USER MOD reduce.3.24.130724 H: found=0, std=0, add=1125, rem=0, adj=25 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 112 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 143 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 67 ASN : amide:sc= 0.19 K(o=0.4,f=-0.44) USER MOD Set 2.2: A 79 LYS NZ :NH3+ 177:sc= 0.215 (180deg=0) USER MOD Set 3.1: A 64 GLN : amide:sc= 0.96 X(o=1.6,f=1.5) USER MOD Set 3.2: A 69 HIS : no HD1:sc= 0.678 K(o=1.6,f=-8.2!) USER MOD Set 4.1: A 31 GLN : amide:sc= 1.15 K(o=2.2,f=-0.26) USER MOD Set 4.2: A 35 ASN : amide:sc= 1.08 K(o=2.2,f=1.1) USER MOD Set 5.1: A 7 GLN : amide:sc= 0 K(o=1.2,f=0.057) USER MOD Set 5.2: A 8 MET CE :methyl -173:sc= -0.146 (180deg=-0.126) USER MOD Set 5.3: A 11 ASN : amide:sc= 0.607 K(o=1.2,f=-4.2) USER MOD Set 5.4: A 14 LYS NZ :NH3+ -166:sc= 0.712 (180deg=0) 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 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 MET CE :methyl 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= 0.884 K(o=0.88,f=0) USER MOD Single : A 24 ASN : amide:sc= 0.633 K(o=0.63,f=0) USER MOD Single : A 30 MET CE :methyl 173:sc= -0.0165 (180deg=-0.0668) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.384 X(o=-0.38,f=-0.38) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0.0706 K(o=0.071,f=-0.87) USER MOD Single : A 57 LYS NZ :NH3+ -167:sc= 1.01 (180deg=0.858) USER MOD Single : A 58 LYS NZ :NH3+ -177:sc= 1 (180deg=0.98) USER MOD Single : A 66 MET CE :methyl -164:sc= 0 (180deg=-0.21) USER MOD Single : A 70 HIS : no HE2:sc= -2.54! C(o=-2.5!,f=-5.1!) USER MOD Single : A 72 LYS NZ :NH3+ 140:sc= 0.282 (180deg=0) USER MOD Single : A 74 MET CE :methyl -135:sc= -0.104 (180deg=-0.533) USER MOD Single : A 78 MET CE :methyl 177:sc= -0.127 (180deg=-0.152) USER MOD Single : A 80 HIS : no HD1:sc= -0.112 K(o=-0.11,f=-5.9!) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= -0.356 X(o=-0.36,f=0.0084) USER MOD Single : A 94 LYS NZ :NH3+ -153:sc= 0.708 (180deg=0.353) USER MOD Single : A 95 HIS : no HD1:sc= -2.84! C(o=-2.8!,f=-5.7!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.117) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.918 K(o=-0.92,f=0) USER MOD Single : A 111 THR OG1 : rot 160:sc= 0.47 USER MOD Single : A 114 ASN : amide:sc= 0.492 K(o=0.49,f=-0.8) USER MOD Single : A 117 MET CE :methyl -165:sc= -0.0466 (180deg=-0.384) USER MOD Single : A 120 LYS NZ :NH3+ 169:sc= 0.861 (180deg=0.791) USER MOD Single : A 124 HIS : no HD1:sc= 0.725 K(o=1.2,f=-5.8!) USER MOD Single : A 125 LYS NZ :NH3+ -164:sc= 0.546 (180deg=0.416) USER MOD Single : A 131 THR OG1 : rot 180:sc= -0.172 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 7.966 -23.359 0.556 1.00 3.11 N ATOM 2 CA SER A 1 8.280 -21.965 0.042 1.00 63.12 C ATOM 3 C SER A 1 8.065 -20.841 1.042 1.00 72.15 C ATOM 4 O SER A 1 8.876 -19.924 1.153 1.00 65.14 O ATOM 5 CB SER A 1 7.437 -21.641 -1.231 1.00 64.20 C ATOM 6 OG SER A 1 7.800 -22.472 -2.336 1.00 53.24 O ATOM 0 H1 SER A 1 8.143 -24.055 -0.197 1.00 3.11 H new ATOM 0 H2 SER A 1 8.572 -23.572 1.374 1.00 3.11 H new ATOM 0 H3 SER A 1 6.968 -23.406 0.843 1.00 3.11 H new ATOM 0 HA SER A 1 9.348 -22.000 -0.175 1.00 63.12 H new ATOM 0 HB2 SER A 1 6.378 -21.774 -1.009 1.00 64.20 H new ATOM 0 HB3 SER A 1 7.577 -20.595 -1.502 1.00 64.20 H new ATOM 0 HG SER A 1 7.250 -22.241 -3.114 1.00 53.24 H new ATOM 14 N LYS A 2 6.959 -20.875 1.817 1.00 61.12 N ATOM 15 CA LYS A 2 6.558 -19.811 2.719 1.00 12.21 C ATOM 16 C LYS A 2 7.530 -19.558 3.857 1.00 3.32 C ATOM 17 O LYS A 2 7.746 -18.416 4.253 1.00 10.41 O ATOM 18 CB LYS A 2 5.121 -20.061 3.260 1.00 61.14 C ATOM 19 CG LYS A 2 4.923 -21.321 4.126 1.00 22.10 C ATOM 20 CD LYS A 2 3.458 -21.497 4.566 1.00 41.04 C ATOM 21 CE LYS A 2 3.164 -22.821 5.279 1.00 25.31 C ATOM 22 NZ LYS A 2 3.844 -22.868 6.588 1.00 15.30 N ATOM 0 H LYS A 2 6.316 -21.667 1.822 1.00 61.12 H new ATOM 0 HA LYS A 2 6.567 -18.899 2.122 1.00 12.21 H new ATOM 0 HB2 LYS A 2 4.821 -19.193 3.847 1.00 61.14 H new ATOM 0 HB3 LYS A 2 4.442 -20.121 2.410 1.00 61.14 H new ATOM 0 HG2 LYS A 2 5.241 -22.200 3.565 1.00 22.10 H new ATOM 0 HG3 LYS A 2 5.561 -21.258 5.008 1.00 22.10 H new ATOM 0 HD2 LYS A 2 3.190 -20.674 5.229 1.00 41.04 H new ATOM 0 HD3 LYS A 2 2.816 -21.421 3.688 1.00 41.04 H new ATOM 0 HE2 LYS A 2 2.089 -22.935 5.417 1.00 25.31 H new ATOM 0 HE3 LYS A 2 3.496 -23.655 4.661 1.00 25.31 H new ATOM 0 HZ1 LYS A 2 3.633 -23.772 7.056 1.00 15.30 H new ATOM 0 HZ2 LYS A 2 4.871 -22.781 6.449 1.00 15.30 H new ATOM 0 HZ3 LYS A 2 3.508 -22.084 7.182 1.00 15.30 H new ATOM 36 N GLU A 3 8.185 -20.624 4.375 1.00 3.11 N ATOM 37 CA GLU A 3 9.191 -20.536 5.421 1.00 21.14 C ATOM 38 C GLU A 3 10.585 -20.266 4.919 1.00 45.34 C ATOM 39 O GLU A 3 11.548 -20.195 5.676 1.00 64.14 O ATOM 40 CB GLU A 3 9.182 -21.799 6.329 1.00 1.23 C ATOM 41 CG GLU A 3 9.634 -23.115 5.640 1.00 0.34 C ATOM 42 CD GLU A 3 9.578 -24.338 6.564 1.00 22.43 C ATOM 43 OE1 GLU A 3 9.151 -24.198 7.738 1.00 23.22 O ATOM 44 OE2 GLU A 3 9.959 -25.434 6.074 1.00 44.11 O ATOM 0 H GLU A 3 8.015 -21.579 4.061 1.00 3.11 H new ATOM 0 HA GLU A 3 8.905 -19.665 6.010 1.00 21.14 H new ATOM 0 HB2 GLU A 3 9.831 -21.615 7.185 1.00 1.23 H new ATOM 0 HB3 GLU A 3 8.173 -21.940 6.718 1.00 1.23 H new ATOM 0 HG2 GLU A 3 9.002 -23.297 4.771 1.00 0.34 H new ATOM 0 HG3 GLU A 3 10.653 -22.993 5.273 1.00 0.34 H new ATOM 51 N VAL A 4 10.689 -20.131 3.597 1.00 20.41 N ATOM 52 CA VAL A 4 11.951 -19.955 2.884 1.00 42.32 C ATOM 53 C VAL A 4 12.083 -18.514 2.449 1.00 50.03 C ATOM 54 O VAL A 4 13.127 -17.884 2.606 1.00 0.35 O ATOM 55 CB VAL A 4 12.061 -20.781 1.603 1.00 22.44 C ATOM 56 CG1 VAL A 4 13.423 -20.580 0.897 1.00 14.02 C ATOM 57 CG2 VAL A 4 11.788 -22.264 1.869 1.00 33.45 C ATOM 0 H VAL A 4 9.878 -20.141 2.979 1.00 20.41 H new ATOM 0 HA VAL A 4 12.724 -20.276 3.583 1.00 42.32 H new ATOM 0 HB VAL A 4 11.291 -20.416 0.924 1.00 22.44 H new ATOM 0 HG11 VAL A 4 13.456 -21.186 -0.008 1.00 14.02 H new ATOM 0 HG12 VAL A 4 13.545 -19.529 0.635 1.00 14.02 H new ATOM 0 HG13 VAL A 4 14.228 -20.883 1.566 1.00 14.02 H new ATOM 0 HG21 VAL A 4 11.874 -22.823 0.937 1.00 33.45 H new ATOM 0 HG22 VAL A 4 12.513 -22.644 2.589 1.00 33.45 H new ATOM 0 HG23 VAL A 4 10.782 -22.382 2.271 1.00 33.45 H new ATOM 67 N MET A 5 11.011 -17.998 1.803 1.00 2.11 N ATOM 68 CA MET A 5 11.096 -16.961 0.808 1.00 63.52 C ATOM 69 C MET A 5 11.464 -15.594 1.347 1.00 52.41 C ATOM 70 O MET A 5 12.059 -14.782 0.641 1.00 32.40 O ATOM 71 CB MET A 5 9.774 -16.879 -0.005 1.00 52.12 C ATOM 72 CG MET A 5 8.523 -16.454 0.792 1.00 13.45 C ATOM 73 SD MET A 5 7.000 -16.458 -0.199 1.00 74.44 S ATOM 74 CE MET A 5 5.961 -15.800 1.136 1.00 63.42 C ATOM 0 H MET A 5 10.057 -18.312 1.979 1.00 2.11 H new ATOM 0 HA MET A 5 11.922 -17.252 0.159 1.00 63.52 H new ATOM 0 HB2 MET A 5 9.916 -16.175 -0.825 1.00 52.12 H new ATOM 0 HB3 MET A 5 9.583 -17.855 -0.452 1.00 52.12 H new ATOM 0 HG2 MET A 5 8.397 -17.126 1.641 1.00 13.45 H new ATOM 0 HG3 MET A 5 8.682 -15.455 1.197 1.00 13.45 H new ATOM 0 HE1 MET A 5 4.935 -15.699 0.782 1.00 63.42 H new ATOM 0 HE2 MET A 5 5.987 -16.481 1.986 1.00 63.42 H new ATOM 0 HE3 MET A 5 6.337 -14.824 1.442 1.00 63.42 H new ATOM 84 N LYS A 6 11.094 -15.314 2.617 1.00 14.04 N ATOM 85 CA LYS A 6 11.352 -14.055 3.273 1.00 2.20 C ATOM 86 C LYS A 6 12.034 -14.166 4.600 1.00 70.51 C ATOM 87 O LYS A 6 12.113 -15.208 5.242 1.00 72.13 O ATOM 88 CB LYS A 6 10.101 -13.160 3.476 1.00 15.33 C ATOM 89 CG LYS A 6 9.606 -12.514 2.181 1.00 2.41 C ATOM 90 CD LYS A 6 10.514 -11.380 1.665 1.00 34.20 C ATOM 91 CE LYS A 6 9.922 -10.579 0.501 1.00 52.51 C ATOM 92 NZ LYS A 6 9.791 -11.434 -0.695 1.00 1.30 N ATOM 0 H LYS A 6 10.600 -15.983 3.208 1.00 14.04 H new ATOM 0 HA LYS A 6 12.025 -13.584 2.557 1.00 2.20 H new ATOM 0 HB2 LYS A 6 9.299 -13.760 3.905 1.00 15.33 H new ATOM 0 HB3 LYS A 6 10.335 -12.378 4.198 1.00 15.33 H new ATOM 0 HG2 LYS A 6 9.525 -13.281 1.411 1.00 2.41 H new ATOM 0 HG3 LYS A 6 8.603 -12.119 2.343 1.00 2.41 H new ATOM 0 HD2 LYS A 6 10.728 -10.698 2.488 1.00 34.20 H new ATOM 0 HD3 LYS A 6 11.466 -11.807 1.350 1.00 34.20 H new ATOM 0 HE2 LYS A 6 8.946 -10.183 0.782 1.00 52.51 H new ATOM 0 HE3 LYS A 6 10.560 -9.724 0.277 1.00 52.51 H new ATOM 0 HZ1 LYS A 6 9.388 -10.878 -1.477 1.00 1.30 H new ATOM 0 HZ2 LYS A 6 10.728 -11.791 -0.971 1.00 1.30 H new ATOM 0 HZ3 LYS A 6 9.164 -12.236 -0.482 1.00 1.30 H new ATOM 106 N GLN A 7 12.570 -12.996 4.993 1.00 62.41 N ATOM 107 CA GLN A 7 13.351 -12.773 6.197 1.00 21.14 C ATOM 108 