZ PHE A 36 -10.201 3.780 24.531 1.00 71.33 H new ATOM 580 N TRP A 37 -3.227 3.561 25.049 1.00 33.31 N ATOM 581 CA TRP A 37 -3.033 2.575 26.092 1.00 1.45 C ATOM 582 C TRP A 37 -2.176 3.090 27.238 1.00 54.40 C ATOM 583 O TRP A 37 -2.080 2.447 28.282 1.00 5.34 O ATOM 584 CB TRP A 37 -2.389 1.302 25.508 1.00 74.12 C ATOM 585 CG TRP A 37 -3.214 0.720 24.378 1.00 63.15 C ATOM 586 CD1 TRP A 37 -2.863 0.698 23.059 1.00 2.22 C ATOM 587 CD2 TRP A 37 -4.596 0.315 24.440 1.00 24.14 C ATOM 588 NE1 TRP A 37 -3.911 0.243 22.291 1.00 63.11 N ATOM 589 CE2 TRP A 37 -4.993 0.027 23.116 1.00 1.34 C ATOM 590 CE3 TRP A 37 -5.499 0.209 25.501 1.00 65.40 C ATOM 591 CZ2 TRP A 37 -6.294 -0.360 22.834 1.00 1.24 C ATOM 592 CZ3 TRP A 37 -6.822 -0.156 25.205 1.00 74.32 C ATOM 593 CH2 TRP A 37 -7.219 -0.420 23.885 1.00 40.21 C ATOM 0 H TRP A 37 -2.624 3.420 24.238 1.00 33.31 H new ATOM 0 HA TRP A 37 -4.020 2.349 26.495 1.00 1.45 H new ATOM 0 HB2 TRP A 37 -1.388 1.535 25.144 1.00 74.12 H new ATOM 0 HB3 TRP A 37 -2.276 0.558 26.296 1.00 74.12 H new ATOM 0 HD1 TRP A 37 -1.899 0.995 22.673 1.00 2.22 H new ATOM 0 HE1 TRP A 37 -3.890 0.092 21.283 1.00 63.11 H new ATOM 0 HE3 TRP A 37 -5.189 0.402 26.517 1.00 65.40 H new ATOM 0 HZ2 TRP A 37 -6.588 -0.610 21.825 1.00 1.24 H new ATOM 0 HZ3 TRP A 37 -7.544 -0.235 26.004 1.00 74.32 H new ATOM 0 HH2 TRP A 37 -8.248 -0.672 23.677 1.00 40.21 H new ATOM 604 N LYS A 38 -1.545 4.281 27.084 1.00 40.51 N ATOM 605 CA LYS A 38 -0.853 4.969 28.170 1.00 64.51 C ATOM 606 C LYS A 38 -1.853 5.347 29.264 1.00 4.32 C ATOM 607 O LYS A 38 -2.950 5.835 28.986 1.00 71.33 O ATOM 608 CB LYS A 38 -0.131 6.248 27.664 1.00 1.22 C ATOM 609 CG LYS A 38 0.713 7.021 28.700 1.00 1.32 C ATOM 610 CD LYS A 38 1.931 6.251 29.256 1.00 74.11 C ATOM 611 CE LYS A 38 3.003 5.859 28.229 1.00 20.55 C ATOM 612 NZ LYS A 38 3.616 7.061 27.628 1.00 63.42 N ATOM 0 H LYS A 38 -1.510 4.781 26.196 1.00 40.51 H new ATOM 0 HA LYS A 38 -0.101 4.290 28.572 1.00 64.51 H new ATOM 0 HB2 LYS A 38 0.520 5.967 26.836 1.00 1.22 H new ATOM 0 HB3 LYS A 38 -0.883 6.927 27.262 1.00 1.22 H new ATOM 0 HG2 LYS A 38 1.065 7.946 28.242 1.00 1.32 H new ATOM 0 HG3 LYS A 38 0.069 7.303 29.533 1.00 1.32 H new ATOM 0 HD2 LYS A 38 2.401 6.861 30.028 1.00 74.11 H new ATOM 0 HD3 LYS A 38 1.572 5.344 29.742 1.00 74.11 H new ATOM 0 HE2 LYS A 38 3.772 5.255 28.711 1.00 20.55 H new ATOM 0 HE3 LYS A 38 2.557 5.243 27.448 1.00 20.55 H new ATOM 0 HZ1 LYS A 38 4.361 6.774 26.962 1.00 63.42 H new ATOM 0 HZ2 LYS A 38 2.889 7.605 27.121 1.00 63.42 H new ATOM 0 HZ3 LYS A 38 4.030 7.651 28.378 1.00 63.42 H new ATOM 626 N GLU A 39 -1.530 5.084 30.552 1.00 54.34 N ATOM 627 CA GLU A 39 -2.527 5.080 31.607 1.00 25.40 C ATOM 628 C GLU A 39 -3.137 6.454 31.862 1.00 12.22 C ATOM 629 O GLU A 39 -2.462 7.409 32.241 1.00 43.13 O ATOM 630 CB GLU A 39 -1.946 4.535 32.945 1.00 21.13 C ATOM 631 CG GLU A 39 -1.554 3.027 32.942 1.00 14.10 C ATOM 632 CD GLU A 39 -0.192 2.678 32.324 1.00 51.44 C ATOM 633 OE1 GLU A 39 0.483 3.586 31.772 1.00 64.23 O ATOM 634 OE2 GLU A 39 0.176 1.478 32.412 1.00 52.32 O ATOM 0 H GLU A 39 -0.583 4.874 30.868 1.00 54.34 H new ATOM 0 HA GLU A 39 -3.316 4.418 31.249 1.00 25.40 H new ATOM 0 HB2 GLU A 39 -1.064 5.121 33.203 1.00 21.13 H new ATOM 0 HB3 GLU A 39 -2.680 4.700 33.734 1.00 21.13 H new ATOM 0 HG2 GLU A 39 -1.564 2.669 33.972 1.00 14.10 H new ATOM 0 HG3 GLU A 39 -2.325 2.474 32.405 1.00 14.10 H new ATOM 641 N GLY A 40 -4.472 6.558 31.648 1.00 34.45 N ATOM 642 CA GLY A 40 -5.250 7.769 31.857 1.00 32.40 C ATOM 643 C GLY A 40 -5.189 8.775 30.733 1.00 41.21 C ATOM 644 O GLY A 40 -5.835 9.816 30.820 1.00 62.24 O ATOM 0 H GLY A 40 -5.035 5.775 31.318 1.00 34.45 H new ATOM 0 HA2 GLY A 40 -6.291 7.489 32.017 1.00 32.40 H new ATOM 0 HA3 GLY A 40 -4.905 8.250 32.772 1.00 32.40 H new ATOM 648 N TYR A 41 -4.401 8.525 29.660 1.00 54.32 N ATOM 649 CA TYR A 41 -4.089 9.519 28.652 1.00 43.53 C ATOM 650 C TYR A 41 -5.294 9.904 27.789 1.00 14.01 C ATOM 651 O TYR A 41 -6.090 9.072 27.352 1.00 21.13 O ATOM 652 CB TYR A 41 -2.897 9.028 27.791 1.00 50.44 C ATOM 653 CG TYR A 41 -2.314 10.122 26.946 1.00 33.44 C ATOM 654 CD1 TYR A 41 -2.334 10.090 25.545 1.00 52.13 C ATOM 655 CD2 TYR A 41 -1.718 11.209 27.602 1.00 34.15 C ATOM 656 CE1 TYR A 41 -1.776 11.146 24.808 1.00 72.00 C ATOM 657 CE2 TYR A 41 -1.163 12.267 26.869 1.00 34.05 C ATOM 658 CZ TYR A 41 -1.195 12.236 25.469 1.00 25.21 C ATOM 659 OH TYR A 41 -0.639 13.293 24.720 1.00 51.42 O ATOM 0 H TYR A 41 -3.970 7.617 29.485 1.00 54.32 H new ATOM 0 HA TYR A 41 -3.804 10.435 29.169 1.00 43.53 H new ATOM 0 HB2 TYR A 41 -2.123 8.625 28.444 1.00 50.44 H new ATOM 0 HB3 TYR A 41 -3.228 8.213 27.148 1.00 50.44 H new ATOM 0 HD1 TYR A 41 -2.780 9.251 25.031 1.00 52.13 H new ATOM 0 HD2 TYR A 41 -1.686 11.231 28.681 1.00 34.15 H new ATOM 0 HE1 TYR A 41 -1.795 11.118 23.729 1.00 72.00 H new ATOM 0 HE2 TYR A 41 -0.712 13.104 27.382 1.00 34.05 H new ATOM 0 HH TYR A 41 -0.278 13.971 25.329 1.00 51.42 H new ATOM 669 N GLN A 42 -5.473 11.221 27.553 1.00 74.33 N ATOM 670 CA GLN A 42 -6.720 11.768 27.051 1.00 10.13 C ATOM 671 C GLN A 42 -6.813 11.800 25.545 1.00 1.14 C ATOM 672 O GLN A 42 -6.669 12.835 24.898 1.00 4.43 O ATOM 673 CB GLN A 42 -7.021 13.191 27.587 1.00 12.32 C ATOM 674 CG GLN A 42 -7.183 13.218 29.121 1.00 22.14 C ATOM 675 CD GLN A 42 -5.868 13.535 29.840 1.00 74.34 C ATOM 676 OE1 GLN A 42 -5.373 14.663 29.783 1.00 13.31 O ATOM 677 NE2 GLN A 42 -5.282 12.530 30.537 1.00 72.15 N ATOM 0 H GLN A 42 -4.749 11.922 27.710 1.00 74.33 H new ATOM 0 HA GLN A 42 -7.468 11.071 27.430 1.00 10.13 H new ATOM 0 HB2 GLN A 42 -6.214 13.864 27.297 1.00 12.32 H new ATOM 0 HB3 GLN A 42 -7.932 13.567 27.121 1.00 12.32 H new ATOM 0 HG2 GLN A 42 -7.931 13.963 29.392 1.00 22.14 H new ATOM 0 HG3 GLN A 42 -7.557 12.252 29.462 1.00 22.14 H new ATOM 0 HE21 GLN A 42 -5.717 11.608 30.565 1.00 72.15 H new ATOM 0 HE22 GLN A 42 -4.407 12.696 31.033 1.00 72.15 H new ATOM 686 N ILE A 43 -7.112 10.632 24.955 1.00 43.45 N ATOM 687 CA ILE A 43 -7.385 10.522 23.533 1.00 54.31 C ATOM 688 C ILE A 43 -8.868 10.740 23.278 1.00 34.33 C ATOM 689 O ILE A 43 -9.727 10.012 23.771 1.00 31.25 O ATOM 690 CB ILE A 43 -6.975 9.175 22.991 1.00 71.12 C ATOM 691 CG1 ILE A 43 -5.480 8.898 23.256 1.00 22.34 C ATOM 692 CG2 ILE A 43 -7.279 9.040 21.475 1.00 62.24 C ATOM 693 CD1 ILE A 43 -4.493 9.855 22.583 1.00 10.01 C ATOM 0 H ILE A 43 -7.169 9.746 25.458 1.00 43.45 H new ATOM 0 HA ILE A 43 -6.800 11.286 23.020 1.00 54.31 H new ATOM 0 HB ILE A 43 -7.570 8.431 23.521 1.00 71.12 H new ATOM 0 HG12 ILE A 43 -5.310 8.929 24.332 1.00 22.34 H new ATOM 0 HG13 ILE A 43 -5.254 7.884 22.927 1.00 22.34 H new ATOM 0 HG21 ILE A 43 -6.968 8.055 21.128 1.00 62.24 H new ATOM 0 HG22 ILE A 43 -8.349 9.163 21.306 1.00 62.24 H new ATOM 0 HG23 ILE A 43 -6.734 9.807 20.925 1.00 62.24 H new ATOM 0 HD11 ILE A 43 -3.474 9.565 22.839 1.00 10.01 H new ATOM 0 HD12 ILE A 43 -4.623 9.810 21.502 1.00 10.01 H new ATOM 0 HD13 ILE A 43 -4.679 10.872 22.929 1.00 10.01 H new ATOM 705 N THR A 44 -9.186 11.785 22.488 1.00 32.15 N ATOM 706 CA THR A 44 -10.545 12.231 22.194 1.00 33.23 C ATOM 707 C THR A 44 -10.820 12.216 20.705 1.00 42.11 C ATOM 708 O THR A 44 -11.915 12.549 20.259 1.00 64.51 O ATOM 709 CB THR A 44 -10.839 13.631 22.734 1.00 35.44 C ATOM 710 OG1 THR A 44 -9.945 14.609 22.209 1.00 51.11 O ATOM 711 CG2 THR A 44 -10.718 13.650 24.269 1.00 30.24 C ATOM 0 H THR A 44 -8.475 12.353 22.027 1.00 32.15 H new ATOM 0 HA THR A 44 -11.202 11.523 22.700 1.00 33.23 H new ATOM 0 HB THR A 44 -11.854 13.876 22.423 1.00 35.44 H new ATOM 0 HG1 THR A 44 -10.169 15.489 22.578 1.00 51.11 H new ATOM 0 HG21 THR A 44 -10.930 14.653 24.638 1.00 30.24 H new ATOM 0 HG22 THR A 44 -11.431 12.947 24.699 1.00 30.24 H new ATOM 0 HG23 THR A 44 -9.707 13.363 24.558 1.00 30.24 H new ATOM 719 N ASN A 45 -9.803 11.871 19.890 1.00 32.14 N ATOM 720 CA ASN A 45 -9.755 12.176 18.485 1.00 3.42 C ATOM 721 C ASN A 45 -10.469 11.140 17.648 1.00 34.44 C ATOM 722 O ASN A 45 -10.214 9.944 17.751 1.00 53.31 O ATOM 723 CB ASN A 45 -8.274 12.333 18.060 1.00 0.41 C ATOM 724 CG ASN A 45 -8.160 12.903 16.649 1.00 60.02 C ATOM 725 OD1 ASN A 45 -9.004 13.680 16.198 1.00 71.40 O ATOM 726 ND2 ASN A 45 -7.098 12.480 15.926 1.00 65.02 N ATOM 0 H ASN A 45 -8.983 11.361 20.219 1.00 32.14 H new ATOM 0 HA ASN A 45 -10.285 13.112 18.310 1.00 3.42 H new ATOM 0 HB2 ASN A 45 -7.759 12.989 18.762 1.00 0.41 H new ATOM 0 HB3 ASN A 45 -7.776 11.365 18.105 1.00 0.41 H new ATOM 0 HD21 ASN A 45 -6.972 12.805 14.967 1.00 65.02 H new ATOM 0 HD22 ASN A 45 -6.423 11.836 16.339 1.00 65.02 H new ATOM 733 N ARG A 46 -11.335 11.610 16.727 1.00 63.12 N ATOM 734 CA ARG A 46 -12.209 10.828 15.876 1.00 25.42 C ATOM 735 C ARG A 46 -11.460 9.856 14.986 1.00 42.31 C ATOM 736 O ARG A 46 -11.906 8.739 14.740 1.00 22.33 O ATOM 737 CB ARG A 46 -13.063 11.803 15.029 1.00 31.04 C ATOM 738 CG ARG A 46 -12.240 12.679 14.063 1.00 5.14 C ATOM 739 CD ARG A 46 -13.065 13.817 13.460 1.00 12.12 C ATOM 740 NE ARG A 46 -12.149 14.655 12.618 1.00 25.52 N ATOM 741 CZ ARG A 46 -12.562 15.815 12.027 1.00 53.55 C ATOM 742 NH1 ARG A 46 -13.859 16.218 12.140 1.00 22.43 N ATOM 743 NH2 ARG A 46 -11.662 16.566 11.330 1.00 13.12 N ATOM 0 H ARG A 46 -11.437 12.611 16.559 1.00 63.12 H new ATOM 0 HA ARG A 46 -12.845 10.213 16.513 1.00 25.42 H new ATOM 0 HB2 ARG A 46 -13.789 11.228 14.454 1.00 31.04 H new ATOM 0 HB3 ARG A 46 -13.628 12.451 15.699 1.00 31.04 H new ATOM 0 HG2 ARG A 46 -11.385 13.096 14.595 1.00 5.14 H new ATOM 0 HG3 ARG A 46 -11.844 12.057 13.261 1.00 5.14 H new ATOM 0 HD2 ARG A 46 -13.880 13.419 12.856 1.00 12.12 H new ATOM 0 HD3 ARG A 46 -13.517 14.420 14.248 1.00 12.12 H new ATOM 0 HE ARG A 46 -11.186 14.348 12.482 1.00 25.52 H new ATOM 0 HH11 ARG A 46 -14.525 15.653 12.667 1.00 22.43 H new ATOM 0 HH12 ARG A 46 -14.164 17.085 11.697 1.00 22.43 H new ATOM 0 HH21 ARG A 46 -10.692 16.260 11.254 1.00 13.12 H new ATOM 0 HH22 ARG A 46 -11.959 17.434 10.884 1.00 13.12 H new ATOM 757 N GLU A 47 -10.241 10.232 14.553 1.00 1.12 N ATOM 758 CA GLU A 47 -9.318 9.367 13.872 1.00 2.51 C ATOM 759 C GLU A 47 -8.821 8.192 14.648 1.00 54.11 C ATOM 760 O GLU A 47 -8.553 7.156 14.047 1.00 44.24 O ATOM 761 CB GLU A 47 -8.115 10.144 13.332 1.00 42.31 C ATOM 762 CG GLU A 47 -8.403 10.876 12.008 1.00 41.05 C ATOM 763 CD GLU A 47 -7.521 12.082 11.707 1.00 74.32 C ATOM 764 OE1 GLU A 47 -7.490 13.010 12.558 1.00 13.30 O ATOM 765 OE2 GLU A 47 -6.884 12.092 10.622 1.00 61.45 O ATOM 0 H GLU A 47 -9.882 11.178 14.682 1.00 1.12 H new ATOM 0 HA GLU A 47 -9.921 8.958 13.061 1.00 2.51 H new ATOM 0 HB2 GLU A 47 -7.797 10.871 14.079 1.00 42.31 H new ATOM 0 HB3 GLU A 47 -7.284 9.455 13.184 1.00 42.31 H new ATOM 0 HG2 GLU A 47 -8.300 10.162 11.191 1.00 41.05 H new ATOM 0 HG3 GLU A 47 -9.443 11.204 12.015 1.00 41.05 H new ATOM 772 N ALA A 48 -8.690 8.306 15.986 1.00 24.31 N ATOM 773 CA ALA A 48 -8.231 7.177 16.788 1.00 24.30 C ATOM 774 C ALA A 48 -9.154 5.977 16.623 1.00 13.44 C ATOM 775 O ALA A 48 -8.707 4.869 16.374 1.00 23.42 O ATOM 776 CB ALA A 48 -8.138 7.517 18.298 1.00 65.13 C ATOM 0 H ALA A 48 -8.893 9.154 16.515 1.00 24.31 H new ATOM 0 HA ALA A 48 -7.232 6.939 16.422 1.00 24.30 H new ATOM 0 HB1 ALA A 48 -7.792 6.642 18.847 1.00 65.13 H new ATOM 0 HB2 ALA A 48 -7.436 8.338 18.444 1.00 65.13 H new ATOM 0 HB3 ALA A 48 -9.121 7.811 18.666 1.00 65.13 H new ATOM 782 N GLY A 49 -10.486 6.187 16.635 1.00 13.25 N ATOM 783 CA GLY A 49 -11.461 5.129 16.398 1.00 35.43 C ATOM 784 C GLY A 49 -11.390 4.567 15.022 1.00 4.23 C ATOM 785 O GLY A 49 -11.545 3.363 14.845 1.00 62.55 O ATOM 0 H GLY A 49 -10.906 7.100 16.811 1.00 13.25 H new ATOM 0 HA2 GLY A 49 -11.302 4.328 17.120 1.00 35.43 H new ATOM 0 HA3 GLY A 49 -12.463 5.521 16.573 1.00 35.43 H new ATOM 789 N CYS A 50 -11.150 5.440 14.013 1.00 53.32 N ATOM 790 CA CYS A 50 -11.076 5.056 12.619 1.00 31.44 C ATOM 791 C CYS A 50 -9.918 4.112 12.381 1.00 42.41 C ATOM 792 O CYS A 50 -10.060 3.125 11.664 1.00 55.12 O ATOM 793 CB CYS A 50 -10.925 