C GLN A 7 12.580 -12.979 7.493 1.00 30.34 C ATOM 109 O GLN A 7 13.123 -13.491 8.470 1.00 31.01 O ATOM 110 CB GLN A 7 14.014 -11.362 6.176 1.00 20.42 C ATOM 111 CG GLN A 7 13.044 -10.155 6.154 1.00 71.13 C ATOM 112 CD GLN A 7 13.797 -8.819 6.143 1.00 3.40 C ATOM 113 OE1 GLN A 7 13.768 -8.073 7.124 1.00 64.41 O ATOM 114 NE2 GLN A 7 14.472 -8.501 5.008 1.00 2.13 N ATOM 0 H GLN A 7 12.457 -12.145 4.443 1.00 62.41 H new ATOM 0 HA GLN A 7 14.124 -13.542 6.186 1.00 21.14 H new ATOM 0 HB2 GLN A 7 14.655 -11.271 7.053 1.00 20.42 H new ATOM 0 HB3 GLN A 7 14.660 -11.299 5.300 1.00 20.42 H new ATOM 0 HG2 GLN A 7 12.404 -10.219 5.274 1.00 71.13 H new ATOM 0 HG3 GLN A 7 12.391 -10.197 7.026 1.00 71.13 H new ATOM 0 HE21 GLN A 7 14.472 -9.145 4.217 1.00 2.13 H new ATOM 0 HE22 GLN A 7 14.979 -7.618 4.946 1.00 2.13 H new ATOM 123 N MET A 8 11.288 -12.589 7.529 1.00 71.12 N ATOM 124 CA MET A 8 10.406 -12.800 8.654 1.00 53.20 C ATOM 125 C MET A 8 9.125 -13.372 8.094 1.00 65.01 C ATOM 126 O MET A 8 8.684 -12.974 7.017 1.00 3.12 O ATOM 127 CB MET A 8 10.083 -11.487 9.415 1.00 2.41 C ATOM 128 CG MET A 8 11.312 -10.855 10.101 1.00 25.33 C ATOM 129 SD MET A 8 10.965 -9.290 10.963 1.00 12.13 S ATOM 130 CE MET A 8 10.898 -8.243 9.478 1.00 63.43 C ATOM 0 H MET A 8 10.837 -12.109 6.750 1.00 71.12 H new ATOM 0 HA MET A 8 10.890 -13.466 9.369 1.00 53.20 H new ATOM 0 HB2 MET A 8 9.656 -10.767 8.717 1.00 2.41 H new ATOM 0 HB3 MET A 8 9.321 -11.691 10.168 1.00 2.41 H new ATOM 0 HG2 MET A 8 11.721 -11.568 10.817 1.00 25.33 H new ATOM 0 HG3 MET A 8 12.083 -10.680 9.350 1.00 25.33 H new ATOM 0 HE1 MET A 8 10.816 -7.197 9.774 1.00 63.43 H new ATOM 0 HE2 MET A 8 11.806 -8.384 8.892 1.00 63.43 H new ATOM 0 HE3 MET A 8 10.032 -8.519 8.877 1.00 63.43 H new ATOM 140 N THR A 9 8.503 -14.335 8.809 1.00 64.14 N ATOM 141 CA THR A 9 7.235 -14.933 8.411 1.00 25.13 C ATOM 142 C THR A 9 6.049 -14.271 9.085 1.00 2.22 C ATOM 143 O THR A 9 4.944 -14.286 8.547 1.00 74.15 O ATOM 144 CB THR A 9 7.189 -16.437 8.670 1.00 35.10 C ATOM 145 OG1 THR A 9 7.429 -16.751 10.039 1.00 72.13 O ATOM 146 CG2 THR A 9 8.244 -17.162 7.815 1.00 12.41 C ATOM 0 H THR A 9 8.878 -14.712 9.679 1.00 64.14 H new ATOM 0 HA THR A 9 7.165 -14.766 7.336 1.00 25.13 H new ATOM 0 HB THR A 9 6.186 -16.770 8.403 1.00 35.10 H new ATOM 0 HG1 THR A 9 7.389 -17.722 10.164 1.00 72.13 H new ATOM 0 HG21 THR A 9 8.198 -18.233 8.012 1.00 12.41 H new ATOM 0 HG22 THR A 9 8.046 -16.978 6.759 1.00 12.41 H new ATOM 0 HG23 THR A 9 9.236 -16.789 8.068 1.00 12.41 H new ATOM 154 N ILE A 10 6.245 -13.672 10.283 1.00 61.45 N ATOM 155 CA ILE A 10 5.184 -13.052 11.059 1.00 63.52 C ATOM 156 C ILE A 10 5.496 -11.578 11.225 1.00 32.44 C ATOM 157 O ILE A 10 6.521 -11.212 11.798 1.00 32.42 O ATOM 158 CB ILE A 10 5.004 -13.708 12.432 1.00 50.42 C ATOM 159 CG1 ILE A 10 4.635 -15.210 12.287 1.00 44.40 C ATOM 160 CG2 ILE A 10 3.968 -12.939 13.291 1.00 61.23 C ATOM 161 CD1 ILE A 10 4.632 -15.986 13.609 1.00 11.31 C ATOM 0 H ILE A 10 7.160 -13.613 10.729 1.00 61.45 H new ATOM 0 HA ILE A 10 4.247 -13.187 10.519 1.00 63.52 H new ATOM 0 HB ILE A 10 5.957 -13.656 12.958 1.00 50.42 H new ATOM 0 HG12 ILE A 10 3.648 -15.288 11.831 1.00 44.40 H new ATOM 0 HG13 ILE A 10 5.341 -15.682 11.603 1.00 44.40 H new ATOM 0 HG21 ILE A 10 3.863 -13.429 14.259 1.00 61.23 H new ATOM 0 HG22 ILE A 10 4.307 -11.914 13.438 1.00 61.23 H new ATOM 0 HG23 ILE A 10 3.005 -12.933 12.781 1.00 61.23 H new ATOM 0 HD11 ILE A 10 4.365 -17.026 13.420 1.00 11.31 H new ATOM 0 HD12 ILE A 10 5.624 -15.942 14.059 1.00 11.31 H new ATOM 0 HD13 ILE A 10 3.905 -15.542 14.290 1.00 11.31 H new ATOM 173 N ASN A 11 4.592 -10.686 10.757 1.00 63.33 N ATOM 174 CA ASN A 11 4.601 -9.285 11.123 1.00 10.12 C ATOM 175 C ASN A 11 3.171 -8.901 11.455 1.00 62.15 C ATOM 176 O ASN A 11 2.232 -9.364 10.813 1.00 25.20 O ATOM 177 CB ASN A 11 5.098 -8.346 9.990 1.00 32.41 C ATOM 178 CG ASN A 11 6.553 -8.610 9.595 1.00 43.10 C ATOM 179 OD1 ASN A 11 6.830 -8.887 8.425 1.00 51.33 O ATOM 180 ND2 ASN A 11 7.496 -8.473 10.561 1.00 55.40 N ATOM 0 H ASN A 11 3.841 -10.937 10.114 1.00 63.33 H new ATOM 0 HA ASN A 11 5.290 -9.165 11.959 1.00 10.12 H new ATOM 0 HB2 ASN A 11 4.460 -8.471 9.115 1.00 32.41 H new ATOM 0 HB3 ASN A 11 4.996 -7.310 10.313 