6.282 11.678 1.00 34.41 C ATOM 794 SG CYS A 50 -12.370 7.399 11.608 1.00 61.43 S ATOM 0 H CYS A 50 -11.003 6.438 14.167 1.00 53.32 H new ATOM 0 HA CYS A 50 -12.017 4.557 12.388 1.00 31.44 H new ATOM 0 HB2 CYS A 50 -10.057 6.859 11.997 1.00 34.41 H new ATOM 0 HB3 CYS A 50 -10.716 5.922 10.671 1.00 34.41 H new ATOM 799 N VAL A 51 -8.740 4.367 13.003 1.00 75.31 N ATOM 800 CA VAL A 51 -7.639 3.418 12.945 1.00 51.01 C ATOM 801 C VAL A 51 -7.940 2.159 13.704 1.00 0.33 C ATOM 802 O VAL A 51 -7.715 1.072 13.194 1.00 13.50 O ATOM 803 CB VAL A 51 -6.276 4.029 13.315 1.00 51.45 C ATOM 804 CG1 VAL A 51 -6.210 4.754 14.672 1.00 34.34 C ATOM 805 CG2 VAL A 51 -5.216 2.918 13.436 1.00 34.24 C ATOM 0 H VAL A 51 -8.545 5.213 13.539 1.00 75.31 H new ATOM 0 HA VAL A 51 -7.543 3.137 11.896 1.00 51.01 H new ATOM 0 HB VAL A 51 -6.104 4.749 12.515 1.00 51.45 H new ATOM 0 HG11 VAL A 51 -5.204 5.144 14.828 1.00 34.34 H new ATOM 0 HG12 VAL A 51 -6.924 5.578 14.679 1.00 34.34 H new ATOM 0 HG13 VAL A 51 -6.455 4.054 15.471 1.00 34.34 H new ATOM 0 HG21 VAL A 51 -4.254 3.359 13.698 1.00 34.24 H new ATOM 0 HG22 VAL A 51 -5.515 2.213 14.212 1.00 34.24 H new ATOM 0 HG23 VAL A 51 -5.127 2.394 12.484 1.00 34.24 H new ATOM 815 N ILE A 52 -8.548 2.246 14.898 1.00 21.43 N ATOM 816 CA ILE A 52 -8.767 1.099 15.771 1.00 31.12 C ATOM 817 C ILE A 52 -9.618 0.034 15.105 1.00 12.34 C ATOM 818 O ILE A 52 -9.287 -1.150 15.112 1.00 33.22 O ATOM 819 CB ILE A 52 -9.398 1.558 17.084 1.00 33.04 C ATOM 820 CG1 ILE A 52 -8.384 2.350 17.932 1.00 0.11 C ATOM 821 CG2 ILE A 52 -9.993 0.357 17.847 1.00 4.40 C ATOM 822 CD1 ILE A 52 -8.914 3.318 19.014 1.00 22.21 C ATOM 0 H ILE A 52 -8.901 3.123 15.280 1.00 21.43 H new ATOM 0 HA ILE A 52 -7.798 0.646 15.980 1.00 31.12 H new ATOM 0 HB ILE A 52 -10.221 2.237 16.861 1.00 33.04 H new ATOM 0 HG12 ILE A 52 -7.732 1.629 18.425 1.00 0.11 H new ATOM 0 HG13 ILE A 52 -7.762 2.928 17.248 1.00 0.11 H new ATOM 0 HG21 ILE A 52 -10.438 0.703 18.780 1.00 4.40 H new ATOM 0 HG22 ILE A 52 -10.758 -0.120 17.235 1.00 4.40 H new ATOM 0 HG23 ILE A 52 -9.204 -0.362 18.066 1.00 4.40 H new ATOM 0 HD11 ILE A 52 -8.074 3.795 19.519 1.00 22.21 H new ATOM 0 HD12 ILE A 52 -9.537 4.081 18.546 1.00 22.21 H new ATOM 0 HD13 ILE A 52 -9.506 2.762 19.741 1.00 22.21 H new ATOM 834 N LEU A 53 -10.721 0.456 14.464 1.00 35.33 N ATOM 835 CA LEU A 53 -11.638 -0.420 13.778 1.00 23.12 C ATOM 836 C LEU A 53 -11.073 -1.064 12.533 1.00 62.10 C ATOM 837 O LEU A 53 -11.447 -2.172 12.154 1.00 4.21 O ATOM 838 CB LEU A 53 -12.969 0.337 13.542 1.00 61.34 C ATOM 839 CG LEU A 53 -13.008 1.555 12.588 1.00 53.42 C ATOM 840 CD1 LEU A 53 -12.766 1.223 11.108 1.00 5.30 C ATOM 841 CD2 LEU A 53 -14.366 2.266 12.739 1.00 13.23 C ATOM 0 H LEU A 53 -10.990 1.439 14.417 1.00 35.33 H new ATOM 0 HA LEU A 53 -11.831 -1.280 14.420 1.00 23.12 H new ATOM 0 HB2 LEU A 53 -13.693 -0.388 13.171 1.00 61.34 H new ATOM 0 HB3 LEU A 53 -13.326 0.675 14.515 1.00 61.34 H new ATOM 0 HG LEU A 53 -12.179 2.198 12.884 1.00 53.42 H new ATOM 0 HD11 LEU A 53 -12.812 2.138 10.518 1.00 5.30 H new ATOM 0 HD12 LEU A 53 -11.783 0.766 10.994 1.00 5.30 H new ATOM 0 HD13 LEU A 53 -13.531 0.528 10.761 1.00 5.30 H new ATOM 0 HD21 LEU A 53 -14.403 3.126 12.070 1.00 13.23 H new ATOM 0 HD22 LEU A 53 -15.169 1.574 12.485 1.00 13.23 H new ATOM 0 HD23 LEU A 53 -14.488 2.602 13.769 1.00 13.23 H new ATOM 853 N CYS A 54 -10.110 -0.372 11.897 1.00 33.12 N ATOM 854 CA CYS A 54 -9.355 -0.835 10.750 1.00 20.22 C ATOM 855 C CYS A 54 -8.534 -2.070 11.066 1.00 54.30 C ATOM 856 O CYS A 54 -8.550 -3.010 10.271 1.00 34.50 O ATOM 857 CB CYS A 54 -8.463 0.291 10.153 1.00 63.53 C ATOM 858 SG CYS A 54 -7.521 -0.208 8.675 1.00 0.05 S ATOM 0 H CYS A 54 -9.835 0.565 12.193 1.00 33.12 H new ATOM 0 HA CYS A 54 -10.086 -1.117 9.992 1.00 20.22 H new ATOM 0 HB2 CYS A 54 -9.094 1.142 9.898 1.00 63.53 H new ATOM 0 HB3 CYS A 54 -7.765 0.630 10.918 1.00 63.53 H new ATOM 863 N LEU A 55 -7.831 -2.165 12.233 1.00 32.54 N ATOM 864 CA LEU A 55 -7.096 -3.359 12.558 1.00 63.52 C ATOM 865 C LEU A 55 -7.957 -4.575 12.669 1.00 15.03 C ATOM 866 O LEU A 55 -7.565 -5.639 12.217 1.00 25.31 O ATOM 867 CB LEU A 55 -6.363 -3.086 13.844 1.00 11.35 C ATOM 868 CG LEU A 55 -5.164 -2.132 13.649 1.00 50.32 C ATOM 869 CD1 LEU A 55 -4.012 -2.786 12.867 1.00 50.11 C ATOM 870 CD2 LEU A 55 -5.387 -0.694 13.187 1.00 64.31 C ATOM 0 H LEU A 55 -7.777 -1.426 12.934 1.00 32.54 H new ATOM 0 HA LEU A 55 -6.404 -3.586 11.747 1.00 63.52 H new ATOM 0 HB2 LEU A 55 -7.054 -2.653 14.568 1.00 11.35 H new ATOM 0 HB3 LEU A 55 -6.010 -4.028 14.264 1.00 11.35 H new ATOM 0 HG LEU A 55 -4.899 -1.978 14.695 1.00 50.32 H new ATOM 0 HD11 LEU A 55 -3.195 -2.073 12.758 1.00 50.11 H new ATOM 0 HD12 LEU A 55 -3.658 -3.664 13.407 1.00 50.11 H new ATOM 0 HD13 LEU A 55 -4.366 -3.086 11.881 1.00 50.11 H new ATOM 0 HD21 LEU A 55 -4.427 -0.184 13.109 1.00 64.31 H new ATOM 0 HD22 LEU A 55 -5.877 -0.697 12.213 1.00 64.31 H new ATOM 0 HD23 LEU A 55 -6.017 -0.174 13.908 1.00 64.31 H new ATOM 882 N ALA A 56 -9.172 -4.420 13.205 1.00 53.25 N ATOM 883 CA ALA A 56 -10.111 -5.486 13.480 1.00 53.32 C ATOM 884 C ALA A 56 -10.451 -6.358 12.290 1.00 43.41 C ATOM 885 O ALA A 56 -10.568 -7.577 12.393 1.00 32.21 O ATOM 886 CB ALA A 56 -11.406 -4.884 14.047 1.00 33.23 C ATOM 0 H ALA A 56 -9.533 -3.503 13.467 1.00 53.25 H new ATOM 0 HA ALA A 56 -9.616 -6.140 14.198 1.00 53.32 H new ATOM 0 HB1 ALA A 56 -12.117 -5.683 14.256 1.00 33.23 H new ATOM 0 HB2 ALA A 56 -11.184 -4.345 14.968 1.00 33.23 H new ATOM 0 HB3 ALA A 56 -11.837 -4.196 13.319 1.00 33.23 H new ATOM 892 N LYS A 57 -10.587 -5.735 11.109 1.00 63.21 N ATOM 893 CA LYS A 57 -10.761 -6.456 9.862 1.00 31.13 C ATOM 894 C LYS A 57 -9.489 -7.168 9.413 1.00 31.23 C ATOM 895 O LYS A 57 -9.513 -8.263 8.854 1.00 13.42 O ATOM 896 CB LYS A 57 -11.234 -5.496 8.743 1.00 14.21 C ATOM 897 CG LYS A 57 -12.638 -4.916 8.995 1.00 73.41 C ATOM 898 CD LYS A 57 -13.089 -3.957 7.879 1.00 45.23 C ATOM 899 CE LYS A 57 -14.430 -3.265 8.143 1.00 62.44 C ATOM 900 NZ LYS A 57 -15.530 -4.249 8.141 1.00 64.13 N ATOM 0 H LYS A 57 -10.578 -4.721 11.004 1.00 63.21 H new ATOM 0 HA LYS A 57 -11.520 -7.217 10.046 1.00 31.13 H new ATOM 0 HB2 LYS A 57 -10.521 -4.677 8.650 1.00 14.21 H new ATOM 0 HB3 LYS A 57 -11.233 -6.028 7.792 1.00 14.21 H new ATOM 0 HG2 LYS A 57 -13.355 -5.733 9.080 1.00 73.41 H new ATOM 0 HG3 LYS A 57 -12.643 -4.387 9.948 1.00 73.41 H new ATOM 0 HD2 LYS A 57 -12.322 -3.195 7.739 1.00 45.23 H new ATOM 0 HD3 LYS A 57 -13.159 -4.514 6.945 1.00 45.23 H new ATOM 0 HE2 LYS A 57 -14.397 -2.750 9.103 1.00 62.44 H new ATOM 0 HE3 LYS A 57 -14.611 -2.507 7.381 1.00 62.44 H new ATOM 0 HZ1 LYS A 57 -16.431 -3.763 8.321 1.00 64.13 H new ATOM 0 HZ2 LYS A 57 -15.571 -4.722 7.216 1.00 64.13 H new ATOM 0 HZ3 LYS A 57 -15.364 -4.957 8.885 1.00 64.13 H new ATOM 914 N LYS A 58 -8.323 -6.538 9.648 1.00 24.35 N ATOM 915 CA LYS A 58 -7.041 -6.898 9.094 1.00 32.11 C ATOM 916 C LYS A 58 -6.204 -7.746 10.051 1.00 61.42 C ATOM 917 O LYS A 58 -4.978 -7.695 10.068 1.00 1.13 O ATOM 918 CB LYS A 58 -6.276 -5.613 8.715 1.00 64.42 C ATOM 919 CG LYS A 58 -6.899 -4.780 7.586 1.00 33.42 C ATOM 920 CD LYS A 58 -5.961 -3.625 7.199 1.00 61.00 C ATOM 921 CE LYS A 58 -6.478 -2.709 6.091 1.00 73.34 C ATOM 922 NZ LYS A 58 -6.543 -3.420 4.799 1.00 53.22 N ATOM 0 H LYS A 58 -8.266 -5.726 10.263 1.00 24.35 H new ATOM 0 HA LYS A 58 -7.220 -7.509 8.209 1.00 32.11 H new ATOM 0 HB2 LYS A 58 -6.193 -4.985 9.602 1.00 64.42 H new ATOM 0 HB3 LYS A 58 -5.262 -5.888 8.423 1.00 64.42 H new ATOM 0 HG2 LYS A 58 -7.086 -5.412 6.718 1.00 33.42 H new ATOM 0 HG3 LYS A 58 -7.863 -4.384 7.906 1.00 33.42 H new ATOM 0 HD2 LYS A 58 -5.768 -3.022 8.086 1.00 61.00 H new ATOM 0 HD3 LYS A 58 -5.005 -4.044 6.885 1.00 61.00 H new ATOM 0 HE2 LYS A 58 -7.468 -2.337 6.355 1.00 73.34 H new ATOM 0 HE3 LYS A 58 -5.826 -1.841 5.999 1.00 73.34 H new ATOM 0 HZ1 LYS A 58 -6.766 -2.743 4.041 1.00 53.22 H new ATOM 0 HZ2 LYS A 58 -5.626 -3.869 4.603 1.00 53.22 H new ATOM 0 HZ3 LYS A 58 -7.283 -4.149 4.841 1.00 53.22 H new ATOM 936 N LEU A 59 -6.853 -8.592 10.872 1.00 41.30 N ATOM 937 CA LEU A 59 -6.195 -9.442 11.867 1.00 64.44 C ATOM 938 C LEU A 59 -5.609 -10.657 11.225 1.00 70.32 C ATOM 939 O LEU A 59 -4.615 -11.224 11.642 1.00 12.25 O ATOM 940 CB LEU A 59 -7.111 -9.984 12.974 1.00 73.01 C ATOM 941 CG LEU A 59 -7.749 -8.878 13.814 1.00 13.15 C ATOM 942 CD1 LEU A 59 -8.686 -9.496 14.861 1.00 74.30 C ATOM 943 CD2 LEU A 59 -6.858 -7.738 14.303 1.00 15.12 C ATOM 0 H LEU A 59 -7.867 -8.702 10.858 1.00 41.30 H new ATOM 0 HA LEU A 59 -5.453 -8.777 12.308 1.00 64.44 H new ATOM 0 HB2 LEU A 59 -7.897 -10.590 12.524 1.00 73.01 H new ATOM 0 HB3 LEU A 59 -6.535 -10.641 13.625 1.00 73.01 H new ATOM 0 HG LEU A 59 -8.350 -8.293 13.117 1.00 13.15 H new ATOM 0 HD11 LEU A 59 -9.138 -8.704 15.457 1.00 74.30 H new ATOM 0 HD12 LEU A 59 -9.469 -10.064 14.358 1.00 74.30 H new ATOM 0 HD13 LEU A 59 -8.117 -10.160 15.512 1.00 74.30 H new ATOM 0 HD21 LEU A 59 -7.454 -7.034 14.884 1.00 15.12 H new ATOM 0 HD22 LEU A 59 -6.061 -8.141 14.928 1.00 15.12 H new ATOM 0 HD23 LEU A 59 -6.422 -7.224 13.446 1.00 15.12 H new ATOM 955 N GLU A 60 -6.238 -11.063 10.129 1.00 5.14 N ATOM 956 CA GLU A 60 -5.803 -12.157 9.274 1.00 54.14 C ATOM 957 C GLU A 60 -4.460 -11.888 8.606 1.00 11.34 C ATOM 958 O GLU A 60 -3.811 -12.787 8.080 1.00 71.44 O ATOM 959 CB GLU A 60 -6.894 -12.504 8.228 1.00 52.34 C ATOM 960 CG GLU A 60 -7.218 -11.423 7.167 1.00 22.52 C ATOM 961 CD GLU A 60 -8.354 -11.867 6.241 1.00 1.40 C ATOM 962 OE1 GLU A 60 -8.123 -11.922 5.007 1.00 62.23 O ATOM 963 OE2 GLU A 60 -9.466 -12.148 6.771 1.00 25.13 O ATOM 0 H GLU A 60 -7.097 -10.622 9.800 1.00 5.14 H new ATOM 0 HA GLU A 60 -5.654 -13.023 9.919 1.00 54.14 H new ATOM 0 HB2 GLU A 60 -6.587 -13.410 7.706 1.00 52.34 H new ATOM 0 HB3 GLU A 60 -7.814 -12.740 8.763 1.00 52.34 H new ATOM 0 HG2 GLU A 60 -7.496 -10.494 7.666 1.00 22.52 H new ATOM 0 HG3 GLU A 60 -6.326 -11.213 6.576 1.00 22.52 H new ATOM 970 N LEU A 61 -4.028 -10.608 8.634 1.00 53.40 N ATOM 971 CA LEU A 61 -2.726 -10.131 8.205 1.00 45.31 C ATOM 972 C LEU A 61 -1.634 -10.488 9.214 1.00 13.52 C ATOM 973 O LEU A 61 -0.458 -10.583 8.869 1.00 41.00 O ATOM 974 CB LEU A 61 -2.649 -8.601 8.020 1.00 1.23 C ATOM 975 CG LEU A 61 -3.609 -7.921 7.018 1.00 60.40 C ATOM 976 CD1 LEU A 61 -2.904 -6.808 6.235 1.00 33.51 C ATOM 977 CD2 LEU A 61 -4.642 -8.758 6.241 1.00 45.54 C ATOM 0 H LEU A 61 -4.621 -9.852 8.977 1.00 53.40 H new ATOM 0 HA LEU A 61 -2.573 -10.624 7.245 1.00 45.31 H new ATOM 0 HB2 LEU A 61 -2.812 -8.142 8.995 1.00 1.23 H new ATOM 0 HB3 LEU A 61 -1.630 -8.356 7.719 1.00 1.23 H new ATOM 0 HG LEU A 61 -4.345 -7.459 7.676 1.00 60.40 H new ATOM 0 HD11 LEU A 61 -3.608 -6.351 5.539 1.00 33.51 H new ATOM 0 HD12 LEU A 61 -2.536 -6.052 6.929 1.00 33.51 H new ATOM 0 HD13 LEU A 61 -2.066 -7.229 5.679 1.00 33.51 H new ATOM 0 HD21 LEU A 61 -5.223 -8.106 5.589 1.00 45.54 H new ATOM 0 HD22 LEU A 61 -4.126 -9.506 5.639 1.00 45.54 H new ATOM 0 HD23 LEU A 61 -5.310 -9.256 6.944 1.00 45.54 H new ATOM 989 N LEU A 62 -2.022 -10.633 10.501 1.00 61.42 N ATOM 990 CA LEU A 62 -1.182 -10.863 11.666 1.00 41.14 C ATOM 991 C LEU A 62 -0.581 -12.257 11.635 1.00 10.52 C ATOM 992 O LEU A 62 -0.981 -13.136 10.874 1.00 35.25 O ATOM 993 CB LEU A 62 -1.973 -10.713 13.003 1.00 42.34 C ATOM 994 CG LEU A 62 -2.613 -9.318 13.182 1.00 52.10 C ATOM 995 CD1 LEU A 62 -3.622 -9.232 14.346 1.00 10.25 C ATOM 996 CD2 LEU A 62 -1.564 -8.205 13.326 1.00 32.32 C ATOM 0 H LEU A 62 -3.008 -10.586 10.756 1.00 61.42 H new ATOM 0 HA LEU A 62 -0.398 -10.107 11.626 1.00 41.14 H new ATOM 0 HB2 LEU A 62 -2.755 -11.471 13.041 1.00 42.34 H new ATOM 0 HB3 LEU A 62 -1.300 -10.906 13.839 1.00 42.34 H new ATOM 0 HG LEU A 62 -3.172 -9.164 12.259 1.00 52.10 H new ATOM 0 HD11 LEU A 62 -4.025 -8.221 14.404 1.00 10.25 H new ATOM 0 HD12 LEU A 62 -4.435 -9.938 14.176 1.00 10.25 H new ATOM 0 HD13 LEU A 62 -3.119 -9.476 15.282 1.00 10.25 H new ATOM 0 HD21 LEU A 62 -2.066 -7.245 13.449 1.00 32.32 H new ATOM 0 HD22 LEU A 62 -0.941 -8.403 14.198 1.00 32.32 H new ATOM 0 HD23 LEU A 62 -0.940 -8.176 12.433 1.00 32.32 H new ATOM 1008 N ASP A 63 0.456 -12.486 12.469 1.00 64.13 N ATOM 1009 CA ASP A 63 1.166 -13.749 12.511 1.00 35.22 C ATOM 1010 C ASP A 63 0.250 -14.852 13.025 1.00 12.44 C ATOM 1011 O ASP A 63 -0.420 -14.711 14.044 1.00 20.41 O ATOM 1012 CB ASP A 63 2.430 -13.632 13.419 1.00 72.23 C ATOM 1013 CG ASP A 63 3.457 -14.763 13.342 1.00 70.24 C ATOM 1014 OD1 ASP A 63 4.541 -14.591 13.954 1.00 61.02 O ATOM 1015 OD2 ASP A 63 3.138 -15.838 12.770 1.00 14.33 O ATOM 0 H ASP A 63 0.812 -11.791 13.125 1.00 64.13 H new ATOM 0 HA ASP A 63 1.486 -14.001 11.500 1.00 35.22 H new ATOM 0 HB2 ASP A 63 2.937 -12.699 13.173 1.00 72.23 H new ATOM 0 HB3 ASP A 63 2.096 -13.550 14.453 1.00 72.23 H new ATOM 1020 N GLN A 64 0.269 -16.020 12.361 1.00 31.24 N ATOM 1021 CA GLN A 64 -0.437 -17.201 12.796 1.00 12.51 C ATOM 1022 C GLN A 64 0.026 -17.700 14.162 1.00 2.04 C ATOM 1023 O GLN A 64 -0.746 -18.280 14.920 1.00 22.43 O ATOM 1024 CB GLN A 64 -0.342 -18.312 11.721 1.00 21.22 C ATOM 1025 CG GLN A 64 -1.092 -19.610 12.097 1.00 40.31 C ATOM 1026 CD GLN A 64 -2.589 -19.374 12.357 1.00 13.22 C ATOM 1027 OE1 GLN A 64 -3.364 -18.975 11.483 1.00 70.34 O ATOM 1028 NE2 GLN A 64 -3.012 -19.612 13.626 1.00 33.04 N ATOM 0 H GLN A 64 0.789 -16.155 11.494 1.00 31.24 H new ATOM 0 HA GLN A 64 -1.484 -16.924 12.919 1.00 12.51 H new ATOM 0 HB2 GLN A 64 -0.743 -17.931 10.782 1.00 21.22 H new ATOM 0 HB3 GLN A 64 0.708 -18.548 11.547 1.00 21.22 H new ATOM 0 HG2 GLN A 64 -0.977 -20.337 11.293 1.00 40.31 H new ATOM 0 HG3 GLN A 64 -0.636 -20.044 12.987 1.00 40.31 H new ATOM 0 HE21 GLN A 64 -2.352 -19.941 14.330 1.00 33.04 H new ATOM 0 HE22 GLN A 64 -3.990 -19.461 13.874 1.00 33.04 H new ATOM 1037 N ASP A 65 1.296 -17.438 14.543 1.00 65.32 N ATOM 1038 CA ASP A 65 1.873 -17.886 15.805 1.00 0.35 C ATOM 1039 C ASP A 65 1.130 -17.358 17.034 1.00 74.34 C ATOM 1040 O ASP A 65 1.039 -18.052 18.042 1.00 75.20 O ATOM 1041 CB ASP A 65 3.374 -17.495 15.934 1.00 10.12 C ATOM 1042 CG ASP A 65 4.283 -18.306 15.010 1.00 71.23 C ATOM 1043 OD1 ASP A 65 3.817 -19.317 14.425 1.00 52.11 O ATOM 1044 OD2 ASP A 65 5.477 -17.923 14.914 1.00 41.43 O ATOM 0 H ASP A 65 1.947 -16.903 13.968 1.00 65.32 H new ATOM 0 HA ASP A 65 1.773 -18.971 15.780 1.00 0.35 H new ATOM 0 HB2 ASP A 65 3.488 -16.435 15.708 1.00 10.12 H new ATOM 0 HB3 ASP A 65 3.694 -17.638 16.966 1.00 10.12 H new ATOM 1049 N MET A 66 0.575 -16.121 16.986 1.00 14.11 N ATOM 1050 CA MET A 66 -0.206 -15.587 18.094 1.00 3.04 C ATOM 1051 C MET A 66 -1.642 -16.089 18.080 1.00 42.31 C ATOM 1052 O MET A 66 -2.358 -15.914 19.064 1.00 52.25 O ATOM 1053 CB MET A 66 -0.194 -14.031 18.134 1.00 10.21 C ATOM 1054 CG MET A 66 -0.972 -13.280 17.036 1.00 61.44 C ATOM 1055 SD MET A 66 -0.752 -11.470 17.046 1.00 15.42 S ATOM 1056 CE MET A 66 -1.723 -11.082 18.530 1.00 34.10 C ATOM 0 H MET A 66 0.662 -15.489 16.190 1.00 14.11 H new ATOM 0 HA MET A 66 0.280 -15.955 18.998 1.00 3.04 H new ATOM 0 HB2 MET A 66 -0.590 -13.717 19.100 1.00 10.21 H new ATOM 0 HB3 MET A 66 0.845 -13.703 18.093 1.00 10.21 H new ATOM 0 HG2 MET A 66 -0.663 -13.664 16.064 1.00 61.44 H new ATOM 0 HG3 MET A 66 -2.033 -13.504 17.145 1.00 61.44 H new ATOM 0 HE1 MET A 66 -2.532 -10.400 18.268 1.00 34.10 H new ATOM 0 HE2 MET A 66 -2.142 -12.000 18.941 1.00 34.10 H new ATOM 0 HE3 MET A 66 -1.079 -10.613 19.274 1.00 34.10 H new ATOM 1066 N ASN A 67 -2.067 -16.739 16.965 1.00 31.15 N ATOM 1067 CA ASN A 67 -3.386 -17.287 16.692 1.00 13.22 C ATOM 1068 C ASN A 67 -4.538 -16.297 16.683 1.00 20.04 C ATOM 1069 O ASN A 67 -5.676 -16.671 16.961 1.00 0.10 O ATOM 1070 CB ASN A 67 -3.711 -18.483 17.644 1.00 21.30 C ATOM 1071 CG ASN A 67 -2.820 -19.680 17.315 1.00 34.01 C ATOM 1072 OD1 ASN A 67 -3.141 -20.458 16.413 1.00 5.11 O ATOM 1073 ND2 ASN A 67 -1.672 -19.832 18.015 1.00 33.12 N ATOM 0 H ASN A 67 -1.432 -16.896 16.183 1.00 31.15 H new ATOM 0 HA ASN A 67 -3.309 -17.630 15.660 1.00 13.22 H new ATOM 0 HB2 ASN A 67 -3.560 -18.183 18.681 1.00 21.30 H new ATOM 0 HB3 ASN A 67 -4.760 -18.763 17.543 1.00 21.30 H new ATOM 0 HD21 ASN A 67 -1.044 -20.607 17.802 1.00 33.12 H new ATOM 0 HD22 ASN A 67 -1.435 -19.172 18.755 1.00 33.12 H new ATOM 1080 N LEU A 68 -4.313 -15.009 16.316 1.00 50.45 N ATOM 1081 CA LEU A 68 -5.422 -14.078 16.217 1.00 73.11 C ATOM 1082 C LEU A 68 -6.135 -14.226 14.891 1.00 63.10 C ATOM 1083 O LEU A 68 -5.547 -14.035 13.829 1.00 62.43 O ATOM 1084 CB LEU A 68 -4.979 -12.599 16.347 1.00 1.31 C ATOM 1085 CG LEU A 68 -6.044 -11.620 16.908 1.00 32.23 C ATOM 1086 CD1 LEU A 68 -5.746 -10.150 16.658 1.00 63.44 C ATOM 1087 CD2 LEU A 68 -7.522 -12.043 16.952 1.00 65.22 C ATOM 0 H LEU A 68 -3.397 -14.619 16.094 1.00 50.45 H new ATOM 0 HA LEU A 68 -6.085 -14.325 17.047 1.00 73.11 H new ATOM 0 HB2 LEU A 68 -4.101 -12.558 16.991 1.00 1.31 H new ATOM 0 HB3 LEU A 68 -4.670 -12.245 15.364 1.00 1.31 H new ATOM 0 HG LEU A 68 -5.875 -11.750 17.977 1.00 32.23 H new ATOM 0 HD11 LEU A 68 -6.542 -9.540 17.084 1.00 63.44 H new ATOM 0 HD12 LEU A 68 -4.797 -9.886 17.126 1.00 63.44 H new ATOM 0 HD13 LEU A 68 -5.684 -9.969 15.585 1.00 63.44 H new ATOM 0 HD21 LEU A 68 -8.119 -11.235 17.374 1.00 65.22 H new ATOM 0 HD22 LEU A 68 -7.868 -12.261 15.942 1.00 65.22 H new ATOM 0 HD23 LEU A 68 -7.627 -12.933 17.572 1.00 65.22 H new ATOM 1099 N HIS A 69 -7.448 -14.522 14.928 1.00 72.45 N ATOM 1100 CA HIS A 69 -8.278 -14.368 13.759 1.00 24.24 C ATOM 1101 C HIS A 69 -9.594 -13.793 14.189 1.00 70.11 C ATOM 1102 O HIS A 69 -10.028 -13.949 15.332 1.00 63.12 O ATOM 1103 CB HIS A 69 -8.513 -15.698 12.988 1.00 11.44 C ATOM 1104 CG HIS A 69 -7.287 -16.267 12.317 1.00 44.31 C ATOM 1105 ND1 HIS A 69 -6.945 -15.894 11.046 1.00 30.52 N ATOM 1106 CD2 HIS A 69 -6.368 -17.179 12.717 1.00 11.21 C ATOM 1107 CE1 HIS A 69 -5.866 -16.562 10.680 1.00 31.21 C ATOM 1108 NE2 HIS A 69 -5.496 -17.351 11.671 1.00 11.44 N ATOM 0 H HIS A 69 -7.936 -14.865 15.755 1.00 72.45 H new ATOM 0 HA HIS A 69 -7.758 -13.704 13.068 1.00 24.24 H new ATOM 0 HB2 HIS A 69 -8.906 -16.440 13.683 1.00 11.44 H new ATOM 0 HB3 HIS A 69 -9.280 -15.532 12.231 1.00 11.44 H new ATOM 0 HD2 HIS A 69 -6.329 -17.675 13.675 1.00 11.21 H new ATOM 0 HE1 HIS A 69 -5.368 -16.476 9.726 1.00 31.21 H new ATOM 0 HE2 HIS A 69 -4.696 -17.983 11.661 1.00 11.44 H new ATOM 1117 N HIS A 70 -10.261 -13.075 13.263 1.00 64.11 N ATOM 1118 CA HIS A 70 -11.536 -12.456 13.521 1.00 22.40 C ATOM 1119 C HIS A 70 -12.649 -13.463 13.757 1.00 62.45 C ATOM 1120 O HIS A 70 -12.878 -14.390 12.979 1.00 24.13 O ATOM 1121 CB HIS A 70 -11.886 -11.464 12.378 1.00 42.21 C ATOM 1122 CG HIS A 70 -11.692 -12.024 10.992 1.00 60.54 C ATOM 1123 ND1 HIS A 70 -12.191 -13.232 10.594 1.00 4.54 N ATOM 1124 CD2 HIS A 70 -10.960 -11.543 9.962 1.00 3.35 C ATOM 1125 CE1 HIS A 70 -11.776 -13.481 9.365 1.00 13.53 C ATOM 1126 NE2 HIS A 70 -11.025 -12.471 8.960 1.00 42.32 N ATOM 0 H HIS A 70 -9.912 -12.919 12.317 1.00 64.11 H new ATOM 0 HA HIS A 70 -11.447 -11.899 14.454 1.00 22.40 H new ATOM 0 HB2 HIS A 70 -12.924 -11.151 12.489 1.00 42.21 H new ATOM 0 HB3 HIS A 70 -11.271 -10.571 12.486 1.00 42.21 H new ATOM 0 HD2 HIS A 70 -10.426 -10.605 9.936 1.00 3.35 H new ATOM 0 HE1 HIS A 70 -12.011 -14.363 8.787 1.00 13.53 H new ATOM 0 HE2 HIS A 70 -10.569 -12.396 8.050 1.00 42.32 H new ATOM 1135 N GLY A 71 -13.359 -13.266 14.885 1.00 1.13 N ATOM 1136 CA GLY A 71 -14.404 -14.151 15.389 1.00 42.55 C ATOM 1137 C GLY A 71 -13.941 -15.192 16.384 1.00 34.23 C ATOM 1138 O GLY A 71 -14.763 -15.849 17.014 1.00 31.04 O ATOM 0 H GLY A 71 -13.208 -12.455 15.485 1.00 1.13 H new ATOM 0 HA2 GLY A 71 -15.178 -13.543 15.857 1.00 42.55 H new ATOM 0 HA3 GLY A 71 -14.866 -14.660 14.543 1.00 42.55 H new ATOM 1142 N LYS A 72 -12.615 -15.381 16.567 1.00 13.11 N ATOM 1143 CA LYS A 72 -12.039 -16.503 17.292 1.00 4.51 C ATOM 1144 C LYS A 72 -11.499 -16.087 18.651 1.00 55.31 C ATOM 1145 O LYS A 72 -10.610 -16.735 19.208 1.00 5.52 O ATOM 1146 CB LYS A 72 -10.911 -17.221 16.483 1.00 53.40 C ATOM 1147 CG LYS A 72 -11.363 -18.109 15.299 1.00 64.31 C ATOM 1148 CD LYS A 72 -11.942 -17.395 14.065 1.00 30.10 C ATOM 1149 CE LYS A 72 -12.325 -18.336 12.916 1.00 22.35 C ATOM 1150 NZ LYS A 72 -11.128 -18.990 12.350 1.00 64.45 N ATOM 0 H LYS A 72 -11.913 -14.737 16.202 1.00 13.11 H new ATOM 0 HA LYS A 72 -12.858 -17.207 17.439 1.00 4.51 H new ATOM 0 HB2 LYS A 72 -10.232 -16.461 16.098 1.00 53.40 H new ATOM 0 HB3 LYS A 72 -10.338 -17.840 17.174 1.00 53.40 H new ATOM 0 HG2 LYS A 72 -10.507 -18.702 14.976 1.00 64.31 H new ATOM 0 HG3 LYS A 72 -12.114 -18.808 15.668 1.00 64.31 H new ATOM 0 HD2 LYS A 72 -12.824 -16.830 14.367 1.00 30.10 H new ATOM 0 HD3 LYS A 72 -11.211 -16.673 13.700 1.00 30.10 H new ATOM 0 HE2 LYS A 72 -13.021 -19.093 13.277 1.00 22.35 H new ATOM 0 HE3 LYS A 72 -12.840 -17.774 12.137 1.00 22.35 H new ATOM 0 HZ1 LYS A 72 -11.389 -19.501 11.482 1.00 64.45 H new ATOM 0 HZ2 LYS A 72 -10.412 -18.270 12.126 1.00 64.45 H new ATOM 0 HZ3 LYS A 72 -10.739 -19.661 13.043 1.00 64.45 H new ATOM 1164 N ALA A 73 -12.053 -15.007 19.256 1.00 32.51 N ATOM 1165 CA ALA A 73 -11.566 -14.424 20.493 1.00 42.44 C ATOM 1166 C ALA A 73 -11.530 -15.367 21.653 1.00 52.40 C ATOM 1167 O ALA A 73 -10.541 -15.385 22.368 1.00 35.11 O ATOM 1168 CB ALA A 73 -12.440 -13.257 20.954 1.00 74.52 C ATOM 0 H ALA A 73 -12.865 -14.521 18.876 1.00 32.51 H new ATOM 0 HA ALA A 73 -10.553 -14.115 20.235 1.00 42.44 H new ATOM 0 HB1 ALA A 73 -12.042 -12.849 21.883 1.00 74.52 H new ATOM 0 HB2 ALA A 73 -12.444 -12.481 20.189 1.00 74.52 H new ATOM 0 HB3 ALA A 73 -13.458 -13.608 21.120 1.00 74.52 H new ATOM 1174 N MET A 74 -12.569 -16.192 21.860 1.00 54.10 N ATOM 1175 CA MET A 74 -12.615 -17.077 23.014 1.00 4.44 C ATOM 1176 C MET A 74 -11.463 -18.078 23.036 1.00 23.13 C ATOM 1177 O MET A 74 -10.876 -18.339 24.083 1.00 5.11 O ATOM 1178 CB MET A 74 -13.966 -17.832 23.089 1.00 33.20 C ATOM 1179 CG MET A 74 -15.149 -16.895 23.410 1.00 73.24 C ATOM 1180 SD MET A 74 -16.762 -17.726 23.542 1.00 10.11 S ATOM 1181 CE MET A 74 -17.025 -17.981 21.763 1.00 13.14 C ATOM 0 H MET A 74 -13.379 -16.258 21.243 1.00 54.10 H new ATOM 0 HA MET A 74 -12.512 -16.436 23.889 1.00 4.44 H new ATOM 0 HB2 MET A 74 -14.151 -18.334 22.139 1.00 33.20 H new ATOM 0 HB3 MET A 74 -13.903 -18.608 23.852 1.00 33.20 H new ATOM 0 HG2 MET A 74 -14.943 -16.380 24.348 1.00 73.24 H new ATOM 0 HG3 MET A 74 -15.211 -16.132 22.634 1.00 73.24 H new ATOM 0 HE1 MET A 74 -17.918 -17.442 21.446 1.00 13.14 H new ATOM 0 HE2 MET A 74 -16.162 -17.609 21.211 1.00 13.14 H new ATOM 0 HE3 MET A 74 -17.153 -19.045 21.563 1.00 13.14 H new ATOM 1191 N GLU A 75 -11.092 -18.633 21.861 1.00 44.45 N ATOM 1192 CA GLU A 75 -9.957 -19.538 21.731 1.00 11.34 C ATOM 1193 C GLU A 75 -8.610 -18.828 21.843 1.00 63.34 C ATOM 1194 O GLU A 75 -7.703 -19.268 22.548 1.00 0.31 O ATOM 1195 CB GLU A 75 -10.005 -20.293 20.374 1.00 62.05 C ATOM 1196 CG GLU A 75 -11.194 -21.277 20.219 1.00 40.04 C ATOM 1197 CD GLU A 75 -11.121 -22.475 21.169 1.00 60.51 C ATOM 1198 OE1 GLU A 75 -10.142 -23.256 21.055 1.00 53.22 O ATOM 1199 OE2 GLU A 75 -12.059 -22.625 21.993 1.00 74.12 O ATOM 0 H GLU A 75 -11.580 -18.458 20.982 1.00 44.45 H new ATOM 0 HA GLU A 75 -10.042 -20.239 22.561 1.00 11.34 H new ATOM 0 HB2 GLU A 75 -10.050 -19.561 19.568 1.00 62.05 H new ATOM 0 HB3 GLU A 75 -9.075 -20.847 20.249 1.00 62.05 H new ATOM 0 HG2 GLU A 75 -12.126 -20.740 20.395 1.00 40.04 H new ATOM 0 HG3 GLU A 75 -11.224 -21.639 19.191 1.00 40.04 H new ATOM 1206 N PHE A 76 -8.482 -17.673 21.156 1.00 42.51 N ATOM 1207 CA PHE A 76 -7.346 -16.772 21.152 1.00 64.30 C ATOM 1208 C PHE A 76 -7.031 -16.195 22.522 1.00 45.43 C ATOM 1209 O PHE A 76 -5.890 -16.186 22.971 1.00 1.15 O ATOM 1210 CB PHE A 76 -7.644 -15.661 20.105 1.00 34.51 C ATOM 1211 CG PHE A 76 -6.660 -14.529 20.116 1.00 31.13 C ATOM 1212 CD1 PHE A 76 -5.353 -14.657 19.632 1.00 54.20 C ATOM 1213 CD2 PHE A 76 -7.052 -13.321 20.709 1.00 24.20 C ATOM 1214 CE1 PHE A 76 -4.471 -13.568 