1.00 32.41 H new ATOM 0 HD21 ASN A 11 8.482 -8.600 10.333 1.00 55.40 H new ATOM 0 HD22 ASN A 11 7.219 -8.243 11.515 1.00 55.40 H new ATOM 187 N PHE A 12 2.974 -8.025 12.465 1.00 72.33 N ATOM 188 CA PHE A 12 1.673 -7.506 12.858 1.00 12.31 C ATOM 189 C PHE A 12 1.199 -6.334 12.002 1.00 62.24 C ATOM 190 O PHE A 12 0.041 -5.929 12.060 1.00 72.13 O ATOM 191 CB PHE A 12 1.683 -7.122 14.371 1.00 4.41 C ATOM 192 CG PHE A 12 2.743 -6.103 14.728 1.00 14.51 C ATOM 193 CD1 PHE A 12 2.489 -4.728 14.597 1.00 40.54 C ATOM 194 CD2 PHE A 12 3.996 -6.515 15.219 1.00 13.53 C ATOM 195 CE1 PHE A 12 3.469 -3.782 14.921 1.00 22.30 C ATOM 196 CE2 PHE A 12 4.979 -5.573 15.548 1.00 2.41 C ATOM 197 CZ PHE A 12 4.716 -4.205 15.395 1.00 50.33 C ATOM 0 H PHE A 12 3.739 -7.660 13.032 1.00 72.33 H new ATOM 0 HA PHE A 12 0.953 -8.307 12.689 1.00 12.31 H new ATOM 0 HB2 PHE A 12 0.704 -6.727 14.644 1.00 4.41 H new ATOM 0 HB3 PHE A 12 1.841 -8.022 14.965 1.00 4.41 H new ATOM 0 HD1 PHE A 12 1.525 -4.396 14.242 1.00 40.54 H new ATOM 0 HD2 PHE A 12 4.202 -7.568 15.343 1.00 13.53 H new ATOM 0 HE1 PHE A 12 3.263 -2.728 14.805 1.00 22.30 H new ATOM 0 HE2 PHE A 12 5.939 -5.901 15.919 1.00 2.41 H new ATOM 0 HZ PHE A 12 5.475 -3.478 15.643 1.00 50.33 H new ATOM 207 N ALA A 13 2.111 -5.750 11.198 1.00 34.54 N ATOM 208 CA ALA A 13 1.918 -4.527 10.451 1.00 21.01 C ATOM 209 C ALA A 13 1.082 -4.609 9.195 1.00 51.50 C ATOM 210 O ALA A 13 0.533 -3.595 8.769 1.00 73.20 O ATOM 211 CB ALA A 13 3.279 -3.958 10.056 1.00 3.23 C ATOM 0 H ALA A 13 3.039 -6.150 11.057 1.00 34.54 H new ATOM 0 HA ALA A 13 1.354 -3.896 11.137 1.00 21.01 H new ATOM 0 HB1 ALA A 13 3.138 -3.036 9.492 1.00 3.23 H new ATOM 0 HB2 ALA A 13 3.861 -3.749 10.954 1.00 3.23 H new ATOM 0 HB3 ALA A 13 3.811 -4.682 9.439 1.00 3.23 H new ATOM 217 N LYS A 14 0.950 -5.792 8.556 1.00 42.51 N ATOM 218 CA LYS A 14 0.222 -5.922 7.302 1.00 71.50 C ATOM 219 C LYS A 14 -1.242 -5.492 7.358 1.00 20.52 C ATOM 220 O LYS A 14 -1.620 -4.725 6.469 1.00 73.13 O ATOM 221 CB LYS A 14 0.330 -7.357 6.704 1.00 43.33 C ATOM 222 CG LYS A 14 1.627 -7.652 5.915 1.00 22.20 C ATOM 223 CD LYS A 14 2.975 -7.529 6.648 1.00 12.50 C ATOM 224 CE LYS A 14 4.144 -7.832 5.702 1.00 33.21 C ATOM 225 NZ LYS A 14 5.440 -7.475 6.310 1.00 5.50 N ATOM 0 H LYS A 14 1.345 -6.667 8.901 1.00 42.51 H new ATOM 0 HA LYS A 14 0.723 -5.215 6.641 1.00 71.50 H new ATOM 0 HB2 LYS A 14 0.248 -8.078 7.517 1.00 43.33 H new ATOM 0 HB3 LYS A 14 -0.522 -7.522 6.044 1.00 43.33 H new ATOM 0 HG2 LYS A 14 1.554 -8.667 5.523 1.00 22.20 H new ATOM 0 HG3 LYS A 14 1.653 -6.980 5.057 1.00 22.20 H new ATOM 0 HD2 LYS A 14 3.082 -6.523 7.054 1.00 12.50 H new ATOM 0 HD3 LYS A 14 2.998 -8.218 7.493 1.00 12.50 H new ATOM 0 HE2 LYS A 14 4.141 -8.892 5.446 1.00 33.21 H new ATOM 0 HE3 LYS A 14 4.013 -7.279 4.772 1.00 33.21 H new ATOM 0 HZ1 LYS A 14 6.177 -7.466 5.576 1.00 5.50 H new ATOM 0 HZ2 LYS A 14 5.372 -6.532 6.744 1.00 5.50 H new ATOM 0 HZ3 LYS A 14 5.686 -8.175 7.039 1.00 5.50 H new ATOM 239 N PRO A 15 -2.107 -5.834 8.317 1.00 71.31 N ATOM 240 CA PRO A 15 -3.410 -5.195 8.429 1.00 20.01 C ATOM 241 C PRO A 15 -3.362 -3.734 8.836 1.00 35.04 C ATOM 242 O PRO A 15 -4.294 -3.004 8.506 1.00 25.02 O ATOM 243 CB PRO A 15 -4.148 -6.053 9.463 1.00 4.12 C ATOM 244 CG PRO A 15 -3.067 -6.711 10.319 1.00 24.42 C ATOM 245 CD PRO A 15 -1.871 -6.824 9.373 1.00 14.51 C ATOM 0 HA PRO A 15 -3.908 -5.155 7.460 1.00 20.01 H new ATOM 0 HB2 PRO A 15 -4.811 -5.441 10.075 1.00 4.12 H new ATOM 0 HB3 PRO A 15 -4.769 -6.804 8.974 1.00 4.12 H new ATOM 0 HG2 PRO A 15 -2.828 -6.108 11.195 1.00 24.42 H new ATOM 0 HG3 PRO A 15 -3.384 -7.689 10.682 1.00 24.42 H new ATOM 0 HD2 PRO A 15 -0.937 -6.623 9.897 1.00 14.51 H new ATOM 0 HD3 PRO A 15 -1.793 -7.829 8.958 1.00 14.51 H new ATOM 253 N MET A 16 -2.314 -3.264 9.549 1.00 63.45 N ATOM 254 CA MET A 16 -2.244 -1.885 9.999 1.00 22.31 C ATOM 255 C MET A 16 -1.897 -0.924 8.871 1.00 1.31 C ATOM 256 O MET A 16 -2.506 0.138 8.732 1.00 60.11 O ATOM 257 CB MET A 16 -1.223 -1.742 11.151 1.00 33.11 C ATOM 258 CG MET A 16 -1.654 -2.497 12.419 1.00 21.45 C ATOM 259 SD MET A 16 -0.487 -2.390 13.796 1.00 52.24 S ATOM 260 CE MET A 16 -1.366 -3.617 14.805 1.00 51.42 C ATOM 0 H MET A 16 -1.511 -3.833 9.818 1.00 63.45 H new ATOM 0 HA MET A 16 -3.237 -1.618 10.361 1.00 22.31 H new ATOM 0 HB2 MET A 16 -0.254 -2.116 10.821 1.00 33.11 H new ATOM 0 HB3 MET A 16 -1.093 -0.686 11.388 1.00 33.11 H new ATOM 0 HG2 MET A 16 -2.618 -2.108 12.747 1.00 21.45 H new ATOM 0 HG3 MET A 16 -1.803 -3.547 12.167 1.00 21.45 H new ATOM 0 HE1 MET A 16 -0.842 -3.753 15.751 1.00 51.42 H new ATOM 0 HE2 MET A 16 -2.381 -3.269 14.999 1.00 51.42 H new ATOM 0 HE3 MET A 16 -1.404 -4.567 14.272 1.00 51.42 H new ATOM 270 N GLU A 17 -0.919 -1.294 8.006 1.00 13.30 N ATOM 271 CA GLU A 17 -0.530 -0.497 6.855 1.00 30.21 C ATOM 272 C GLU A 17 -1.582 -0.544 5.768 1.00 41.13 C ATOM 273 O GLU A 17 -1.805 0.433 5.054 1.00 10.44 O ATOM 274 CB GLU A 17 0.857 -0.909 6.279 1.00 15.42 C ATOM 275 CG GLU A 17 0.957 -2.321 5.649 1.00 23.43 C ATOM 276 CD GLU A 17 2.382 -2.653 5.202 1.00 25.23 C ATOM 277 OE1 GLU A 17 3.269 -2.755 6.090 1.00 22.22 O ATOM 278 OE2 GLU A 17 2.586 -2.822 3.972 1.00 33.14 O ATOM 0 H GLU A 17 -0.387 -2.159 8.103 1.00 13.30 H new ATOM 0 HA GLU A 17 -0.442 0.528 7.214 1.00 30.21 H new ATOM 0 HB2 GLU A 17 1.142 -0.178 5.523 1.00 15.42 H new ATOM 0 HB3 GLU A 17 1.592 -0.841 7.081 1.00 15.42 H new ATOM 0 HG2 GLU A 17 0.622 -3.065 6.372 1.00 23.43 H new ATOM 0 HG3 GLU A 17 0.285 -2.384 4.793 1.00 23.43 H new ATOM 285 N ALA A 18 -2.290 -1.691 5.641 1.00 31.31 N ATOM 286 CA ALA A 18 -3.462 -1.809 4.806 1.00 43.41 C ATOM 287 C ALA A 18 -4.591 -0.927 5.263 1.00 0.20 C ATOM 288 O ALA A 18 -5.191 -0.250 4.436 1.00 50.23 O ATOM 289 CB ALA A 18 -4.026 -3.230 4.755 1.00 32.41 C ATOM 0 H ALA A 18 -2.045 -2.554 6.127 1.00 31.31 H new ATOM 0 HA ALA A 18 -3.105 -1.507 3.821 1.00 43.41 H new ATOM 0 HB1 ALA A 18 -4.905 -3.250 4.111 1.00 32.41 H new ATOM 0 HB2 ALA A 18 -3.270 -3.907 4.358 1.00 32.41 H new ATOM 0 HB3 ALA A 18 -4.305 -3.547 5.760 1.00 32.41 H new ATOM 295 N CYS A 19 -4.892 -0.869 6.586 1.00 54.20 N ATOM 296 CA CYS A 19 -5.966 -0.031 7.090 1.00 50.20 C ATOM 297 C CYS A 19 -5.637 1.419 6.754 1.00 45.44 C ATOM 298 O CYS A 19 -6.443 2.104 6.143 1.00 24.23 O ATOM 299 CB CYS A 19 -6.153 -0.169 8.621 1.00 15.54 C ATOM 300 SG CYS A 19 -7.721 0.450 9.071 1.00 20.21 S ATOM 0 H CYS A 19 -4.398 -1.397 7.305 1.00 54.20 H new ATOM 0 HA CYS A 19 -6.897 -0.349 6.620 1.00 50.20 H new ATOM 0 HB2 CYS A 19 -6.064 -1.214 8.917 1.00 15.54 H new ATOM 0 HB3 CYS A 19 -5.370 0.378 9.145 1.00 15.54 H new ATOM 305 N LYS A 20 -4.391 1.890 6.994 1.00 25.21 N ATOM 306 CA LYS A 20 -4.049 3.300 6.855 1.00 1.34 C ATOM 307 C LYS A 20 -4.302 3.819 5.442 1.00 52.20 C ATOM 308 O LYS A 20 -4.887 4.885 5.244 1.00 25.51 O ATOM 309 CB LYS A 20 -2.569 3.507 7.291 1.00 40.35 C ATOM 310 CG LYS A 20 -2.050 4.962 7.326 1.00 70.45 C ATOM 311 CD LYS A 20 -1.510 5.552 6.009 1.00 54.52 C ATOM 312 CE LYS A 20 -0.116 5.052 5.633 1.00 73.33 C ATOM 313 NZ LYS A 20 0.306 5.665 4.358 1.00 33.12 N ATOM 0 H LYS A 20 -3.612 1.300 7.286 1.00 25.21 H new ATOM 0 HA LYS A 20 -4.700 3.884 7.506 1.00 1.34 H new ATOM 0 HB2 LYS A 20 -2.445 3.078 8.285 1.00 40.35 H new ATOM 0 HB3 LYS A 20 -1.933 2.935 6.615 1.00 40.35 H new ATOM 0 HG2 LYS A 20 -2.861 5.601 7.674 1.00 70.45 H new ATOM 0 HG3 LYS A 20 -1.257 5.019 8.071 1.00 70.45 H new ATOM 0 HD2 LYS A 20 -2.202 5.309 5.203 1.00 54.52 H new ATOM 0 HD3 LYS A 20 -1.486 6.639 6.092 1.00 54.52 H new ATOM 0 HE2 LYS A 20 0.595 5.302 6.420 1.00 73.33 H new ATOM 0 HE3 LYS A 20 -0.121 3.966 5.541 1.00 73.33 H new ATOM 0 HZ1 LYS A 20 1.255 5.322 4.105 1.00 33.12 H new ATOM 0 HZ2 LYS A 20 -0.367 5.405 3.609 1.00 33.12 H new ATOM 0 HZ3 LYS A 20 0.327 6.700 4.461 1.00 33.12 H new ATOM 327 N GLN A 21 -3.923 3.036 4.409 1.00 62.30 N ATOM 328 CA GLN A 21 -4.199 3.406 3.034 1.00 54.34 C ATOM 329 C GLN A 21 -5.634 3.183 2.605 1.00 1.44 C ATOM 330 O GLN A 21 -6.212 4.016 1.912 1.00 60.01 O ATOM 331 CB GLN A 21 -3.285 2.656 2.053 1.00 4.24 C ATOM 332 CG GLN A 21 -3.505 1.135 2.016 1.00 64.32 C ATOM 333 CD GLN A 21 -2.363 0.377 1.365 1.00 62.52 C ATOM 334 OE1 GLN A 21 -2.282 0.182 0.152 1.00 33.31 O ATOM 335 NE2 GLN A 21 -1.487 -0.151 2.257 1.00 61.22 N ATOM 0 H GLN A 21 -3.428 2.151 4.516 1.00 62.30 H new ATOM 0 HA GLN A 21 -4.003 4.478 3.003 1.00 54.34 H new ATOM 0 HB2 GLN A 21 -3.440 3.058 1.052 1.00 4.24 H new ATOM 0 HB3 GLN A 21 -2.247 2.854 2.319 1.00 4.24 H new ATOM 0 HG2 GLN A 21 -3.640 0.770 3.034 1.00 64.32 H new ATOM 0 HG3 GLN A 21 -4.427 0.922 1.476 1.00 64.32 H new ATOM 0 HE21 GLN A 21 -1.596 0.040 3.253 1.00 61.22 H new ATOM 0 HE22 GLN A 21 -0.719 -0.739 1.931 1.00 61.22 H new ATOM 344 N GLU A 22 -6.251 2.058 3.041 1.00 31.24 N ATOM 345 CA GLU A 22 -7.606 1.624 2.715 1.00 25.00 C ATOM 346 C GLU A 22 -8.601 2.636 3.179 1.00 13.01 C ATOM 347 O GLU A 22 -9.589 2.935 2.511 1.00 63.51 O ATOM 348 CB GLU A 22 -7.970 0.248 3.335 1.00 61.00 C ATOM 349 CG GLU A 22 -9.356 -0.258 2.856 1.00 62.04 C ATOM 350 CD GLU A 22 -9.724 -1.653 3.350 1.00 44.34 C ATOM 351 OE1 GLU A 22 -8.974 -2.614 3.033 1.00 30.23 O ATOM 352 OE2 GLU A 22 -10.788 -1.769 4.014 1.00 61.35 O ATOM 0 H GLU A 22 -5.779 1.402 3.663 1.00 31.24 H new ATOM 0 HA GLU A 22 -7.638 1.521 1.630 1.00 25.00 H new ATOM 0 HB2 GLU A 22 -7.206 -0.483 3.069 1.00 61.00 H new ATOM 0 HB3 GLU A 22 -7.970 0.329 4.422 1.00 61.00 H new ATOM 0 HG2 GLU A 22 -10.120 0.445 3.188 1.00 62.04 H new ATOM 0 HG3 GLU A 22 -9.373 -0.256 1.766 1.00 62.04 H new ATOM 359 N LEU A 23 -8.326 3.201 4.361 1.00 1.54 N ATOM 360 CA LEU A 23 -9.226 4.157 4.968 1.00 22.44 C ATOM 361 C LEU A 23 -8.978 5.544 4.395 1.00 24.13 C ATOM 362 O LEU A 23 -9.732 6.473 4.679 1.00 72.55 O ATOM 363 CB LEU A 23 -9.039 4.251 6.494 1.00 31.30 C ATOM 364 CG LEU A 23 -9.217 2.927 7.266 1.00 5.43 C ATOM 365 CD1 LEU A 23 -9.426 3.055 8.777 1.00 71.20 C ATOM 366 CD2 LEU A 23 -9.898 1.711 6.627 1.00 50.35 C ATOM 0 H LEU A 23 -7.486 3.005 4.906 1.00 1.54 H new ATOM 0 HA LEU A 23 -10.236 3.809 4.751 1.00 22.44 H new ATOM 0 HB2 LEU A 23 -8.041 4.639 6.697 1.00 31.30 H new ATOM 0 HB3 LEU A 23 -9.750 4.979 6.886 1.00 31.30 H new ATOM 0 HG LEU A 23 -8.189 2.599 7.111 1.00 5.43 H new ATOM 0 HD11 LEU A 23 -9.539 2.063 9.214 1.00 71.20 H new ATOM 0 HD12 LEU A 23 -8.564 3.552 9.223 1.00 71.20 H new ATOM 0 HD13 LEU A 23 -10.324 3.642 8.972 1.00 71.20 H new ATOM 0 HD21 LEU A 23 -9.918 0.888 7.342 1.00 50.35 H new ATOM 0 HD22 LEU A 23 -10.918 1.972 6.345 1.00 50.35 H new ATOM 0 HD23 LEU A 23 -9.342 1.407 5.740 1.00 50.35 H new ATOM 378 N ASN A 24 -7.901 5.695 3.577 1.00 11.11 N ATOM 379 CA ASN A 24 -7.393 6.919 3.001 1.00 60.24 C ATOM 380 C ASN A 24 -7.045 7.982 4.044 1.00 30.04 C ATOM 381 O ASN A 24 -7.377 9.158 3.899 1.00 13.30 O ATOM 382 CB ASN A 24 -8.398 7.481 1.966 1.00 1.42 C ATOM 383 CG ASN A 24 -8.673 6.666 0.694 1.00 12.22 C ATOM 384 OD1 ASN A 24 -9.656 6.957 0.005 1.00 4.32 O ATOM 385 ND2 ASN A 24 -7.834 5.664 0.338 1.00 44.34 N ATOM 0 H ASN A 24 -7.341 4.890 3.297 1.00 11.11 H new ATOM 0 HA ASN A 24 -6.458 6.664 2.503 1.00 60.24 H new ATOM 0 HB2 ASN A 24 -9.350 7.631 2.476 1.00 1.42 H new ATOM 0 HB3 ASN A 24 -8.042 8.465 1.659 1.00 1.42 H new ATOM 0 HD21 ASN A 24 -8.008 5.132 -0.515 1.00 44.34 H new ATOM 0 HD22 ASN A 24 -7.028 5.441 0.923 1.00 44.34 H new ATOM 392 N VAL A 25 -6.348 7.579 5.127 1.00 50.13 N ATOM 393 CA VAL A 25 -6.048 8.431 6.268 1.00 64.24 C ATOM 394 C VAL A 25 -4.543 8.590 6.397 1.00 52.33 C ATOM 395 O VAL A 25 -3.796 7.774 5.858 1.00 54.25 O ATOM 396 CB VAL A 25 -6.645 7.907 7.577 1.00 73.20 C ATOM 397 CG1 VAL A 25 -8.181 7.914 7.480 1.00 3.10 C ATOM 398 CG2 VAL A 25 -6.116 6.498 7.912 1.00 22.40 C ATOM 0 H VAL A 25 -5.977 6.634 5.222 1.00 50.13 H new ATOM 0 HA VAL A 25 -6.513 9.400 6.085 1.00 64.24 H new ATOM 0 HB VAL A 25 -6.338 8.565 8.390 1.00 73.20 H new ATOM 0 HG11 VAL A 25 -8.606 7.541 8.412 1.00 3.10 H new ATOM 0 HG12 VAL A 25 -8.530 8.932 7.304 1.00 3.10 H new ATOM 0 HG13 VAL A 25 -8.496 7.274 6.656 1.00 3.10 H new ATOM 0 HG21 VAL A 25 -6.559 6.156 8.847 1.00 22.40 H new ATOM 0 HG22 VAL A 25 -6.382 5.809 7.110 1.00 22.40 H new ATOM 0 HG23 VAL A 25 -5.031 6.532 8.016 1.00 22.40 H new ATOM 408 N PRO A 26 -4.015 9.621 7.050 1.00 62.51 N ATOM 409 CA PRO A 26 -2.583 9.755 7.264 1.00 32.13 C ATOM 410 C PRO A 26 -2.043 8.817 8.331 1.00 71.14 C ATOM 411 O PRO A 26 -2.778 8.251 9.139 1.00 41.25 O ATOM 412 CB PRO A 26 -2.417 11.228 7.677 1.00 51.23 C ATOM 413 CG PRO A 26 -3.740 11.571 8.361 1.00 43.13 C ATOM 414 CD PRO A 26 -4.754 10.796 7.523 1.00 45.10 C ATOM 0 HA PRO A 26 -2.018 9.486 6.372 1.00 32.13 H new ATOM 0 HB2 PRO A 26 -1.572 11.360 8.353 1.00 51.23 H