19.676 1.00 64.32 C ATOM 1215 CE2 PHE A 76 -6.144 -12.275 20.841 1.00 44.23 C ATOM 1216 CZ PHE A 76 -4.862 -12.379 20.296 1.00 64.44 C ATOM 0 H PHE A 76 -9.232 -17.336 20.552 1.00 42.51 H new ATOM 0 HA PHE A 76 -6.447 -17.325 20.881 1.00 64.30 H new ATOM 0 HB2 PHE A 76 -7.656 -16.108 19.111 1.00 34.51 H new ATOM 0 HB3 PHE A 76 -8.642 -15.263 20.288 1.00 34.51 H new ATOM 0 HD1 PHE A 76 -5.022 -15.600 19.222 1.00 54.20 H new ATOM 0 HD2 PHE A 76 -8.064 -13.201 21.065 1.00 24.20 H new ATOM 0 HE1 PHE A 76 -3.490 -13.648 19.231 1.00 64.32 H new ATOM 0 HE2 PHE A 76 -6.432 -11.377 21.368 1.00 44.23 H new ATOM 0 HZ PHE A 76 -4.178 -11.546 20.354 1.00 64.44 H new ATOM 1226 N ALA A 77 -8.044 -15.712 23.249 1.00 13.00 N ATOM 1227 CA ALA A 77 -7.881 -15.106 24.542 1.00 2.42 C ATOM 1228 C ALA A 77 -7.304 -16.059 25.573 1.00 63.30 C ATOM 1229 O ALA A 77 -6.392 -15.710 26.322 1.00 32.33 O ATOM 1230 CB ALA A 77 -9.255 -14.604 24.962 1.00 24.32 C ATOM 0 H ALA A 77 -9.014 -15.740 22.934 1.00 13.00 H new ATOM 0 HA ALA A 77 -7.160 -14.291 24.479 1.00 2.42 H new ATOM 0 HB1 ALA A 77 -9.186 -14.133 25.942 1.00 24.32 H new ATOM 0 HB2 ALA A 77 -9.615 -13.877 24.234 1.00 24.32 H new ATOM 0 HB3 ALA A 77 -9.950 -15.443 25.010 1.00 24.32 H new ATOM 1236 N MET A 78 -7.800 -17.318 25.576 1.00 43.22 N ATOM 1237 CA MET A 78 -7.315 -18.392 26.416 1.00 70.22 C ATOM 1238 C MET A 78 -5.880 -18.798 26.162 1.00 74.14 C ATOM 1239 O MET A 78 -5.124 -19.059 27.095 1.00 0.32 O ATOM 1240 CB MET A 78 -8.252 -19.613 26.335 1.00 24.14 C ATOM 1241 CG MET A 78 -9.585 -19.325 27.060 1.00 75.41 C ATOM 1242 SD MET A 78 -10.765 -20.713 27.093 1.00 53.21 S ATOM 1243 CE MET A 78 -9.838 -21.799 28.216 1.00 74.23 C ATOM 0 H MET A 78 -8.570 -17.603 24.970 1.00 43.22 H new ATOM 0 HA MET A 78 -7.322 -17.989 27.429 1.00 70.22 H new ATOM 0 HB2 MET A 78 -8.446 -19.861 25.291 1.00 24.14 H new ATOM 0 HB3 MET A 78 -7.768 -20.480 26.784 1.00 24.14 H new ATOM 0 HG2 MET A 78 -9.366 -19.031 28.086 1.00 75.41 H new ATOM 0 HG3 MET A 78 -10.065 -18.472 26.579 1.00 75.41 H new ATOM 0 HE1 MET A 78 -10.499 -22.578 28.597 1.00 74.23 H new ATOM 0 HE2 MET A 78 -9.009 -22.258 27.677 1.00 74.23 H new ATOM 0 HE3 MET A 78 -9.449 -21.214 29.049 1.00 74.23 H new ATOM 1253 N LYS A 79 -5.436 -18.807 24.889 1.00 22.11 N ATOM 1254 CA LYS A 79 -4.088 -18.967 24.480 1.00 74.25 C ATOM 1255 C LYS A 79 -3.155 -17.881 25.024 1.00 54.34 C ATOM 1256 O LYS A 79 -1.999 -18.139 25.355 1.00 75.11 O ATOM 1257 CB LYS A 79 -4.278 -19.044 22.969 1.00 71.44 C ATOM 1258 CG LYS A 79 -3.019 -18.995 22.151 1.00 25.10 C ATOM 1259 CD LYS A 79 -2.011 -20.126 22.364 1.00 0.04 C ATOM 1260 CE LYS A 79 -0.681 -19.882 21.650 1.00 24.10 C ATOM 1261 NZ LYS A 79 0.259 -20.978 21.958 1.00 54.54 N ATOM 0 H LYS A 79 -6.071 -18.694 24.099 1.00 22.11 H new ATOM 0 HA LYS A 79 -3.562 -19.837 24.872 1.00 74.25 H new ATOM 0 HB2 LYS A 79 -4.806 -19.968 22.734 1.00 71.44 H new ATOM 0 HB3 LYS A 79 -4.923 -18.221 22.660 1.00 71.44 H new ATOM 0 HG2 LYS A 79 -3.299 -18.984 21.098 1.00 25.10 H new ATOM 0 HG3 LYS A 79 -2.517 -18.050 22.357 1.00 25.10 H new ATOM 0 HD2 LYS A 79 -1.827 -20.246 23.432 1.00 0.04 H new ATOM 0 HD3 LYS A 79 -2.442 -21.062 22.008 1.00 0.04 H new ATOM 0 HE2 LYS A 79 -0.841 -19.820 20.574 1.00 24.10 H new ATOM 0 HE3 LYS A 79 -0.258 -18.928 21.965 1.00 24.10 H new ATOM 0 HZ1 LYS A 79 1.162 -20.808 21.471 1.00 54.54 H new ATOM 0 HZ2 LYS A 79 0.422 -21.018 22.984 1.00 54.54 H new ATOM 0 HZ3 LYS A 79 -0.144 -21.881 21.636 1.00 54.54 H new ATOM 1275 N HIS A 80 -3.664 -16.640 25.157 1.00 74.13 N ATOM 1276 CA HIS A 80 -2.947 -15.483 25.663 1.00 22.05 C ATOM 1277 C HIS A 80 -3.025 -15.286 27.161 1.00 3.10 C ATOM 1278 O HIS A 80 -2.634 -14.240 27.678 1.00 21.13 O ATOM 1279 CB HIS A 80 -3.405 -14.220 24.914 1.00 0.33 C ATOM 1280 CG HIS A 80 -2.819 -14.216 23.524 1.00 73.10 C ATOM 1281 ND1 HIS A 80 -1.512 -13.867 23.315 1.00 64.50 N ATOM 1282 CD2 HIS A 80 -3.256 -14.780 22.379 1.00 24.35 C ATOM 1283 CE1 HIS A 80 -1.169 -14.210 22.085 1.00 72.03 C ATOM 1284 NE2 HIS A 80 -2.208 -14.774 21.501 1.00 34.51 N ATOM 0 H HIS A 80 -4.627 -16.422 24.900 1.00 74.13 H new ATOM 0 HA HIS A 80 -1.892 -15.676 25.469 1.00 22.05 H new ATOM 0 HB2 HIS A 80 -4.493 -14.191 24.861 1.00 0.33 H new ATOM 0 HB3 HIS A 80 -3.088 -13.329 25.456 1.00 0.33 H new ATOM 0 HD2 HIS A 80 -4.248 -15.164 22.191 1.00 24.35 H new ATOM 0 HE1 HIS A 80 -0.200 -14.054 21.634 1.00 72.03 H new ATOM 0 HE2 HIS A 80 -2.227 -15.145 20.551 1.00 34.51 H new ATOM 1293 N GLY A 81 -3.481 -16.307 27.917 1.00 63.34 N ATOM 1294 CA GLY A 81 -3.352 -16.311 29.366 1.00 22.54 C ATOM 1295 C GLY A 81 -4.568 -15.826 30.089 1.00 21.32 C ATOM 1296 O GLY A 81 -4.591 -15.817 31.317 1.00 12.22 O ATOM 0 H GLY A 81 -3.940 -17.134 27.535 1.00 63.34 H new ATOM 0 HA2 GLY A 81 -3.126 -17.325 29.697 1.00 22.54 H new ATOM 0 HA3 GLY A 81 -2.503 -15.687 29.646 1.00 22.54 H new ATOM 1300 N ALA A 82 -5.640 -15.453 29.359 1.00 54.24 N ATOM 1301 CA ALA A 82 -6.950 -15.326 29.984 1.00 55.22 C ATOM 1302 C ALA A 82 -7.498 -16.710 30.368 1.00 62.11 C ATOM 1303 O ALA A 82 -7.222 -17.691 29.684 1.00 61.44 O ATOM 1304 CB ALA A 82 -7.934 -14.632 29.019 1.00 42.14 C ATOM 0 H ALA A 82 -5.616 -15.242 28.361 1.00 54.24 H new ATOM 0 HA ALA A 82 -6.843 -14.723 30.886 1.00 55.22 H new ATOM 0 HB1 ALA A 82 -8.910 -14.542 29.497 1.00 42.14 H new ATOM 0 HB2 ALA A 82 -7.560 -13.639 28.769 1.00 42.14 H new ATOM 0 HB3 ALA A 82 -8.029 -15.223 28.108 1.00 42.14 H new ATOM 1310 N ASP A 83 -8.305 -16.875 31.455 1.00 74.20 N ATOM 1311 CA ASP A 83 -9.104 -18.079 31.557 1.00 21.43 C ATOM 1312 C ASP A 83 -10.397 -17.930 30.802 1.00 40.24 C ATOM 1313 O ASP A 83 -10.701 -16.904 30.198 1.00 32.21 O ATOM 1314 CB ASP A 83 -9.386 -18.578 33.015 1.00 44.51 C ATOM 1315 CG ASP A 83 -10.145 -17.716 34.002 1.00 3.33 C ATOM 1316 OD1 ASP A 83 -10.601 -16.636 33.578 1.00 31.33 O ATOM 1317 OD2 ASP A 83 -10.312 -18.157 35.167 1.00 4.44 O ATOM 0 H ASP A 83 -8.402 -16.213 32.225 1.00 74.20 H new ATOM 0 HA ASP A 83 -8.486 -18.854 31.103 1.00 21.43 H new ATOM 0 HB2 ASP A 83 -9.928 -19.520 32.931 1.00 44.51 H new ATOM 0 HB3 ASP A 83 -8.420 -18.806 33.467 1.00 44.51 H new ATOM 1322 N GLU A 84 -11.225 -18.985 30.883 1.00 64.10 N ATOM 1323 CA GLU A 84 -12.556 -19.006 30.332 1.00 30.02 C ATOM 1324 C GLU A 84 -13.444 -17.991 31.019 1.00 12.24 C ATOM 1325 O GLU A 84 -14.403 -17.518 30.420 1.00 40.15 O ATOM 1326 CB GLU A 84 -13.184 -20.426 30.404 1.00 65.24 C ATOM 1327 CG GLU A 84 -13.442 -20.967 31.831 1.00 10.03 C ATOM 1328 CD GLU A 84 -14.004 -22.392 31.818 1.00 63.44 C ATOM 1329 OE1 GLU A 84 -15.162 -22.572 32.273 1.00 4.13 O ATOM 1330 OE2 GLU A 84 -13.262 -23.304 31.371 1.00 2.23 O ATOM 0 H GLU A 84 -10.966 -19.856 31.346 1.00 64.10 H new ATOM 0 HA GLU A 84 -12.476 -18.734 29.280 1.00 30.02 H new ATOM 0 HB2 GLU A 84 -14.130 -20.414 29.862 1.00 65.24 H new ATOM 0 HB3 GLU A 84 -12.527 -21.122 29.883 1.00 65.24 H new ATOM 0 HG2 GLU A 84 -12.511 -20.951 32.397 1.00 10.03 H new ATOM 0 HG3 GLU A 84 -14.140 -20.308 32.347 1.00 10.03 H new ATOM 1337 N ALA A 85 -13.122 -17.607 32.286 1.00 3.15 N ATOM 1338 CA ALA A 85 -13.895 -16.576 32.967 1.00 11.41 C ATOM 1339 C ALA A 85 -13.537 -15.174 32.489 1.00 34.33 C ATOM 1340 O ALA A 85 -14.389 -14.327 32.234 1.00 43.21 O ATOM 1341 CB ALA A 85 -13.680 -16.706 34.485 1.00 33.32 C ATOM 0 H ALA A 85 -12.350 -17.995 32.829 1.00 3.15 H new ATOM 0 HA ALA A 85 -14.948 -16.725 32.728 1.00 11.41 H new ATOM 0 HB1 ALA A 85 -14.255 -15.938 35.001 1.00 33.32 H new ATOM 0 HB2 ALA A 85 -14.010 -17.691 34.816 1.00 33.32 H new ATOM 0 HB3 ALA A 85 -12.622 -16.582 34.715 1.00 33.32 H new ATOM 1347 N MET A 86 -12.228 -14.907 32.339 1.00 63.11 N ATOM 1348 CA MET A 86 -11.669 -13.660 31.862 1.00 51.02 C ATOM 1349 C MET A 86 -11.997 -13.395 30.412 1.00 25.42 C ATOM 1350 O MET A 86 -12.266 -12.261 30.022 1.00 23.31 O ATOM 1351 CB MET A 86 -10.136 -13.621 32.021 1.00 74.24 C ATOM 1352 CG MET A 86 -9.636 -13.647 33.477 1.00 1.12 C ATOM 1353 SD MET A 86 -7.850 -13.950 33.629 1.00 30.43 S ATOM 1354 CE MET A 86 -7.860 -13.974 35.443 1.00 5.54 C ATOM 0 H MET A 86 -11.510 -15.596 32.561 1.00 63.11 H new ATOM 0 HA MET A 86 -12.126 -12.887 32.479 1.00 51.02 H new ATOM 0 HB2 MET A 86 -9.708 -14.471 31.490 1.00 74.24 H new ATOM 0 HB3 MET A 86 -9.758 -12.720 31.538 1.00 74.24 H new ATOM 0 HG2 MET A 86 -9.876 -12.696 33.952 1.00 1.12 H new ATOM 0 HG3 MET A 86 -10.175 -14.421 34.024 1.00 1.12 H new ATOM 0 HE1 MET A 86 -6.836 -14.025 35.812 1.00 5.54 H new ATOM 0 HE2 MET A 86 -8.336 -13.067 35.816 1.00 5.54 H new ATOM 0 HE3 MET A 86 -8.415 -14.845 35.792 1.00 5.54 H new ATOM 1364 N ALA A 87 -11.963 -14.447 29.570 1.00 43.53 N ATOM 1365 CA ALA A 87 -12.262 -14.336 28.160 1.00 13.43 C ATOM 1366 C ALA A 87 -13.687 -13.877 27.888 1.00 30.25 C ATOM 1367 O ALA A 87 -13.930 -12.910 27.166 1.00 70.43 O ATOM 1368 CB ALA A 87 -12.016 -15.694 27.470 1.00 20.23 C ATOM 0 H ALA A 87 -11.725 -15.393 29.867 1.00 43.53 H new ATOM 0 HA ALA A 87 -11.598 -13.573 27.753 1.00 13.43 H new ATOM 0 HB1 ALA A 87 -12.242 -15.608 26.407 1.00 20.23 H new ATOM 0 HB2 ALA A 87 -10.973 -15.983 27.597 1.00 20.23 H new ATOM 0 HB3 ALA A 87 -12.659 -16.451 27.918 1.00 20.23 H new ATOM 1374 N LYS A 88 -14.673 -14.515 28.557 1.00 3.45 N ATOM 1375 CA LYS A 88 -16.065 -14.112 28.496 1.00 42.41 C ATOM 1376 C LYS A 88 -16.290 -12.774 29.159 1.00 62.21 C ATOM 1377 O LYS A 88 -17.128 -12.002 28.709 1.00 15.02 O ATOM 1378 CB LYS A 88 -17.040 -15.203 29.042 1.00 43.31 C ATOM 1379 CG LYS A 88 -16.906 -15.613 30.522 1.00 31.21 C ATOM 1380 CD LYS A 88 -17.694 -14.790 31.561 1.00 63.44 C ATOM 1381 CE LYS A 88 -19.085 -15.328 31.909 1.00 44.23 C ATOM 1382 NZ LYS A 88 -20.011 -15.222 30.766 1.00 53.14 N ATOM 0 H LYS A 88 -14.508 -15.326 29.153 1.00 3.45 H new ATOM 0 HA LYS A 88 -16.302 -13.997 27.438 1.00 42.41 H new ATOM 0 HB2 LYS A 88 -18.059 -14.851 28.883 1.00 43.31 H new ATOM 0 HB3 LYS A 88 -16.914 -16.099 28.434 1.00 43.31 H new ATOM 0 HG2 LYS A 88 -17.216 -16.654 30.612 1.00 31.21 H new ATOM 0 HG3 LYS A 88 -15.850 -15.570 30.789 1.00 31.21 H new ATOM 0 HD2 LYS A 88 -17.105 -14.734 32.477 1.00 63.44 H new ATOM 0 HD3 LYS A 88 -17.800 -13.772 31.187 1.00 63.44 H new ATOM 0 HE2 LYS A 88 -19.006 -16.370 32.218 1.00 44.23 H new ATOM 0 HE3 LYS A 88 -19.488 -14.774 32.757 1.00 44.23 H new ATOM 0 HZ1 LYS A 88 -20.956 -15.548 31.053 1.00 53.14 H new ATOM 0 HZ2 LYS A 88 -20.067 -14.231 30.455 1.00 53.14 H new ATOM 0 HZ3 LYS A 88 -19.665 -15.812 29.983 1.00 53.14 H new ATOM 1396 N GLN A 89 -15.502 -12.425 30.202 1.00 44.14 N ATOM 1397 CA GLN A 89 -15.486 -11.100 30.778 1.00 32.42 C ATOM 1398 C GLN A 89 -15.064 -9.981 29.847 1.00 0.15 C ATOM 1399 O GLN A 89 -15.750 -8.964 29.813 1.00 51.34 O ATOM 1400 CB GLN A 89 -14.630 -11.049 32.064 1.00 43.41 C ATOM 1401 CG GLN A 89 -14.530 -9.641 32.682 1.00 24.03 C ATOM 1402 CD GLN A 89 -14.037 -9.658 34.127 1.00 31.43 C ATOM 1403 OE1 GLN A 89 -14.701 -9.161 35.039 1.00 24.33 O ATOM 1404 NE2 GLN A 89 -12.838 -10.246 34.351 1.00 11.01 N ATOM 0 H GLN A 89 -14.861 -13.075 30.657 1.00 44.14 H new ATOM 0 HA GLN A 89 -16.535 -10.914 31.009 1.00 32.42 H new ATOM 0 HB2 GLN A 89 -15.055 -11.731 32.801 1.00 43.41 H new ATOM 0 HB3 GLN A 89 -13.627 -11.409 31.837 1.00 43.41 H new ATOM 0 HG2 GLN A 89 -13.854 -9.033 32.080 1.00 24.03 H new ATOM 0 HG3 GLN A 89 -15.509 -9.163 32.643 1.00 24.03 H new ATOM 0 HE21 GLN A 89 -12.314 -10.648 33.574 1.00 11.01 H new ATOM 0 HE22 GLN A 89 -12.459 -10.287 35.297 1.00 11.01 H new ATOM 1413 N LEU A 90 -13.993 -10.100 29.023 1.00 14.43 N ATOM 1414 CA LEU A 90 -13.648 -9.069 28.086 1.00 71.44 C ATOM 1415 C LEU A 90 -14.721 -8.869 27.021 1.00 24.35 C ATOM 1416 O LEU A 90 -15.095 -7.744 26.691 1.00 73.21 O ATOM 1417 CB LEU A 90 -12.281 -9.395 27.453 1.00 35.43 C ATOM 1418 CG LEU A 90 -11.014 -9.321 28.350 1.00 1.14 C ATOM 1419 CD1 LEU A 90 -9.742 -9.614 27.524 1.00 13.31 C ATOM 1420 CD2 LEU A 90 -10.818 -8.006 29.125 1.00 33.02 C ATOM 0 H LEU A 90 -13.371 -10.908 29.009 1.00 14.43 H new ATOM 0 HA LEU A 90 -13.580 -8.124 28.626 1.00 71.44 H new ATOM 0 HB2 LEU A 90 -12.338 -10.403 27.041 1.00 35.43 H new ATOM 0 HB3 LEU A 90 -12.133 -8.716 26.614 1.00 35.43 H new ATOM 0 HG LEU A 90 -11.182 -10.088 29.106 1.00 1.14 H new ATOM 0 HD11 LEU A 90 -8.867 -9.557 28.171 1.00 13.31 H new ATOM 0 HD12 LEU A 90 -9.810 -10.613 27.093 1.00 13.31 H new ATOM 0 HD13 LEU A 90 -9.650 -8.879 26.724 1.00 13.31 H new ATOM 0 HD21 LEU A 90 -9.905 -8.065 29.717 1.00 33.02 H new ATOM 0 HD22 LEU A 90 -10.742 -7.177 28.421 1.00 33.02 H new ATOM 0 HD23 LEU A 90 -11.669 -7.843 29.786 1.00 33.02 H new ATOM 1432 N LEU A 91 -15.301 -9.971 26.505 1.00 41.42 N ATOM 1433 CA LEU A 91 -16.443 -9.913 25.607 1.00 4.40 C ATOM 1434 C LEU A 91 -17.685 -9.311 26.295 1.00 72.43 C ATOM 1435 O LEU A 91 -18.399 -8.499 25.707 1.00 70.22 O ATOM 1436 CB LEU A 91 -16.688 -11.333 25.024 1.00 34.53 C ATOM 1437 CG LEU A 91 -15.579 -11.801 24.039 1.00 61.22 C ATOM 1438 CD1 LEU A 91 -15.354 -13.316 24.085 1.00 73.42 C ATOM 1439 CD2 LEU A 91 -15.899 -11.428 22.587 1.00 71.12 C ATOM 0 H LEU A 91 -14.982 -10.919 26.706 1.00 41.42 H new ATOM 0 HA LEU A 91 -16.230 -9.236 24.779 1.00 4.40 H new ATOM 0 HB2 LEU A 91 -16.758 -12.047 25.845 1.00 34.53 H new ATOM 0 HB3 LEU A 91 -17.648 -11.344 24.509 1.00 34.53 H new ATOM 0 HG LEU A 91 -14.678 -11.284 24.369 1.00 61.22 H new ATOM 0 HD11 LEU A 91 -14.570 -13.589 23.379 1.00 73.42 H new ATOM 0 HD12 LEU A 91 -15.054 -13.609 25.091 1.00 73.42 H new ATOM 0 HD13 LEU A 91 -16.278 -13.829 23.818 1.00 73.42 H new ATOM 0 HD21 LEU A 91 -15.096 -11.775 21.937 1.00 71.12 H new ATOM 0 HD22 LEU A 91 -16.836 -11.898 22.289 1.00 71.12 H new ATOM 0 HD23 LEU A 91 -15.992 -10.345 22.502 1.00 71.12 H new ATOM 1451 N ASP A 92 -17.949 -9.650 27.585 1.00 41.33 N ATOM 1452 CA ASP A 92 -19.021 -9.088 28.397 1.00 14.24 C ATOM 1453 C ASP A 92 -18.842 -7.592 28.658 1.00 14.10 C ATOM 1454 O ASP A 92 -19.803 -6.840 28.538 1.00 0.11 O ATOM 1455 CB ASP A 92 -19.146 -9.867 29.741 1.00 71.15 C ATOM 1456 CG ASP A 92 -20.373 -9.485 30.567 1.00 13.51 C ATOM 1457 OD1 ASP A 92 -21.505 -9.690 30.060 1.00 13.33 O ATOM 1458 OD2 ASP A 92 -20.180 -9.012 31.717 1.00 63.53 O ATOM 0 H ASP A 92 -17.396 -10.344 28.088 1.00 41.33 H new ATOM 0 HA ASP A 92 -19.944 -9.199 27.828 1.00 14.24 H new ATOM 0 HB2 ASP A 92 -19.182 -10.935 29.528 1.00 71.15 H new ATOM 0 HB3 ASP A 92 -18.250 -9.691 30.336 1.00 71.15 H new ATOM 1463 N ILE A 93 -17.607 -7.117 28.977 1.00 73.54 N ATOM 1464 CA ILE A 93 -17.297 -5.697 29.174 1.00 71.24 C ATOM 1465 C ILE A 93 -17.606 -4.921 27.920 1.00 31.43 C ATOM 1466 O ILE A 93 -18.249 -3.875 27.975 1.00 2.14 O ATOM 1467 CB ILE A 93 -15.823 -5.414 29.493 1.00 31.41 C ATOM 1468 CG1 ILE A 93 -15.376 -5.903 30.888 1.00 3.12 C ATOM 1469 CG2 ILE A 93 -15.499 -3.908 29.364 1.00 13.24 C ATOM 1470 CD1 ILE A 93 -13.846 -5.908 31.095 1.00 22.05 C ATOM 0 H ILE A 93 -16.799 -7.726 29.103 1.00 73.54 H new ATOM 0 HA ILE A 93 -17.908 -5.396 30.025 1.00 71.24 H new ATOM 0 HB ILE A 93 -15.264 -5.987 28.752 1.00 31.41 H new ATOM 0 HG12 ILE A 93 -15.832 -5.268 31.647 1.00 3.12 H new ATOM 0 HG13 ILE A 93 -15.756 -6.912 31.046 1.00 3.12 H new ATOM 0 HG21 ILE A 93 -14.447 -3.741 29.596 1.00 13.24 H new ATOM 0 HG22 ILE A 93 -15.702 -3.578 28.345 1.00 13.24 H new ATOM 0 HG23 ILE A 93 -16.119 -3.342 30.059 1.00 13.24 H new ATOM 0 HD11 ILE A 93 -13.616 -6.264 32.099 1.00 22.05 H new ATOM 0 HD12 ILE A 93 -13.382 -6.567 30.361 1.00 22.05 H new ATOM 0 HD13 ILE A 93 -13.459 -4.897 30.971 1.00 22.05 H new ATOM 1482 N LYS A 94 -17.195 -5.442 26.743 1.00 65.13 N ATOM 1483 CA LYS A 94 -17.455 -4.806 25.477 1.00 12.34 C ATOM 1484 C LYS A 94 -18.918 -4.643 25.237 1.00 4.10 C ATOM 1485 O LYS A 94 -19.409 -3.537 25.043 1.00 13.32 O ATOM 1486 CB LYS A 94 -16.902 -5.674 24.314 1.00 22.04 C ATOM 1487 CG LYS A 94 -17.348 -5.153 22.944 1.00 32.45 C ATOM 1488 CD LYS A 94 -16.955 -5.963 21.708 1.00 23.24 C ATOM 1489 CE LYS A 94 -17.796 -5.394 20.576 1.00 44.14 C ATOM 1490 NZ LYS A 94 -17.335 -5.837 19.255 1.00 54.23 N ATOM 0 H LYS A 94 -16.675 -6.316 26.667 1.00 65.13 H new ATOM 0 HA LYS A 94 -16.969 -3.831 25.511 1.00 12.34 H new ATOM 0 HB2 LYS A 94 -15.813 -5.688 24.359 1.00 22.04 H new ATOM 0 HB3 LYS A 94 -17.240 -6.703 24.438 1.00 22.04 H new ATOM 0 HG2 LYS A 94 -18.435 -5.068 22.956 1.00 32.45 H new ATOM 0 HG3 LYS A 94 -16.950 -4.145 22.824 1.00 32.45 H new ATOM 0 HD2 LYS A 94 -15.890 -5.866 21.495 1.00 23.24 H new ATOM 0 HD3 LYS A 94 -17.155 -7.025 21.853 1.00 23.24 H new ATOM 0 HE2 LYS A 94 -18.835 -5.693 20.714 1.00 44.14 H new ATOM 0 HE3 LYS A 94 -17.770 -4.305 20.620 1.00 44.14 H new ATOM 0 HZ1 LYS A 94 -17.839 -5.307 18.516 1.00 54.23 H new ATOM 0 HZ2 LYS A 94 -16.313 -5.666 19.169 1.00 54.23 H new ATOM 0 HZ3 LYS A 94 -17.526 -6.853 19.143 1.00 54.23 H new ATOM 1504 N HIS A 95 -19.686 -5.734 25.328 1.00 55.22 N ATOM 1505 CA HIS A 95 -21.068 -5.674 24.937 1.00 52.22 C ATOM 1506 C HIS A 95 -21.871 -4.870 25.956 1.00 72.23 C ATOM 1507 O HIS A 95 -22.863 -4.228 25.618 1.00 32.52 O ATOM 1508 CB HIS A 95 -21.608 -7.101 24.787 1.00 35.22 C ATOM 1509 CG HIS A 95 -20.987 -7.842 23.633 1.00 54.25 C ATOM 1510 ND1 HIS A 95 -21.171 -9.182 23.436 1.00 13.20 N ATOM 1511 CD2 HIS A 95 -20.195 -7.404 22.629 1.00 52.23 C ATOM 1512 CE1 HIS A 95 -20.513 -9.546 22.350 1.00 72.35 C ATOM 1513 NE2 HIS A 95 -19.912 -8.486 21.841 1.00 4.12 N ATOM 0 H HIS A 95 -19.368 -6.643 25.663 1.00 55.22 H new ATOM 0 HA HIS A 95 -21.163 -5.166 23.977 1.00 52.22 H new ATOM 0 HB2 HIS A 95 -21.424 -7.653 25.709 1.00 35.22 H new ATOM 0 HB3 HIS A 95 -22.689 -7.063 24.649 1.00 35.22 H new ATOM 0 HD2 HIS A 95 -19.851 -6.392 22.478 1.00 52.23 H new ATOM 0 HE1 HIS A 95 -20.473 -10.546 21.945 1.00 72.35 H new ATOM 0 HE2 HIS A 95 -19.334 -8.476 21.001 1.00 4.12 H new ATOM 1522 N SER A 96 -21.410 -4.851 27.237 1.00 63.42 N ATOM 1523 CA SER A 96 -21.963 -4.015 28.299 1.00 55.42 C ATOM 1524 C SER A 96 -21.745 -2.543 28.053 1.00 52.52 C ATOM 1525 O SER A 96 -22.586 -1.697 28.325 1.00 53.11 O ATOM 1526 CB SER A 96 -21.338 -4.347 29.675 1.00 55.54 C ATOM 1527 OG SER A 96 -21.959 -3.660 30.763 1.00 13.10 O ATOM 0 H SER A 96 -20.631 -5.431 27.549 1.00 63.42 H new ATOM 0 HA SER A 96 -23.031 -4.233 28.300 1.00 55.42 H new ATOM 0 HB2 SER A 96 -21.407 -5.421 29.847 1.00 55.54 H new ATOM 0 HB3 SER A 96 -20.278 -4.095 29.654 1.00 55.54 H new ATOM 0 HG SER A 96 -21.521 -3.913 31.602 1.00 13.10 H new ATOM 1533 N CYS A 97 -20.550 -2.195 27.571 1.00 61.23 N ATOM 1534 CA CYS A 97 -20.195 -0.854 27.183 1.00 32.42 C ATOM 1535 C CYS A 97 -20.930 -0.350 25.964 1.00 12.51 C ATOM 1536 O CYS A 97 -21.294 0.820 25.899 1.00 25.12 O ATOM 1537 CB CYS A 97 -18.674 -0.713 27.045 1.00 1.22 C ATOM 1538 SG CYS A 97 -17.809 -0.484 28.619 1.00 73.03 S ATOM 0 H CYS A 97 -19.792 -2.865 27.442 1.00 61.23 H new ATOM 0 HA CYS A 97 -20.528 -0.203 27.992 1.00 32.42 H new ATOM 0 HB2 CYS A 97 -18.280 -1.602 26.552 1.00 1.22 H new ATOM 0 HB3 CYS A 97 -18.456 0.135 26.396 1.00 1.22 H new ATOM 1543 N GLU A 98 -21.215 -1.229 24.981 1.00 50.05 N ATOM 1544 CA GLU A 98 -21.850 -0.889 23.711 1.00 44.00 C ATOM 1545 C GLU A 98 -23.224 -0.283 23.880 1.00 1.02 C ATOM 1546 O GLU A 98 -23.674 0.503 23.054 1.00 64.43 O ATOM 1547 CB GLU A 98 -21.973 -2.148 22.817 1.00 51.20 C ATOM 1548 CG GLU A 98 -20.613 -2.644 22.278 1.00 53.40 C ATOM 1549 CD GLU A 98 -20.129 -1.873 21.048 1.00 70.42 C ATOM 1550 OE1 GLU A 98 -19.932 -0.636 21.145 1.00 72.14 O ATOM 1551 OE2 GLU A 98 -19.952 -2.532 19.990 1.00 51.25 O ATOM 0 H GLU A 98 -20.999 -2.223 25.061 1.00 50.05 H new ATOM 0 HA GLU A 98 -21.209 -0.142 23.242 1.00 44.00 H new ATOM 0 HB2 GLU A 98 -22.444 -2.948 23.389 1.00 51.20 H new ATOM 0 HB3 GLU A 98 -22.631 -1.927 21.977 1.00 51.20 H new ATOM 0 HG2 GLU A 98 -19.866 -2.561 23.067 1.00 53.40 H new ATOM 0 HG3 GLU A 98 -20.694 -3.701 22.026 1.00 53.40 H new ATOM 1558 N LYS A 99 -23.925 -0.659 24.962 1.00 54.34 N ATOM 1559 CA LYS A 99 -25.266 -0.180 25.226 1.00 44.42 C ATOM 1560 C LYS A 99 -25.267 1.137 25.992 1.00 32.13 C ATOM 1561 O LYS A 99 -26.270 1.848 25.990 1.00 74.35 O ATOM 1562 CB LYS A 99 -26.087 -1.267 25.972 1.00 54.43 C ATOM 1563 CG LYS A 99 -25.695 -1.498 27.438 1.00 44.04 C ATOM 1564 CD LYS A 99 -25.831 -2.955 27.915 1.00 20.04 C ATOM 1565 CE LYS A 99 -27.268 -3.475 27.914 1.00 44.10 C ATOM 1566 NZ LYS A 99 -27.294 -4.858 28.431 1.00 23.23 N ATOM 0 H LYS A 99 -23.568 -1.302 25.669 1.00 54.34 H new ATOM 0 HA LYS A 99 -25.742 0.019 24.266 1.00 44.42 H new ATOM 0 HB2 LYS A 99 -27.141 -0.992 25.935 1.00 54.43 H new ATOM 0 HB3 LYS A 99 -25.984 -2.209 25.433 1.00 54.43 H new ATOM 0 HG2 LYS A 99 -24.663 -1.178 27.579 1.00 44.04 H new ATOM 0 HG3 LYS A 99 -26.315 -0.863 28.071 1.00 44.04 H new ATOM 0 HD2 LYS A 99 -25.223 -3.595 27.275 1.00 20.04 H new ATOM 0 HD3 LYS A 99 -25.426 -3.036 28.924 1.00 20.04 H new ATOM 0 HE2 LYS A 99 -27.898 -2.834 28.530 1.00 44.10 H new ATOM 0 HE3 LYS A 99 -27.675 -3.446 26.903 1.00 44.10 H new ATOM 0 HZ1 LYS A 99 -28.272 -5.211 28.430 1.00 23.23 H new ATOM 0 HZ2 LYS A 99 -26.706 -5.466 27.826 1.00 23.23 H new ATOM 0 HZ3 LYS A 99 -26.922 -4.873 29.402 1.00 23.23 H new ATOM 1580 N VAL A 100 -24.143 1.499 26.672 1.00 23.31 N ATOM 1581 CA VAL A 100 -24.063 2.686 27.503 1.00 60.15 C ATOM 1582 C VAL A 100 -23.357 3.813 26.780 1.00 5.11 C ATOM 1583 O VAL A 100 -23.655 4.986 26.999 1.00 22.13 O ATOM 1584 CB VAL A 100 -23.378 2.441 28.851 1.00 21.41 C ATOM 1585 CG1 VAL A 100 -24.176 1.361 29.592 1.00 31.33 C ATOM 1586 CG2 VAL A 100 -21.904 2.030 28.751 1.00 31.33 C ATOM 0 H VAL A 100 -23.277 0.960 26.645 1.00 23.31 H new ATOM 0 HA VAL A 100 -25.096 2.967 27.708 1.00 60.15 H new ATOM 0 HB VAL A 100 -23.371 3.388 29.390 1.00 21.41 H new ATOM 0 HG11 VAL A 100 -23.712 1.164 30.558 1.00 31.33 H new ATOM 0 HG12 VAL A 100 -25.199 1.705 29.745 1.00 31.33 H new ATOM 0 HG13 VAL A 100 -24.185 0.445 29.001 1.00 31.33 H new ATOM 0 HG21 VAL A 100 -21.500 1.878 29.752 1.00 31.33 H new ATOM 0 HG22 VAL A 100 -21.822 1.104 28.182 1.00 31.33 H new ATOM 0 HG23 VAL A 100 -21.340 2.816 28.248 1.00 31.33 H new ATOM 1596 N ILE A 101 -22.401 3.483 25.884 1.00 70.13 N ATOM 1597 CA ILE A 101 -21.719 4.472 25.062 1.00 54.01 C ATOM 1598 C ILE A 101 -22.585 5.099 23.987 1.00 72.43 C ATOM 1599 O ILE A 101 -23.560 4.529 23.501 1.00 70.21 O ATOM 1600 CB ILE A 101 -20.458 3.961 24.388 1.00 22.14 C ATOM 1601 CG1 ILE A 101 -20.706 2.771 23.435 1.00 1.10 C ATOM 1602 CG2 ILE A 101 -19.402 3.635 25.462 1.00 24.10 C ATOM 1603 CD1 ILE A 101 -19.967 2.934 22.111 1.00 35.35 C ATOM 0 H ILE A 101 -22.091 2.525 25.721 1.00 70.13 H new ATOM 0 HA ILE A 101 -21.456 5.229 25.801 1.00 54.01 H new ATOM 0 HB ILE A 101 -20.082 4.755 23.743 1.00 22.14 H new ATOM 0 HG12 ILE A 101 -20.386 1.848 23.917 1.00 1.10 H new ATOM 0 HG13 ILE A 101 -21.775 2.676 23.244 1.00 1.10 H new ATOM 0 HG21 ILE A 101 -18.495 3.268 24.981 1.00 24.10 H new ATOM 0 HG22 ILE A 101 -19.172 4.536 26.031 1.00 24.10 H new ATOM 0 HG23 ILE A 101 -19.791 2.871 26.135 1.00 24.10 H new ATOM 0 HD11 ILE A 101 -20.170 2.074 21.473 1.00 35.35 H new ATOM 0 HD12 ILE A 101 -20.306 3.843 21.614 1.00 35.35 H new ATOM 0 HD13 ILE A 101 -18.895 3.001 22.298 1.00 35.35 H new ATOM 1615 N THR A 102 -22.207 6.326 23.554 1.00 74.11 N ATOM 1616 CA THR A 102 -22.731 6.891 22.319 1.00 54.22 C ATOM 1617 C THR A 102 -22.221 6.158 21.101 1.00 32.51 C ATOM 1618 O THR A 102 -21.018 6.011 20.882 1.00 2.32 O ATOM 1619 CB THR A 102 -22.477 8.388 22.162 1.00 62.30 C ATOM 1620 OG1 THR A 102 -23.142 9.110 23.191 1.00 34.03 O ATOM 1621 CG2 THR A 102 -22.948 8.938 20.797 1.00 50.11 C ATOM 0 H THR A 102 -21.547 6.927 24.047 1.00 74.11 H new ATOM 0 HA THR A 102 -23.810 6.757 22.395 1.00 54.22 H new ATOM 0 HB THR A 102 -21.397 8.523 22.228 1.00 62.30 H new ATOM 0 HG1 THR A 102 -22.971 10.069 23.081 1.00 34.03 H new ATOM 0 HG21 THR A 102 -22.741 10.007 20.744 1.00 50.11 H new ATOM 0 HG22 THR A 102 -22.416 8.426 19.995 1.00 50.11 H new ATOM 0 HG23 THR A 102 -24.019 8.770 20.687 1.00 50.11 H new ATOM 1629 N ILE