new ATOM 0 HB3 PRO A 26 -2.237 11.867 6.813 1.00 51.23 H new ATOM 0 HG2 PRO A 26 -3.751 11.257 9.405 1.00 43.13 H new ATOM 0 HG3 PRO A 26 -3.938 12.643 8.349 1.00 43.13 H new ATOM 0 HD2 PRO A 26 -5.622 10.507 8.116 1.00 45.10 H new ATOM 0 HD3 PRO A 26 -5.122 11.395 6.690 1.00 45.10 H new ATOM 422 N ASP A 27 -0.700 8.692 8.353 1.00 24.44 N ATOM 423 CA ASP A 27 0.112 7.888 9.246 1.00 54.11 C ATOM 424 C ASP A 27 -0.019 8.399 10.675 1.00 10.24 C ATOM 425 O ASP A 27 0.155 7.669 11.645 1.00 52.44 O ATOM 426 CB ASP A 27 1.582 7.916 8.741 1.00 23.32 C ATOM 427 CG ASP A 27 2.486 6.922 9.471 1.00 71.21 C ATOM 428 OD1 ASP A 27 3.463 7.385 10.113 1.00 33.34 O ATOM 429 OD2 ASP A 27 2.212 5.700 9.365 1.00 33.01 O ATOM 0 H ASP A 27 -0.121 9.200 7.684 1.00 24.44 H new ATOM 0 HA ASP A 27 -0.230 6.853 9.249 1.00 54.11 H new ATOM 0 HB2 ASP A 27 1.597 7.696 7.674 1.00 23.32 H new ATOM 0 HB3 ASP A 27 1.983 8.922 8.865 1.00 23.32 H new ATOM 434 N ALA A 28 -0.370 9.690 10.808 1.00 52.12 N ATOM 435 CA ALA A 28 -0.677 10.369 12.037 1.00 42.21 C ATOM 436 C ALA A 28 -1.846 9.766 12.792 1.00 64.11 C ATOM 437 O ALA A 28 -1.892 9.814 14.018 1.00 74.01 O ATOM 438 CB ALA A 28 -0.996 11.840 11.737 1.00 74.14 C ATOM 0 H ALA A 28 -0.446 10.307 9.999 1.00 52.12 H new ATOM 0 HA ALA A 28 0.203 10.267 12.673 1.00 42.21 H new ATOM 0 HB1 ALA A 28 -1.229 12.359 12.667 1.00 74.14 H new ATOM 0 HB2 ALA A 28 -0.133 12.311 11.266 1.00 74.14 H new ATOM 0 HB3 ALA A 28 -1.852 11.897 11.065 1.00 74.14 H new ATOM 444 N VAL A 29 -2.848 9.196 12.097 1.00 2.01 N ATOM 445 CA VAL A 29 -4.036 8.784 12.821 1.00 60.23 C ATOM 446 C VAL A 29 -4.060 7.293 13.077 1.00 74.21 C ATOM 447 O VAL A 29 -4.699 6.837 14.020 1.00 70.14 O ATOM 448 CB VAL A 29 -5.303 9.222 12.143 1.00 75.40 C ATOM 449 CG1 VAL A 29 -5.270 10.733 11.815 1.00 1.40 C ATOM 450 CG2 VAL A 29 -5.749 8.306 11.003 1.00 60.43 C ATOM 0 H VAL A 29 -2.853 9.023 11.092 1.00 2.01 H new ATOM 0 HA VAL A 29 -3.986 9.290 13.785 1.00 60.23 H new ATOM 0 HB VAL A 29 -6.115 9.100 12.860 1.00 75.40 H new ATOM 0 HG11 VAL A 29 -6.201 11.019 11.325 1.00 1.40 H new ATOM 0 HG12 VAL A 29 -5.155 11.303 12.737 1.00 1.40 H new ATOM 0 HG13 VAL A 29 -4.431 10.943 11.152 1.00 1.40 H new ATOM 0 HG21 VAL A 29 -6.670 8.691 10.566 1.00 60.43 H new ATOM 0 HG22 VAL A 29 -4.972 8.271 10.239 1.00 60.43 H new ATOM 0 HG23 VAL A 29 -5.923 7.302 11.390 1.00 60.43 H new ATOM 460 N MET A 30 -3.325 6.473 12.296 1.00 43.41 N ATOM 461 CA MET A 30 -3.118 5.075 12.661 1.00 40.41 C ATOM 462 C MET A 30 -2.249 4.964 13.910 1.00 34.20 C ATOM 463 O MET A 30 -2.443 4.086 14.747 1.00 74.35 O ATOM 464 CB MET A 30 -2.515 4.240 11.496 1.00 22.03 C ATOM 465 CG MET A 30 -1.048 4.552 11.142 1.00 53.40 C ATOM 466 SD MET A 30 0.210 3.534 11.984 1.00 64.31 S ATOM 467 CE MET A 30 -0.019 2.056 10.953 1.00 14.44 C ATOM 0 H MET A 30 -2.876 6.758 11.425 1.00 43.41 H new ATOM 0 HA MET A 30 -4.100 4.656 12.878 1.00 40.41 H new ATOM 0 HB2 MET A 30 -2.591 3.183 11.753 1.00 22.03 H new ATOM 0 HB3 MET A 30 -3.126 4.397 10.607 1.00 22.03 H new ATOM 0 HG2 MET A 30 -0.921 4.434 10.066 1.00 53.40 H new ATOM 0 HG3 MET A 30 -0.854 5.599 11.373 1.00 53.40 H new ATOM 0 HE1 MET A 30 0.743 1.317 11.202 1.00 14.44 H new ATOM 0 HE2 MET A 30 -1.007 1.634 11.137 1.00 14.44 H new ATOM 0 HE3 MET A 30 0.069 2.329 9.901 1.00 14.44 H new ATOM 477 N GLN A 31 -1.294 5.913 14.100 1.00 2.41 N ATOM 478 CA GLN A 31 -0.434 5.960 15.264 1.00 71.43 C ATOM 479 C GLN A 31 -1.143 6.482 16.486 1.00 40.55 C ATOM 480 O GLN A 31 -0.720 6.243 17.615 1.00 20.53 O ATOM 481 CB GLN A 31 0.885 6.723 14.982 1.00 10.54 C ATOM 482 CG GLN A 31 0.893 8.243 14.727 1.00 73.11 C ATOM 483 CD GLN A 31 0.899 9.083 15.998 1.00 73.43 C ATOM 484 OE1 GLN A 31 1.888 9.157 16.730 1.00 42.41 O ATOM 485 NE2 GLN A 31 -0.264 9.731 16.251 1.00 0.20 N ATOM 0 H GLN A 31 -1.116 6.663 13.432 1.00 2.41 H new ATOM 0 HA GLN A 31 -0.161 4.929 15.487 1.00 71.43 H new ATOM 0 HB2 GLN A 31 1.545 6.540 15.830 1.00 10.54 H new ATOM 0 HB3 GLN A 31 1.344 6.253 14.113 1.00 10.54 H new ATOM 0 HG2 GLN A 31 1.770 8.497 14.132 1.00 73.11 H new ATOM 0 HG3 GLN A 31 0.018 8.506 14.133 1.00 73.11 H new ATOM 0 HE21 GLN A 31 -1.052 9.634 15.610 1.00 0.20 H new ATOM 0 HE22 GLN A 31 -0.352 10.316 17.082 1.00 