A 103 -23.186 5.729 20.267 1.00 11.11 N ATOM 1630 CA ILE A 103 -23.067 5.085 19.000 1.00 3.21 C ATOM 1631 C ILE A 103 -23.536 6.119 18.048 1.00 1.12 C ATOM 1632 O ILE A 103 -24.575 6.748 18.248 1.00 44.11 O ATOM 1633 CB ILE A 103 -23.936 3.856 18.818 1.00 63.32 C ATOM 1634 CG1 ILE A 103 -23.523 2.793 19.853 1.00 53.11 C ATOM 1635 CG2 ILE A 103 -23.940 3.355 17.345 1.00 4.24 C ATOM 1636 CD1 ILE A 103 -24.365 1.530 19.769 1.00 1.14 C ATOM 0 H ILE A 103 -24.167 5.852 20.518 1.00 11.11 H new ATOM 0 HA ILE A 103 -22.045 4.729 18.868 1.00 3.21 H new ATOM 0 HB ILE A 103 -24.979 4.107 19.010 1.00 63.32 H new ATOM 0 HG12 ILE A 103 -22.474 2.536 19.704 1.00 53.11 H new ATOM 0 HG13 ILE A 103 -23.608 3.215 20.854 1.00 53.11 H new ATOM 0 HG21 ILE A 103 -24.575 2.473 17.262 1.00 4.24 H new ATOM 0 HG22 ILE A 103 -24.324 4.141 16.694 1.00 4.24 H new ATOM 0 HG23 ILE A 103 -22.924 3.099 17.045 1.00 4.24 H new ATOM 0 HD11 ILE A 103 -24.028 0.817 20.522 1.00 1.14 H new ATOM 0 HD12 ILE A 103 -25.411 1.778 19.946 1.00 1.14 H new ATOM 0 HD13 ILE A 103 -24.260 1.088 18.778 1.00 1.14 H new ATOM 1648 N VAL A 104 -22.760 6.321 16.987 1.00 42.22 N ATOM 1649 CA VAL A 104 -23.123 7.267 15.985 1.00 63.43 C ATOM 1650 C VAL A 104 -23.416 6.456 14.747 1.00 61.44 C ATOM 1651 O VAL A 104 -22.604 5.650 14.300 1.00 3.43 O ATOM 1652 CB VAL A 104 -22.014 8.194 15.646 1.00 44.22 C ATOM 1653 CG1 VAL A 104 -22.448 9.276 14.704 1.00 31.55 C ATOM 1654 CG2 VAL A 104 -21.279 8.790 16.840 1.00 35.22 C ATOM 0 H VAL A 104 -21.880 5.834 16.816 1.00 42.22 H new ATOM 0 HA VAL A 104 -23.960 7.865 16.344 1.00 63.43 H new ATOM 0 HB VAL A 104 -21.288 7.554 15.144 1.00 44.22 H new ATOM 0 HG11 VAL A 104 -21.603 9.929 14.486 1.00 31.55 H new ATOM 0 HG12 VAL A 104 -22.810 8.829 13.778 1.00 31.55 H new ATOM 0 HG13 VAL A 104 -23.247 9.858 15.162 1.00 31.55 H new ATOM 0 HG21 VAL A 104 -20.488 9.452 16.487 1.00 35.22 H new ATOM 0 HG22 VAL A 104 -21.980 9.356 17.453 1.00 35.22 H new ATOM 0 HG23 VAL A 104 -20.842 7.988 17.435 1.00 35.22 H new ATOM 1664 N ALA A 105 -24.584 6.687 14.140 1.00 51.32 N ATOM 1665 CA ALA A 105 -24.933 6.133 12.853 1.00 32.33 C ATOM 1666 C ALA A 105 -24.036 6.581 11.705 1.00 1.10 C ATOM 1667 O ALA A 105 -23.584 5.780 10.892 1.00 44.13 O ATOM 1668 CB ALA A 105 -26.387 6.500 12.514 1.00 4.51 C ATOM 0 H ALA A 105 -25.315 7.273 14.544 1.00 51.32 H new ATOM 0 HA ALA A 105 -24.797 5.056 12.950 1.00 32.33 H new ATOM 0 HB1 ALA A 105 -26.651 6.082 11.543 1.00 4.51 H new ATOM 0 HB2 ALA A 105 -27.052 6.094 13.276 1.00 4.51 H new ATOM 0 HB3 ALA A 105 -26.491 7.585 12.482 1.00 4.51 H new ATOM 1674 N ASP A 106 -23.751 7.898 11.637 1.00 3.33 N ATOM 1675 CA ASP A 106 -22.853 8.514 10.682 1.00 21.44 C ATOM 1676 C ASP A 106 -21.391 8.102 10.823 1.00 34.23 C ATOM 1677 O ASP A 106 -20.667 8.010 9.835 1.00 42.40 O ATOM 1678 CB ASP A 106 -22.962 10.059 10.758 1.00 64.02 C ATOM 1679 CG ASP A 106 -24.340 10.511 10.290 1.00 34.01 C ATOM 1680 OD1 ASP A 106 -24.669 10.279 9.099 1.00 23.55 O ATOM 1681 OD2 ASP A 106 -25.076 11.081 11.136 1.00 65.13 O ATOM 0 H ASP A 106 -24.165 8.574 12.279 1.00 3.33 H new ATOM 0 HA ASP A 106 -23.179 8.148 9.708 1.00 21.44 H new ATOM 0 HB2 ASP A 106 -22.789 10.394 11.781 1.00 64.02 H new ATOM 0 HB3 ASP A 106 -22.191 10.517 10.138 1.00 64.02 H new ATOM 1686 N ASP A 107 -20.910 7.923 12.070 1.00 61.24 N ATOM 1687 CA ASP A 107 -19.494 7.907 12.373 1.00 21.42 C ATOM 1688 C ASP A 107 -19.170 6.646 13.178 1.00 33.43 C ATOM 1689 O ASP A 107 -19.236 6.703 14.406 1.00 13.13 O ATOM 1690 CB ASP A 107 -19.142 9.197 13.174 1.00 74.21 C ATOM 1691 CG ASP A 107 -17.650 9.459 13.316 1.00 65.34 C ATOM 1692 OD1 ASP A 107 -16.999 8.705 14.084 1.00 41.53 O ATOM 1693 OD2 ASP A 107 -17.152 10.416 12.671 1.00 15.30 O ATOM 0 H ASP A 107 -21.507 7.787 12.886 1.00 61.24 H new ATOM 0 HA ASP A 107 -18.900 7.891 11.459 1.00 21.42 H new ATOM 0 HB2 ASP A 107 -19.604 10.053 12.682 1.00 74.21 H new ATOM 0 HB3 ASP A 107 -19.582 9.125 14.168 1.00 74.21 H new ATOM 1698 N PRO A 108 -18.781 5.507 12.610 1.00 52.13 N ATOM 1699 CA PRO A 108 -18.485 4.299 13.381 1.00 51.41 C ATOM 1700 C PRO A 108 -17.222 4.435 14.215 1.00 71.11 C ATOM 1701 O PRO A 108 -16.973 3.595 15.079 1.00 21.22 O ATOM 1702 CB PRO A 108 -18.340 3.213 12.302 1.00 74.34 C ATOM 1703 CG PRO A 108 -17.867 3.975 11.061 1.00 1.34 C ATOM 1704 CD PRO A 108 -18.649 5.285 11.166 1.00 13.04 C ATOM 0 HA PRO A 108 -19.262 4.075 14.112 1.00 51.41 H new ATOM 0 HB2 PRO A 108 -17.620 2.450 12.599 1.00 74.34 H new ATOM 0 HB3 PRO A 108 -19.287 2.704 12.120 1.00 74.34 H new ATOM 0 HG2 PRO A 108 -16.790 4.142 11.072 1.00 1.34 H new ATOM 0 HG3 PRO A 108 -18.096 3.437 10.141 1.00 1.34 H new ATOM 0 HD2 PRO A 108 -18.119 6.106 10.683 1.00 13.04 H new ATOM 0 HD3 PRO A 108 -19.623 5.208 10.684 1.00 13.04 H new ATOM 1712 N CYS A 109 -16.395 5.469 13.953 1.00 12.11 N ATOM 1713 CA CYS A 109 -15.141 5.710 14.622 1.00 61.11 C ATOM 1714 C CYS A 109 -15.376 6.138 16.063 1.00 35.23 C ATOM 1715 O CYS A 109 -14.740 5.629 16.983 1.00 73.24 O ATOM 1716 CB CYS A 109 -14.326 6.778 13.860 1.00 20.22 C ATOM 1717 SG CYS A 109 -13.985 6.284 12.137 1.00 45.01 S ATOM 0 H CYS A 109 -16.607 6.170 13.243 1.00 12.11 H new ATOM 0 HA CYS A 109 -14.569 4.782 14.634 1.00 61.11 H new ATOM 0 HB2 CYS A 109 -14.872 7.721 13.865 1.00 20.22 H new ATOM 0 HB3 CYS A 109 -13.384 6.953 14.379 1.00 20.22 H new ATOM 1722 N GLN A 110 -16.361 7.044 16.304 1.00 72.45 N ATOM 1723 CA GLN A 110 -16.810 7.430 17.638 1.00 60.23 C ATOM 1724 C GLN A 110 -17.364 6.250 18.379 1.00 1.12 C ATOM 1725 O GLN A 110 -16.978 6.016 19.516 1.00 11.43 O ATOM 1726 CB GLN A 110 -17.913 8.527 17.619 1.00 21.02 C ATOM 1727 CG GLN A 110 -17.561 9.825 18.383 1.00 1.33 C ATOM 1728 CD GLN A 110 -16.787 10.781 17.484 1.00 34.13 C ATOM 1729 OE1 GLN A 110 -17.140 11.949 17.312 1.00 12.11 O ATOM 1730 NE2 GLN A 110 -15.731 10.232 16.840 1.00 4.44 N ATOM 0 H GLN A 110 -16.862 7.524 15.556 1.00 72.45 H new ATOM 0 HA GLN A 110 -15.925 7.828 18.134 1.00 60.23 H new ATOM 0 HB2 GLN A 110 -18.132 8.782 16.582 1.00 21.02 H new ATOM 0 HB3 GLN A 110 -18.826 8.110 18.044 1.00 21.02 H new ATOM 0 HG2 GLN A 110 -18.474 10.306 18.734 1.00 1.33 H new ATOM 0 HG3 GLN A 110 -16.967 9.585 19.265 1.00 1.33 H new ATOM 0 HE21 GLN A 110 -15.476 9.260 17.015 1.00 4.44 H new ATOM 0 HE22 GLN A 110 -15.190 10.790 16.180 1.00 4.44 H new ATOM 1739 N THR A 111 -18.207 5.429 17.712 1.00 44.34 N ATOM 1740 CA THR A 111 -18.721 4.197 18.315 1.00 3.13 C ATOM 1741 C THR A 111 -17.594 3.276 18.784 1.00 74.11 C ATOM 1742 O THR A 111 -17.611 2.813 19.922 1.00 32.34 O ATOM 1743 CB THR A 111 -19.584 3.387 17.361 1.00 53.51 C ATOM 1744 OG1 THR A 111 -20.669 4.173 16.889 1.00 41.34 O ATOM 1745 CG2 THR A 111 -20.146 2.121 18.056 1.00 62.44 C ATOM 0 H THR A 111 -18.539 5.603 16.763 1.00 44.34 H new ATOM 0 HA THR A 111 -19.321 4.536 19.160 1.00 3.13 H new ATOM 0 HB THR A 111 -18.955 3.084 16.524 1.00 53.51 H new ATOM 0 HG1 THR A 111 -21.021 3.782 16.062 1.00 41.34 H new ATOM 0 HG21 THR A 111 -20.759 1.561 17.350 1.00 62.44 H new ATOM 0 HG22 THR A 111 -19.320 1.496 18.396 1.00 62.44 H new ATOM 0 HG23 THR A 111 -20.754 2.415 18.912 1.00 62.44 H new ATOM 1753 N MET A 112 -16.547 3.036 17.957 1.00 33.34 N ATOM 1754 CA MET A 112 -15.418 2.211 18.358 1.00 22.34 C ATOM 1755 C MET A 112 -14.577 2.819 19.480 1.00 64.45 C ATOM 1756 O MET A 112 -14.265 2.160 20.466 1.00 25.22 O ATOM 1757 CB MET A 112 -14.460 1.938 17.170 1.00 74.10 C ATOM 1758 CG MET A 112 -13.466 0.799 17.463 1.00 31.13 C ATOM 1759 SD MET A 112 -14.292 -0.811 17.677 1.00 12.12 S ATOM 1760 CE MET A 112 -12.895 -1.692 18.424 1.00 1.25 C ATOM 0 H MET A 112 -16.476 3.410 17.011 1.00 33.34 H new ATOM 0 HA MET A 112 -15.876 1.290 18.718 1.00 22.34 H new ATOM 0 HB2 MET A 112 -15.046 1.686 16.286 1.00 74.10 H new ATOM 0 HB3 MET A 112 -13.907 2.848 16.937 1.00 74.10 H new ATOM 0 HG2 MET A 112 -12.747 0.729 16.646 1.00 31.13 H new ATOM 0 HG3 MET A 112 -12.902 1.037 18.365 1.00 31.13 H new ATOM 0 HE1 MET A 112 -13.240 -2.641 18.833 1.00 1.25 H new ATOM 0 HE2 MET A 112 -12.135 -1.879 17.665 1.00 1.25 H new ATOM 0 HE3 MET A 112 -12.468 -1.086 19.223 1.00 1.25 H new ATOM 1770 N LEU A 113 -14.201 4.112 19.361 1.00 14.21 N ATOM 1771 CA LEU A 113 -13.369 4.838 20.317 1.00 21.51 C ATOM 1772 C LEU A 113 -14.046 5.033 21.652 1.00 35.22 C ATOM 1773 O LEU A 113 -13.459 4.762 22.698 1.00 44.11 O ATOM 1774 CB LEU A 113 -12.983 6.173 19.656 1.00 40.31 C ATOM 1775 CG LEU A 113 -11.834 7.076 20.176 1.00 51.12 C ATOM 1776 CD1 LEU A 113 -12.092 8.568 19.867 1.00 1.34 C ATOM 1777 CD2 LEU A 113 -11.259 6.837 21.572 1.00 34.34 C ATOM 0 H LEU A 113 -14.483 4.688 18.568 1.00 14.21 H new ATOM 0 HA LEU A 113 -12.477 4.257 20.549 1.00 21.51 H new ATOM 0 HB2 LEU A 113 -12.751 5.946 18.615 1.00 40.31 H new ATOM 0 HB3 LEU A 113 -13.883 6.788 19.655 1.00 40.31 H new ATOM 0 HG LEU A 113 -10.995 6.718 19.579 1.00 51.12 H new ATOM 0 HD11 LEU A 113 -11.264 9.167 20.247 1.00 1.34 H new ATOM 0 HD12 LEU A 113 -12.175 8.707 18.789 1.00 1.34 H new ATOM 0 HD13 LEU A 113 -13.019 8.884 20.346 1.00 1.34 H new ATOM 0 HD21 LEU A 113 -10.466 7.559 21.768 1.00 34.34 H new ATOM 0 HD22 LEU A 113 -12.048 6.954 22.315 1.00 34.34 H new ATOM 0 HD23 LEU A 113 -10.852 5.827 21.630 1.00 34.34 H new ATOM 1789 N ASN A 114 -15.340 5.430 21.635 1.00 60.25 N ATOM 1790 CA ASN A 114 -16.159 5.603 22.828 1.00 1.02 C ATOM 1791 C ASN A 114 -16.301 4.272 23.540 1.00 11.30 C ATOM 1792 O ASN A 114 -16.200 4.191 24.763 1.00 70.31 O ATOM 1793 CB ASN A 114 -17.609 6.094 22.566 1.00 65.14 C ATOM 1794 CG ASN A 114 -17.656 7.532 22.054 1.00 20.02 C ATOM 1795 OD1 ASN A 114 -16.743 8.341 22.227 1.00 41.11 O ATOM 1796 ND2 ASN A 114 -18.796 7.862 21.391 1.00 60.12 N ATOM 0 H ASN A 114 -15.840 5.639 20.771 1.00 60.25 H new ATOM 0 HA ASN A 114 -15.638 6.365 23.408 1.00 1.02 H new ATOM 0 HB2 ASN A 114 -18.086 5.437 21.839 1.00 65.14 H new ATOM 0 HB3 ASN A 114 -18.186 6.021 23.488 1.00 65.14 H new ATOM 0 HD21 ASN A 114 -18.915 8.804 21.019 1.00 60.12 H new ATOM 0 HD22 ASN A 114 -19.532 7.167 21.266 1.00 60.12 H new ATOM 1803 N LEU A 115 -16.507 3.175 22.773 1.00 54.43 N ATOM 1804 CA LEU A 115 -16.535 1.838 23.318 1.00 34.51 C ATOM 1805 C LEU A 115 -15.226 1.443 23.924 1.00 54.21 C ATOM 1806 O LEU A 115 -15.178 0.925 25.031 1.00 0.13 O ATOM 1807 CB LEU A 115 -16.877 0.796 22.236 1.00 54.22 C ATOM 1808 CG LEU A 115 -16.917 -0.662 22.730 1.00 72.54 C ATOM 1809 CD1 LEU A 115 -15.573 -1.397 22.759 1.00 22.42 C ATOM 1810 CD2 LEU A 115 -17.749 -0.831 23.993 1.00 15.11 C ATOM 0 H LEU A 115 -16.656 3.214 21.765 1.00 54.43 H new ATOM 0 HA LEU A 115 -17.305 1.855 24.090 1.00 34.51 H new ATOM 0 HB2 LEU A 115 -17.847 1.045 21.806 1.00 54.22 H new ATOM 0 HB3 LEU A 115 -16.143 0.873 21.434 1.00 54.22 H new ATOM 0 HG LEU A 115 -17.449 -1.194 21.941 1.00 72.54 H new ATOM 0 HD11 LEU A 115 -15.722 -2.414 23.123 1.00 22.42 H new ATOM 0 HD12 LEU A 115 -15.154 -1.429 21.753 1.00 22.42 H new ATOM 0 HD13 LEU A 115 -14.885 -0.872 23.422 1.00 22.42 H new ATOM 0 HD21 LEU A 115 -17.742 -1.878 24.296 1.00 15.11 H new ATOM 0 HD22 LEU A 115 -17.327 -0.220 24.791 1.00 15.11 H new ATOM 0 HD23 LEU A 115 -18.774 -0.516 23.798 1.00 15.11 H new ATOM 1822 N ALA A 116 -14.126 1.692 23.200 1.00 75.54 N ATOM 1823 CA ALA A 116 -12.787 1.282 23.560 1.00 15.41 C ATOM 1824 C ALA A 116 -12.343 1.940 24.839 1.00 21.41 C ATOM 1825 O ALA A 116 -11.756 1.305 25.716 1.00 52.00 O ATOM 1826 CB ALA A 116 -11.778 1.608 22.442 1.00 24.23 C ATOM 0 H ALA A 116 -14.159 2.204 22.318 1.00 75.54 H new ATOM 0 HA ALA A 116 -12.814 0.202 23.705 1.00 15.41 H new ATOM 0 HB1 ALA A 116 -10.782 1.287 22.746 1.00 24.23 H new ATOM 0 HB2 ALA A 116 -12.065 1.086 21.529 1.00 24.23 H new ATOM 0 HB3 ALA A 116 -11.772 2.683 22.259 1.00 24.23 H new ATOM 1832 N MET A 117 -12.650 3.250 24.976 1.00 24.42 N ATOM 1833 CA MET A 117 -12.341 3.991 26.170 1.00 41.42 C ATOM 1834 C MET A 117 -13.248 3.563 27.333 1.00 13.44 C ATOM 1835 O MET A 117 -12.807 3.590 28.476 1.00 34.31 O ATOM 1836 CB MET A 117 -12.351 5.528 25.868 1.00 21.40 C ATOM 1837 CG MET A 117 -13.733 6.173 25.690 1.00 40.41 C ATOM 1838 SD MET A 117 -13.700 7.941 25.256 1.00 51.34 S ATOM 1839 CE MET A 117 -13.119 8.559 26.862 1.00 4.42 C ATOM 0 H MET A 117 -13.116 3.799 24.254 1.00 24.42 H new ATOM 0 HA MET A 117 -11.329 3.757 26.501 1.00 41.42 H new ATOM 0 HB2 MET A 117 -11.835 6.040 26.680 1.00 21.40 H new ATOM 0 HB3 MET A 117 -11.771 5.703 24.962 1.00 21.40 H new ATOM 0 HG2 MET A 117 -14.273 5.633 24.913 1.00 40.41 H new ATOM 0 HG3 MET A 117 -14.297 6.051 26.614 1.00 40.41 H new ATOM 0 HE1 MET A 117 -13.277 9.636 26.916 1.00 4.42 H new ATOM 0 HE2 MET A 117 -13.675 8.070 27.662 1.00 4.42 H new ATOM 0 HE3 MET A 117 -12.057 8.342 26.973 1.00 4.42 H new ATOM 1849 N CYS A 118 -14.511 3.098 27.079 1.00 44.44 N ATOM 1850 CA CYS A 118 -15.342 2.416 28.088 1.00 63.23 C ATOM 1851 C CYS A 118 -14.836 1.023 28.452 1.00 33.43 C ATOM 1852 O CYS A 118 -14.707 0.689 29.628 1.00 53.24 O ATOM 1853 CB CYS A 118 -16.835 2.302 27.653 1.00 3.03 C ATOM 1854 SG CYS A 118 -17.991 1.540 28.868 1.00 44.44 S ATOM 0 H CYS A 118 -14.966 3.191 26.171 1.00 44.44 H new ATOM 0 HA CYS A 118 -15.266 3.053 28.970 1.00 63.23 H new ATOM 0 HB2 CYS A 118 -17.199 3.302 27.417 1.00 3.03 H new ATOM 0 HB3 CYS A 118 -16.878 1.722 26.731 1.00 3.03 H new ATOM 1859 N PHE A 119 -14.483 0.181 27.452 1.00 13.31 N ATOM 1860 CA PHE A 119 -13.875 -1.123 27.659 1.00 55.11 C ATOM 1861 C PHE A 119 -12.611 -1.111 28.489 1.00 51.23 C ATOM 1862 O PHE A 119 -12.464 -1.884 29.438 1.00 52.53 O ATOM 1863 CB PHE A 119 -13.581 -1.712 26.261 1.00 40.25 C ATOM 1864 CG PHE A 119 -12.823 -3.017 26.256 1.00 31.11 C ATOM 1865 CD1 PHE A 119 -11.423 -2.976 26.099 1.00 61.40 C ATOM 1866 CD2 PHE A 119 -13.447 -4.253 26.468 1.00 54.54 C ATOM 1867 CE1 PHE A 119 -10.664 -4.147 26.156 1.00 4.11 C ATOM 1868 CE2 PHE A 119 -12.683 -5.423 26.543 1.00 72.11 C ATOM 1869 CZ PHE A 119 -11.295 -5.372 26.389 1.00 22.13 C ATOM 0 H PHE A 119 -14.622 0.408 26.467 1.00 13.31 H new ATOM 0 HA PHE A 119 -14.576 -1.728 28.234 1.00 55.11 H new ATOM 0 HB2 PHE A 119 -14.527 -1.859 25.741 1.00 40.25 H new ATOM 0 HB3 PHE A 119 -13.013 -0.979 25.688 1.00 40.25 H new ATOM 0 HD1 PHE A 119 -10.932 -2.029 25.933 1.00 61.40 H new ATOM 0 HD2 PHE A 119 -14.521 -4.303 26.574 1.00 54.54 H new ATOM 0 HE1 PHE A 119 -9.593 -4.106 26.021 1.00 4.11 H new ATOM 0 HE2 PHE A 119 -13.169 -6.371 26.721 1.00 72.11 H new ATOM 0 HZ PHE A 119 -10.711 -6.278 26.450 1.00 22.13 H new ATOM 1879 N LYS A 120 -11.684 -0.188 28.172 1.00 24.10 N ATOM 1880 CA LYS A 120 -10.465 0.015 28.893 1.00 42.23 C ATOM 1881 C LYS A 120 -10.739 0.427 30.327 1.00 3.40 C ATOM 1882 O LYS A 120 -10.009 0.076 31.253 1.00 45.53 O ATOM 1883 CB LYS A 120 -9.597 1.093 28.190 1.00 75.13 C ATOM 1884 CG LYS A 120 -8.236 1.339 28.857 1.00 40.54 C ATOM 1885 CD LYS A 120 -7.445 2.514 28.254 1.00 74.11 C ATOM 1886 CE LYS A 120 -6.173 2.826 29.048 1.00 74.34 C ATOM 1887 NZ LYS A 120 -5.660 4.159 28.682 1.00 51.30 N ATOM 0 H LYS A 120 -11.789 0.444 27.378 1.00 24.10 H new ATOM 0 HA LYS A 120 -9.922 -0.930 28.906 1.00 42.23 H new ATOM 0 HB2 LYS A 120 -9.433 0.793 27.155 1.00 75.13 H new ATOM 0 HB3 LYS A 120 -10.152 2.031 28.166 1.00 75.13 H new ATOM 0 HG2 LYS A 120 -8.392 1.527 29.919 1.00 40.54 H new ATOM 0 HG3 LYS A 120 -7.636 0.433 28.779 1.00 40.54 H new ATOM 0 HD2 LYS A 120 -7.179 2.279 27.223 1.00 74.11 H new ATOM 0 HD3 LYS A 120 -8.079 3.400 28.226 1.00 74.11 H new ATOM 0 HE2 LYS A 120 -6.384 2.790 30.117 1.00 74.34 H new ATOM 0 HE3 LYS A 120 -5.415 2.069 28.847 1.00 74.34 H new ATOM 0 HZ1 LYS A 120 -4.779 4.346 29.201 1.00 51.30 H new ATOM 0 HZ2 LYS A 120 -5.473 4.190 27.659 1.00 51.30 H new ATOM 0 HZ3 LYS A 120 -6.366 4.882 28.927 1.00 51.30 H new ATOM 1901 N ALA A 121 -11.828 1.196 30.530 1.00 3.51 N ATOM 1902 CA ALA A 121 -12.205 1.734 31.825 1.00 64.22 C ATOM 1903 C ALA A 121 -12.494 0.636 32.836 1.00 2.22 C ATOM 1904 O ALA A 121 -12.091 0.683 33.996 1.00 12.12 O ATOM 1905 CB ALA A 121 -13.449 2.634 31.680 1.00 43.25 C ATOM 0 H ALA A 121 -12.469 1.456 29.781 1.00 3.51 H new ATOM 0 HA ALA A 121 -11.361 2.317 32.192 1.00 64.22 H new ATOM 0 HB1 ALA A 121 -13.725 3.033 32.656 1.00 43.25 H new ATOM 0 HB2 ALA A 121 -13.226 3.457 31.001 1.00 43.25 H new ATOM 0 HB3 ALA A 121 -14.277 2.049 31.280 1.00 43.25 H new ATOM 1911 N GLU A 122 -13.210 -0.404 32.375 1.00 4.11 N ATOM 1912 CA GLU A 122 -13.482 -1.607 33.120 1.00 43.41 C ATOM 1913 C GLU A 122 -12.261 -2.494 33.394 1.00 11.25 C ATOM 1914 O GLU A 122 -12.040 -2.873 34.535 1.00 54.12 O ATOM 1915 CB GLU A 122 -14.608 -2.360 32.373 1.00 42.24 C ATOM 1916 CG GLU A 122 -15.998 -1.672 32.493 1.00 31.13 C ATOM 1917 CD GLU A 122 -16.599 -1.795 33.894 1.00 4.31 C ATOM 1918 OE1 GLU A 122 -16.901 -2.947 34.299 1.00 74.42 O ATOM 1919 OE2 GLU A 122 -16.771 -0.743 34.567 1.00 11.04 O ATOM 0 H GLU A 122 -13.621 -0.413 31.441 1.00 4.11 H new ATOM 0 HA GLU A 122 -13.796 -1.325 34.125 1.00 43.41 H new ATOM 0 HB2 GLU A 122 -14.342 -2.443 31.319 1.00 42.24 H new ATOM 0 HB3 GLU A 122 -14.678 -3.375 32.765 1.00 42.24 H new ATOM 0 HG2 GLU A 122 -15.900 -0.617 32.235 1.00 31.13 H new ATOM 0 HG3 GLU A 122 -16.682 -2.115 31.769 1.00 31.13 H new ATOM 1926 N ILE A 123 -11.374 -2.801 32.415 1.00 15.13 N ATOM 1927 CA ILE A 123 -10.138 -3.550 32.646 1.00 34.02 C ATOM 1928 C ILE A 123 -9.114 -2.824 33.500 1.00 41.54 C ATOM 1929 O ILE A 123 -8.280 -3.462 34.136 1.00 32.22 O ATOM 1930 CB ILE A 123 -9.480 -4.059 31.362 1.00 74.12 C ATOM 1931 CG1 ILE A 123 -8.970 -2.924 30.461 1.00 34.42 C ATOM 1932 CG2 ILE A 123 -10.472 -4.962 30.603 1.00 21.24 C ATOM 1933 CD1 ILE A 123 -8.401 -3.363 29.108 1.00 24.30 C ATOM 0 H ILE A 123 -11.508 -2.529 31.441 1.00 15.13 H new ATOM 0 HA ILE A 123 -10.480 -4.413 33.217 1.00 34.02 H new ATOM 0 HB ILE A 123 -8.600 -4.635 31.646 1.00 74.12 H new ATOM 0 HG12 ILE A 123 -9.790 -2.229 30.283 1.00 34.42 H new ATOM 0 HG13 ILE A 123 -8.198 -2.375 31.000 1.00 34.42 H new ATOM 0 HG21 ILE A 123 -10.006 -5.326 29.688 1.00 21.24 H new ATOM 0 HG22 ILE A 123 -10.747 -5.809 31.232 1.00 21.24 H new ATOM 0 HG23 ILE A 123 -11.366 -4.391 30.352 1.00 21.24 H new ATOM 0 HD11 ILE A 123 -8.070 -2.487 28.551 1.00 24.30 H new ATOM 0 HD12 ILE A 123 -7.555 -4.032 29.269 1.00 24.30 H new ATOM 0 HD13 ILE A 123 -9.172 -3.883 28.540 1.00 24.30 H new ATOM 1945 N HIS A 124 -9.187 -1.476 33.582 1.00 61.33 N ATOM 1946 CA HIS A 124 -8.439 -0.657 34.521 1.00 21.40 C ATOM 1947 C HIS A 124 -8.788 -0.993 35.968 1.00 44.11 C ATOM 1948 O HIS A 124 -7.921 -1.017 36.837 1.00 51.11 O ATOM 1949 CB HIS A 124 -8.695 0.853 34.268 1.00 44.11 C ATOM 1950 CG HIS A 124 -7.896 1.784 35.136 1.00 1.21 C ATOM 1951 ND1 HIS A 124 -6.550 1.959 34.974 1.00 1.53 N ATOM 1952 CD2 HIS A 124 -8.271 2.554 36.180 1.00 20.12 C ATOM 1953 CE1 HIS A 124 -6.120 2.809 35.888 1.00 21.53 C ATOM 1954 NE2 HIS A 124 -7.144 3.185 36.632 1.00 74.32 N ATOM 0 H HIS A 124 -9.791 -0.926 32.971 1.00 61.33 H new ATOM 0 HA HIS A 124 -7.384 -0.877 34.359 1.00 21.40 H new ATOM 0 HB2 HIS A 124 -8.474 1.074 33.224 1.00 44.11 H new ATOM 0 HB3 HIS A 124 -9.755 1.057 34.420 1.00 44.11 H new ATOM 0 HD2 HIS A 124 -9.269 2.653 36.581 1.00 20.12 H new ATOM 0 HE1 HIS A 124 -5.100 3.142 36.007 1.00 21.53 H new ATOM 0 HE2 HIS A 124 -7.102 3.838 37.414 1.00 74.32 H new ATOM 1963 N LYS A 125 -10.093 -1.229 36.259 1.00 54.40 N ATOM 1964 CA LYS A 125 -10.603 -1.417 37.610 1.00 74.15 C ATOM 1965 C LYS A 125 -10.247 -2.781 38.199 1.00 1.15 C ATOM 1966 O LYS A 125 -10.207 -2.972 39.414 1.00 13.31 O ATOM 1967 CB LYS A 125 -12.146 -1.194 37.644 1.00 42.34 C ATOM 1968 CG LYS A 125 -13.064 -2.430 37.510 1.00 11.51 C ATOM 1969 CD LYS A 125 -14.521 -2.104 37.124 1.00 42.04 C ATOM 1970 CE LYS A 125 -15.204 -1.056 38.000 1.00 31.32 C ATOM 1971 NZ LYS A 125 -16.613 -0.911 37.579 1.00 72.53 N ATOM 0 H LYS A 125 -10.816 -1.292 35.542 1.00 54.40 H new ATOM 0 HA LYS A 125 -10.114 -0.670 38.236 1.00 74.15 H new ATOM 0 HB2 LYS A 125 -12.390 -0.698 38.583 1.00 42.34 H new ATOM 0 HB3 LYS A 125 -12.400 -0.501 36.842 1.00 42.34 H new ATOM 0 HG2 LYS A 125 -12.644 -3.100 36.760 1.00 11.51 H new ATOM 0 HG3 LYS A 125 -13.064 -2.971 38.456 1.00 11.51 H new ATOM 0 HD2 LYS A 125 -14.538 -1.758 36.090 1.00 42.04 H new ATOM 0 HD3 LYS A 125 -15.105 -3.024 37.162 1.00 42.04 H new ATOM 0 HE2 LYS A 125 -15.154 -1.353 39.048 1.00 31.32 H new ATOM 0 HE3 LYS A 125 -14.687 -0.100 37.914 1.00 31.32 H new ATOM 0 HZ1 LYS A 125 -17.014 -0.048 38.000 1.00 72.53 H new ATOM 0 HZ2 LYS A 125 -16.660 -0.845 36.542 1.00 72.53 H new ATOM 0 HZ3 LYS A 125 -17.158 -1.737 37.899 1.00 72.53 H new ATOM 1985 N LEU A 126 -10.021 -3.772 37.310 1.00 62.01 N ATOM 1986 CA LEU A 126 -9.810 -5.178 37.598 1.00 43.44 C ATOM 1987 C LEU A 126 -8.502 -5.508 38.295 1.00 51.50 C ATOM 1988 O LEU A 126 -7.489 -4.822 38.191 1.00 61.22 O ATOM 1989 CB LEU A 126 -9.926 -6.024 36.299 1.00 25.10 C ATOM 1990 CG LEU A 126 -11.345 -6.005 35.684 1.00 35.31 C ATOM 1991 CD1 LEU A 126 -11.361 -6.477 34.225 1.00 50.14 C ATOM 1992 CD2 LEU A 126 -12.348 -6.827 36.506 1.00 73.31 C ATOM 0 H LEU A 126 -9.981 -3.582 36.309 1.00 62.01 H new ATOM 0 HA LEU A 126 -10.599 -5.433 38.305 1.00 43.44 H new ATOM 0 HB2 LEU A 126 -9.214 -5.649 35.564 1.00 25.10 H new ATOM 0 HB3 LEU A 126 -9.646 -7.054 36.518 1.00 25.10 H new ATOM 0 HG LEU A 126 -11.655 -4.960 35.706 1.00 35.31 H new ATOM 0 HD11 LEU A 126 -12.381 -6.444 33.843 1.00 50.14 H new ATOM 0 HD12 LEU A 126 -10.727 -5.824 33.624 1.00 50.14 H new ATOM 0 HD13 LEU A 126 -10.986 -7.499 34.169 1.00 50.14 H new ATOM 0 HD21 LEU A 126 -13.329 -6.782 36.033 1.00 73.31 H new ATOM 0 HD22 LEU A 126 -12.015 -7.864 36.554 1.00 73.31 H new ATOM 0 HD23 LEU A 126 -12.412 -6.419 37.515 1.00 73.31 H new ATOM 2004 N ASP A 127 -8.522 -6.625 39.057 1.00 44.21 N ATOM 2005 CA ASP A 127 -7.415 -7.093 39.870 1.00 55.02 C ATOM 2006 C ASP A 127 -6.463 -7.978 39.060 1.00 15.43 C ATOM 2007 O ASP A 127 -5.479 -8.487 39.590 1.00 23.24 O ATOM 2008 CB ASP A 127 -7.994 -7.836 41.112 1.00 1.14 C ATOM 2009 CG ASP A 127 -6.949 -8.139 42.188 1.00 4.31 C ATOM 2010 OD1 ASP A 127 -6.797 -9.339 42.534 1.00 62.12 O ATOM 2011 OD2 ASP A 127 -6.335 -7.166 42.695 1.00 43.53 O ATOM 0 H ASP A 127 -9.340 -7.232 39.114 1.00 44.21 H new ATOM 0 HA ASP A 127 -6.821 -6.245 40.209 1.00 55.02 H new ATOM 0 HB2 ASP A 127 -8.788 -7.231 41.549 1.00 1.14 H new ATOM 0 HB3 ASP A 127 -8.449 -8.771 40.786 1.00 1.14 H new ATOM 2016 N TRP A 128 -6.735 -8.174 37.754 1.00 12.01 N ATOM 2017 CA TRP A 128 -5.883 -8.928 36.856 1.00 72.25 C ATOM 2018 C TRP A 128 -5.691 -8.077 35.619 1.00 33.34 C ATOM 2019 O TRP A 128 -6.525 -7.224 35.314 1.00 45.13 O ATOM 2020 CB TRP A 128 -6.484 -10.313 36.462 1.00 13.15 C ATOM 2021 CG TRP A 128 -7.786 -10.211 35.689 1.00 61.15 C ATOM 2022 CD1 TRP A 128 -8.999 -9.832 36.175 1.00 43.51 C ATOM 2023 CD2 TRP A 128 -7.930 -10.328 34.263 1.00 54.21 C ATOM 2024 NE1 TRP A 128 -9.886 -9.635 35.141 1.00 40.45 N ATOM 2025 CE2 TRP A 128 -9.251 -9.941 33.955 1.00 74.22 C ATOM 2026 CE3 TRP A 128 -7.036 -10.702 33.264 1.00 52.12 C ATOM 2027 CZ2 TRP A 128 -9.694 -9.902 32.638 1.00 13.42 C ATOM 2028 CZ3 TRP A 128 -7.502 -10.720 31.943 1.00 1.51 C ATOM 2029 CH2 TRP A 128 -8.803 -10.300 31.629 1.00 50.15 C ATOM 0 H TRP A 128 -7.569 -7.801 37.301 1.00 12.01 H new ATOM 0 HA TRP A 128 -4.940 -9.145 37.358 1.00 72.25 H new ATOM 0 HB2 TRP A 128 -5.756 -10.858 35.861 1.00 13.15 H new ATOM 0 HB3 TRP A 128 -6.653 -10.897 37.367 1.00 13.15 H new ATOM 0 HD1 TRP A 128 -9.232 -9.704 37.222 1.00 43.51 H new ATOM 0 HE1 TRP A 128 -10.850 -9.316 35.236 1.00 40.45 H new ATOM 0 HE3 TRP A 128 -6.017 -10.970 33.499 1.00 52.12 H new ATOM 0 HZ2 TRP A 128 -10.695 -9.575 32.398 1.00 13.42 H new ATOM 0 HZ3 TRP A 128 -6.849 -11.063 31.154 1.00 1.51 H new ATOM 0 HH2 TRP A 128 -9.123 -10.283 30.598 1.00 50.15 H new ATOM 2040 N ALA A 129 -4.585 -8.287 34.878 1.00 3.12 N ATOM 2041 CA ALA A 129 -4.314 -7.537 33.677 1.00 32.31 C ATOM 2042 C ALA A 129 -4.359 -8.438 32.447 1.00 43.44 C ATOM 2043 O ALA A 129 -3.550 -9.365 32.365 1.00 70.34 O ATOM 2044 CB ALA A 129 -2.934 -6.865 33.766 1.00 42.45 C ATOM 0 H ALA A 129 -3.872 -8.979 35.108 1.00 3.12 H new ATOM 0 HA ALA A 129 -5.085 -6.773 33.581 1.00 32.31 H new ATOM 0 HB1 ALA A 129 -2.744 -6.302 32.852 1.00 42.45 H new ATOM 0 HB2 ALA A 129 -2.913 -6.188 34.620 1.00 42.45 H new ATOM 0 HB3 ALA A 129 -2.165 -7.628 33.889 1.00 42.45 H new ATOM 2050 N PRO A 130 -5.231 -8.241 31.454 1.00 62.33 N ATOM 2051 CA PRO A 130 -4.988 -8.713 30.092 1.00 14.44 C ATOM 2052 C PRO A 130 -3.864 -7.890 29.484 1.00 23.42 C ATOM 2053 O PRO A 130 -3.661 -6.735 29.859 1.00 54.35 O ATOM 2054 CB PRO A 130 -6.327 -8.456 29.386 1.00 5.34 C ATOM 2055 CG PRO A 130 -6.923 -7.247 30.114 1.00 11.24 C ATOM 2056 CD PRO A 130 -6.444 -7.416 31.553 1.00 34.30 C ATOM 0 HA PRO A 130 -4.685 -9.758 30.019 1.00 14.44 H new ATOM 0 HB2 PRO A 130 -6.182 -8.248 28.326 1.00 5.34 H new ATOM 0 HB3 PRO A 130 -6.984 -9.323 29.454 1.00 5.34 H new ATOM 0 HG2 PRO A 130 -6.573 -6.309 29.684 1.00 11.24 H new ATOM 0 HG3 PRO A 130 -8.011 -7.240 30.053 1.00 11.24 H new ATOM 0 HD2 PRO A 130 -6.229 -6.452 32.014 1.00 34.30 H new ATOM 0 HD3 PRO A 130 -7.203 -7.901 32.167 1.00 34.30 H new ATOM 2064 N THR A 131 -3.108 -8.466 28.530 1.00 11.24 N ATOM 2065 CA THR A 131 -2.126 -7.728 27.753 1.00 40.33 C ATOM 2066 C THR A 131 -2.889 -7.067 26.628 1.00 51.42 C ATOM 2067 O THR A 131 -4.040 -7.415 26.365 1.00 43.41 O ATOM 2068 CB THR A 131 -0.988 -8.582 27.178 1.00 61.43 C ATOM 2069 OG1 THR A 131 -1.361 -9.457 26.118 1.00 63.43 O ATOM 2070 CG2 THR A 131 -0.485 -9.502 28.297 1.00 72.24 C ATOM 0 H THR A 131 -3.170 -9.454 28.286 1.00 11.24 H new ATOM 0 HA THR A 131 -1.629 -7.018 28.415 1.00 40.33 H new ATOM 0 HB THR A 131 -0.259 -7.872 26.789 1.00 61.43 H new ATOM 0 HG1 THR A 131 -0.575 -9.957 25.815 1.00 63.43 H new ATOM 0 HG21 THR A 131 0.327 -10.124 27.919 1.00 72.24 H new ATOM 0 HG22 THR A 131 -0.123 -8.898 29.129 1.00 72.24 H new ATOM 0 HG23 THR A 131 -1.301 -10.139 28.639 1.00 72.24 H new ATOM 2078 N LEU A 132 -2.277 -6.118 25.887 1.00 30.15 N ATOM 2079 CA LEU A 132 -2.952 -5.472 24.775 1.00 62.44 C ATOM 2080 C LEU A 132 -3.332 -6.450 23.682 1.00 50.23 C ATOM 2081 O LEU A 132 -4.385 -6.300 23.074 1.00 32.14 O ATOM 2082 CB LEU A 132 -2.147 -4.296 24.154 1.00 60.02 C ATOM 2083 CG LEU A 132 -2.024 -3.029 25.041 1.00 55.11 C ATOM 2084 CD1 LEU A 132 -3.391 -2.542 25.555 1.00 24.53 C ATOM 2085 CD2 LEU A 132 -1.019 -3.159 26.199 1.00 12.13 C ATOM 0 H LEU A 132 -1.323 -5.794 26.049 1.00 30.15 H new ATOM 0 HA LEU A 132 -3.859 -5.058 25.215 1.00 62.44 H new ATOM 0 HB2 LEU A 132 -1.144 -4.651 23.916 1.00 60.02 H new ATOM 0 HB3 LEU A 132 -2.617 -4.014 23.212 1.00 60.02 H new ATOM 0 HG LEU A 132 -1.616 -2.270 24.373 1.00 55.11 H new ATOM 0 HD11 LEU A 132 -3.253 -1.653 26.171 1.00 24.53 H new ATOM 0 HD12 LEU A 132 -4.033 -2.300 24.708 1.00 24.53 H new ATOM 0 HD13 LEU A 132 -3.857 -3.327 26.151 1.00 24.53 H new ATOM 0 HD21 LEU A 132 -0.996 -2.229 26.767 1.00 12.13 H new ATOM 0 HD22 LEU A 132 -1.322 -3.977 26.853 1.00 12.13 H new ATOM 0 HD23 LEU A 132 -0.026 -3.364 25.798 1.00 12.13 H new ATOM 2097 N ASP A 133 -2.533 -7.522 23.463 1.00 63.50 N ATOM 2098 CA ASP A 133 -2.806 -8.538 22.459 1.00 12.23 C ATOM 2099 C ASP A 133 -4.139 -9.250 22.693 1.00 32.42 C ATOM 2100 O ASP A 133 -4.862 -9.515 21.745 1.00 24.10 O ATOM 2101 CB ASP A 133 -1.681 -9.606 22.430 1.00 75.25 C ATOM 2102 CG ASP A 133 -0.376 -8.996 21.943 1.00 40.02 C ATOM 2103 OD1 ASP A 133 -0.339 -8.526 20.777 1.00 41.41 O ATOM 2104 OD2 ASP A 133 0.593 -8.987 22.747 1.00 34.32 O ATOM 0 H ASP A 133 -1.677 -7.693 23.991 1.00 63.50 H new ATOM 0 HA ASP A 133 -2.854 -8.012 21.506 1.00 12.23 H new ATOM 0 HB2 ASP A 133 -1.543 -10.024 23.427 1.00 75.25 H new ATOM 0 HB3 ASP A 133 -1.970 -10.429 21.776 1.00 75.25 H new ATOM 2109 N VAL A 134 -4.484 -9.556 23.960 1.00 43.31 N ATOM 2110 CA VAL A 134 -5.721 -10.208 24.390 1.00 70.22 C ATOM 2111 C VAL A 134 -6.824 -9.212 24.659 1.00 44.54 C ATOM 2112 O VAL A 134 -7.950 -9.409 24.199 1.00 72.34 O ATOM 2113 CB VAL A 134 -5.546 -11.202 25.543 1.00 30.12 C ATOM 2114 CG1 VAL A 134 -4.465 -10.780 26.522 1.00 65.11 C ATOM 2115 CG2 VAL A 134 -6.852 -11.642 26.241 1.00 33.34 C ATOM 0 H VAL A 134 -3.870 -9.341 24.746 1.00 43.31 H new ATOM 0 HA VAL A 134 -6.027 -10.818 23.540 1.00 70.22 H new ATOM 0 HB VAL A 134 -5.195 -12.111 25.055 1.00 30.12 H new ATOM 0 HG11 VAL A 134 -4.385 -11.521 27.317 1.00 65.11 H new ATOM 0 HG12 VAL A 134 -3.511 -10.704 26.000 1.00 65.11 H new ATOM 0 HG13 VAL A 134 -4.722 -9.812 26.952 1.00 65.11 H new ATOM 0 HG21 VAL A 134 -6.618 -12.345 27.041 1.00 33.34 H new ATOM 0 HG22 VAL A 134 -7.353 -10.769 26.660 1.00 33.34 H new ATOM 0 HG23 VAL A 134 -7.508 -12.123 25.516 1.00 33.34 H new ATOM 2125 N ALA A 135 -6.533 -8.088 25.360 1.00 31.44 N ATOM 2126 CA ALA A 135 -7.514 -7.058 25.644 1.00 52.41 C ATOM 2127 C ALA A 135 -8.060 -6.393 24.409 1.00 65.23 C ATOM 2128 O ALA A 135 -9.273 -6.303 24.242 1.00 73.10 O ATOM 2129 CB ALA A 135 -6.917 -5.958 26.537 1.00 1.52 C ATOM 0 H ALA A 135 -5.606 -7.888 25.736 1.00 31.44 H new ATOM 0 HA ALA A 135 -8.329 -7.577 26.149 1.00 52.41 H new ATOM 0 HB1 ALA A 135 -7.674 -5.199 26.734 1.00 1.52 H new ATOM 0 HB2 ALA A 135 -6.586 -6.394 27.480 1.00 1.52 H new ATOM 0 HB3 ALA A 135 -6.067 -5.500 26.031 1.00 1.52 H new ATOM 2135 N VAL A 136 -7.195 -5.959 23.462 1.00 33.52 N ATOM 2136 CA VAL A 136 -7.728 -5.408 22.235 1.00 23.04 C ATOM 2137 C VAL A 136 -8.111 -6.542 21.341 1.00 14.34 C ATOM 2138 O VAL A 136 -8.993 -6.401 20.504 1.00 75.42 O ATOM 2139 CB VAL A 136 -6.824 -4.475 21.441 1.00 65.35 C ATOM 2140 CG1 VAL A 136 -6.154 -3.490 22.409 1.00 13.04 C ATOM 2141 CG2 VAL A 136 -5.862 -5.112 20.423 1.00 43.41 C ATOM 0 H VAL A 136 -6.178 -5.984 23.533 1.00 33.52 H new ATOM 0 HA VAL A 136 -8.562 -4.785 22.556 1.00 23.04 H new ATOM 0 HB VAL A 136 -7.478 -3.937 20.755 1.00 65.35 H new ATOM 0 HG11 VAL A 136 -5.504 -2.817 21.851 1.00 13.04 H new ATOM 0 HG12 VAL A 136 -6.919 -2.910 22.926 1.00 13.04 H new ATOM 0 HG13 VAL A 136 -5.563 -4.043 23.139 1.00 13.04 H new ATOM 0 HG21 VAL A 136 -5.282 -4.331 19.933 1.00 43.41 H new ATOM 0 HG22 VAL A 136 -5.187 -5.796 20.938 1.00 43.41 H new ATOM 0 HG23 VAL A 136 -6.435 -5.662 19.676 1.00 43.41 H new ATOM 2151 N GLY A 137 -7.442 -7.711 21.486 1.00 13.15 N ATOM 2152 CA GLY A 137 -7.690 -8.822 20.589 1.00 1.53 C ATOM 2153 C GLY A 137 -9.086 -9.353 20.646 1.00 51.32 C ATOM 2154 O GLY A 137 -9.672 -9.598 19.601 1.00 33.02 O ATOM 0 H GLY A 137 -6.743 -7.890 22.207 1.00 13.15 H new ATOM 0 HA2 GLY A 137 -7.474 -8.506 19.568 1.00 1.53 H new ATOM 0 HA3 GLY A 137 -6.996 -9.628 20.826 1.00 1.53 H new ATOM 2158 N GLU A 138 -9.684 -9.517 21.850 1.00 72.23 N ATOM 2159 CA GLU A 138 -11.081 -9.908 21.950 1.00 65.20 C ATOM 2160 C GLU A 138 -12.048 -8.873 21.390 1.00 23.52 C ATOM 2161 O GLU A 138 -13.038 -9.241 20.756 1.00 32.24 O ATOM 2162 CB GLU A 138 -11.510 -10.288 23.383 1.00 63.04 C ATOM 2163 CG GLU A 138 -10.658 -11.470 23.879 1.00 64.24 C ATOM 2164 CD GLU A 138 -11.343 -12.243 24.990 1.00 74.25 C ATOM 2165 OE1 GLU A 138 -10.876 -12.135 26.147 1.00 51.34 O ATOM 2166 OE2 GLU A 138 -12.282 -13.011 24.661 1.00 21.53 O ATOM 0 H GLU A 138 -9.215 -9.383 22.746 1.00 72.23 H new ATOM 0 HA GLU A 138 -11.142 -10.799 21.325 1.00 65.20 H new ATOM 0 HB2 GLU A 138 -11.388 -9.434 24.049 1.00 63.04 H new ATOM 0 HB3 GLU A 138 -12.566 -10.556 23.398 1.00 63.04 H new ATOM 0 HG2 GLU A 138 -10.451 -12.141 23.046 1.00 64.24 H new ATOM 0 HG3 GLU A 138 -9.697 -11.099 24.236 1.00 64.24 H new ATOM 2173 N LEU A 139 -11.768 -7.551 21.565 1.00 23.41 N ATOM 2174 CA LEU A 139 -12.519 -6.496 20.916 1.00 75.31 C ATOM 2175 C LEU A 139 -12.425 -6.559 19.440 1.00 51.23 C ATOM 2176 O LEU A 139 -13.432 -6.631 18.742 1.00 52.34 O ATOM 2177 CB LEU A 139 -11.954 -5.086 21.193 1.00 0.10 C ATOM 2178 CG LEU A 139 -12.245 -4.516 22.557 1.00 75.24 C ATOM 2179 CD1 LEU A 139 -11.420 -3.234 22.763 1.00 42.12 C ATOM 2180 CD2 LEU A 139 -13.735 -4.177 22.586 1.00 63.51 C ATOM 0 H LEU A 139 -11.014 -7.212 22.162 1.00 23.41 H new ATOM 0 HA LEU A 139 -13.525 -6.647 21.308 1.00 75.31 H new ATOM 0 HB2 LEU A 139 -10.873 -5.116 21.056 1.00 0.10 H new ATOM 0 HB3 LEU A 139 -12.352 -4.403 20.443 1.00 0.10 H new ATOM 0 HG LEU A 139 -11.988 -5.224 23.345 1.00 75.24 H new ATOM 0 HD11 LEU A 139 -11.630 -2.821 23.750 1.00 42.12 H new ATOM 0 HD12 LEU A 139 -10.358 -3.468 22.686 1.00 42.12 H new ATOM 0 HD13 LEU A 139 -11.687 -2.503 21.999 1.00 42.12 H new ATOM 0 HD21 LEU A 139 -13.994 -3.759 23.559 1.00 63.51 H new ATOM 0 HD22 LEU A 139 -13.957 -3.448 21.807 1.00 63.51 H new ATOM 0 HD23 LEU A 139 -14.317 -5.082 22.413 1.00 63.51 H new ATOM 2192 N LEU A 140 -11.182 -6.556 18.938 1.00 72.52 N ATOM 2193 CA LEU A 140 -10.968 -6.512 17.515 1.00 13.13 C ATOM 2194 C LEU A 140 -11.428 -7.780 16.819 1.00 51.21 C ATOM 2195 O LEU A 140 -12.014 -7.719 15.745 1.00 74.25 O ATOM 2196 CB LEU A 140 -9.491 -6.194 17.154 1.00 72.41 C ATOM 2197 CG LEU A 140 -8.993 -4.778 17.541 1.00 52.33 C ATOM 2198 CD1 LEU A 140 -7.543 -4.564 17.067 1.00 11.12 C ATOM 2199 CD2 LEU A 140 -9.867 -3.622 17.043 1.00 32.21 C ATOM 0 H LEU A 140 -10.331 -6.583 19.500 1.00 72.52 H new ATOM 0 HA LEU A 140 -11.586 -5.693 17.147 1.00 13.13 H new ATOM 0 HB2 LEU A 140 -8.851 -6.930 17.641 1.00 72.41 H new ATOM 0 HB3 LEU A 140 -9.363 -6.323 16.079 1.00 72.41 H new ATOM 0 HG LEU A 140 -9.054 -4.753 18.629 1.00 52.33 H new ATOM 0 HD11 LEU A 140 -7.212 -3.564 17.348 1.00 11.12 H new ATOM 0 HD12 LEU A 140 -6.895 -5.306 17.534 1.00 11.12 H new ATOM 0 HD13 LEU A 140 -7.495 -4.671 15.983 1.00 11.12 H new ATOM 0 HD21 LEU A 140 -9.435 -2.674 17.365 1.00 32.21 H new ATOM 0 HD22 LEU A 140 -9.917 -3.647 15.954 1.00 32.21 H new ATOM 0 HD23 LEU A 140 -10.871 -3.721 17.455 1.00 32.21 H new ATOM 2211 N ALA A 141 -11.228 -8.965 17.432 1.00 51.12 N ATOM 2212 CA ALA A 141 -11.752 -10.213 16.925 1.00 23.42 C ATOM 2213 C ALA A 141 -13.266 -10.253 16.821 1.00 72.10 C ATOM 2214 O ALA A 141 -13.795 -10.730 15.823 1.00 13.41 O ATOM 2215 CB ALA A 141 -11.309 -11.378 17.824 1.00 23.03 C ATOM 0 H ALA A 141 -10.694 -9.064 18.295 1.00 51.12 H new ATOM 0 HA ALA A 141 -11.349 -10.305 15.916 1.00 23.42 H new ATOM 0 HB1 ALA A 141 -11.710 -12.313 17.432 1.00 23.03 H new ATOM 0 HB2 ALA A 141 -10.220 -11.429 17.843 1.00 23.03 H new ATOM 0 HB3 ALA A 141 -11.682 -11.219 18.836 1.00 23.03 H new ATOM 2221 N ASP A 142 -14.008 -9.765 17.841 1.00 52.42 N ATOM 2222 CA ASP A 142 -15.454 -9.687 17.786 1.00 2.54 C ATOM 2223 C ASP A 142 -15.925 -8.569 16.843 1.00 63.13 C ATOM 2224 O ASP A 142 -16.974 -8.676 16.216 1.00 13.12 O ATOM 2225 CB ASP A 142 -16.003 -9.541 19.233 1.00 23.22 C ATOM 2226 CG ASP A 142 -17.518 -9.707 19.304 1.00 22.43 C ATOM 2227 OD1 ASP A 142 -18.199 -8.736 19.733 1.00 41.32 O ATOM 2228 OD2 ASP A 142 -18.002 -10.816 18.965 1.00 11.45 O ATOM 0 H ASP A 142 -13.607 -9.420 18.713 1.00 52.42 H new ATOM 0 HA ASP A 142 -15.859 -10.606 17.361 1.00 2.54 H new ATOM 0 HB2 ASP A 142 -15.529 -10.284 19.874 1.00 23.22 H new ATOM 0 HB3 ASP A 142 -15.730 -8.561 19.624 1.00 23.22 H new ATOM 2233 N THR A 143 -15.165 -7.456 16.740 1.00 72.12 N ATOM 2234 CA THR A 143 -15.508 -6.290 15.913 1.00 44.34 C ATOM 2235 C THR A 143 -15.630 -6.574 14.395 1.00 41.32 C ATOM 2236 O THR A 143 -14.610 -6.964 13.768 1.00 0.00 O ATOM 2237 CB THR A 143 -14.550 -5.116 16.088 1.00 4.42 C ATOM 2238 OG1 THR A 143 -14.603 -4.647 17.427 1.00 20.23 O ATOM 2239 CG2 THR A 143 -14.881 -3.916 15.178 1.00 73.50 C ATOM 2240 OXT THR A 143 -16.742 -6.348 13.844 1.00 0.00 O ATOM 0 H THR A 143 -14.283 -7.346 17.240 1.00 72.12 H new ATOM 0 HA THR A 143 -16.495 -6.029 16.295 1.00 44.34 H new ATOM 0 HB THR A 143 -13.564 -5.496 15.821 1.00 4.42 H new ATOM 0 HG1 THR A 143 -14.007 -5.187 17.987 1.00 20.23 H new ATOM 0 HG21 THR A 143 -14.161 -3.117 15.354 1.00 73.50 H new ATOM 0 HG22 THR A 143 -14.831 -4.226 14.134 1.00 73.50 H new ATOM 0 HG23 THR A 143 -15.885 -3.556 15.402 1.00 73.50 H new TER 2248 THR A 143