0.20 H new ATOM 494 N ASP A 32 -2.312 7.135 16.299 1.00 10.22 N ATOM 495 CA ASP A 32 -3.199 7.464 17.404 1.00 32.11 C ATOM 496 C ASP A 32 -3.672 6.222 18.171 1.00 43.12 C ATOM 497 O ASP A 32 -3.750 6.241 19.394 1.00 72.10 O ATOM 498 CB ASP A 32 -4.442 8.247 16.923 1.00 51.33 C ATOM 499 CG ASP A 32 -4.202 9.703 16.544 1.00 53.40 C ATOM 500 OD1 ASP A 32 -3.148 10.270 16.924 1.00 41.24 O ATOM 501 OD2 ASP A 32 -5.130 10.275 15.907 1.00 44.31 O ATOM 0 H ASP A 32 -2.651 7.439 15.386 1.00 10.22 H new ATOM 0 HA ASP A 32 -2.608 8.086 18.076 1.00 32.11 H new ATOM 0 HB2 ASP A 32 -4.862 7.731 16.060 1.00 51.33 H new ATOM 0 HB3 ASP A 32 -5.195 8.215 17.710 1.00 51.33 H new ATOM 506 N PHE A 33 -3.951 5.104 17.467 1.00 1.11 N ATOM 507 CA PHE A 33 -4.191 3.788 18.054 1.00 61.21 C ATOM 508 C PHE A 33 -3.018 3.225 18.854 1.00 33.44 C ATOM 509 O PHE A 33 -3.207 2.641 19.914 1.00 60.00 O ATOM 510 CB PHE A 33 -4.715 2.833 16.945 1.00 33.30 C ATOM 511 CG PHE A 33 -4.791 1.363 17.278 1.00 73.41 C ATOM 512 CD1 PHE A 33 -3.953 0.468 16.588 1.00 32.44 C ATOM 513 CD2 PHE A 33 -5.642 0.863 18.272 1.00 63.10 C ATOM 514 CE1 PHE A 33 -4.005 -0.907 16.847 1.00 24.11 C ATOM 515 CE2 PHE A 33 -5.717 -0.516 18.515 1.00 23.25 C ATOM 516 CZ PHE A 33 -4.896 -1.401 17.805 1.00 62.51 C ATOM 0 H PHE A 33 -4.015 5.102 16.449 1.00 1.11 H new ATOM 0 HA PHE A 33 -4.960 3.894 18.819 1.00 61.21 H new ATOM 0 HB2 PHE A 33 -5.712 3.166 16.657 1.00 33.30 H new ATOM 0 HB3 PHE A 33 -4.075 2.948 16.070 1.00 33.30 H new ATOM 0 HD1 PHE A 33 -3.261 0.846 15.850 1.00 32.44 H new ATOM 0 HD2 PHE A 33 -6.244 1.544 18.855 1.00 63.10 H new ATOM 0 HE1 PHE A 33 -3.359 -1.584 16.308 1.00 24.11 H new ATOM 0 HE2 PHE A 33 -6.409 -0.896 19.251 1.00 23.25 H new ATOM 0 HZ PHE A 33 -4.951 -2.462 17.997 1.00 62.51 H new ATOM 526 N PHE A 34 -1.768 3.384 18.386 1.00 62.30 N ATOM 527 CA PHE A 34 -0.583 2.996 19.159 1.00 62.21 C ATOM 528 C PHE A 34 -0.421 3.797 20.456 1.00 12.20 C ATOM 529 O PHE A 34 -0.171 3.240 21.523 1.00 42.11 O ATOM 530 CB PHE A 34 0.725 3.149 18.333 1.00 54.32 C ATOM 531 CG PHE A 34 0.915 2.038 17.331 1.00 13.31 C ATOM 532 CD1 PHE A 34 1.735 0.946 17.669 1.00 1.13 C ATOM 533 CD2 PHE A 34 0.323 2.068 16.056 1.00 73.02 C ATOM 534 CE1 PHE A 34 2.012 -0.059 16.734 1.00 0.13 C ATOM 535 CE2 PHE A 34 0.593 1.063 15.119 1.00 14.04 C ATOM 536 CZ PHE A 34 1.453 0.010 15.454 1.00 64.44 C ATOM 0 H PHE A 34 -1.555 3.781 17.471 1.00 62.30 H new ATOM 0 HA PHE A 34 -0.748 1.948 19.410 1.00 62.21 H new ATOM 0 HB2 PHE A 34 0.710 4.105 17.810 1.00 54.32 H new ATOM 0 HB3 PHE A 34 1.578 3.170 19.012 1.00 54.32 H new ATOM 0 HD1 PHE A 34 2.156 0.882 18.662 1.00 1.13 H new ATOM 0 HD2 PHE A 34 -0.347 2.874 15.797 1.00 73.02 H new ATOM 0 HE1 PHE A 34 2.655 -0.885 17.001 1.00 0.13 H new ATOM 0 HE2 PHE A 34 0.139 1.100 14.140 1.00 14.04 H new ATOM 0 HZ PHE A 34 1.685 -0.750 14.723 1.00 64.44 H new ATOM 546 N ASN A 35 -0.615 5.133 20.384 1.00 2.42 N ATOM 547 CA ASN A 35 -0.628 6.080 21.488 1.00 52.32 C ATOM 548 C ASN A 35 -1.774 5.896 22.465 1.00 44.42 C ATOM 549 O ASN A 35 -1.670 6.279 23.624 1.00 61.02 O ATOM 550 CB ASN A 35 -0.654 7.528 20.954 1.00 65.20 C ATOM 551 CG ASN A 35 0.726 7.935 20.439 1.00 34.04 C ATOM 552 OD1 ASN A 35 1.615 8.275 21.223 1.00 72.02 O ATOM 553 ND2 ASN A 35 0.907 7.904 19.099 1.00 50.50 N ATOM 0 H ASN A 35 -0.776 5.594 19.488 1.00 2.42 H new ATOM 0 HA ASN A 35 0.289 5.881 22.042 1.00 52.32 H new ATOM 0 HB2 ASN A 35 -1.387 7.613 20.152 1.00 65.20 H new ATOM 0 HB3 ASN A 35 -0.968 8.208 21.746 1.00 65.20 H new ATOM 0 HD21 ASN A 35 1.808 8.169 18.700 1.00 50.50 H new ATOM 0 HD22 ASN A 35 0.143 7.616 18.488 1.00 50.50 H new ATOM 560 N PHE A 36 -2.891 5.286 22.027 1.00 55.34 N ATOM 561 CA PHE A 36 -4.107 5.043 22.784 1.00 1.33 C ATOM 562 C PHE A 36 -3.834 4.248 24.053 1.00 1.23 C ATOM 563 O PHE A 36 -4.422 4.500 25.101 1.00 24.13 O ATOM 564 CB PHE A 36 -5.115 4.304 21.858 1.00 62.54 C ATOM 565 CG PHE A 36 -6.451 4.050 22.480 1.00 43.24 C ATOM 566 CD1 PHE A 36 -6.691 2.866 23.193 1.00 5.42 C ATOM 567 CD2 PHE A 36 -7.476 4.996 22.353 1.00 74.15 C ATOM 568 CE1 PHE A 36 -7.933 2.639 23.790 1.00 25.22 C ATOM 569 CE2 PHE A 36 -8.713 4.784 22.965 1.00 72.23 C ATOM 570 CZ PHE A 36 -8.937 3.600 23.672 1.00 64.34 C ATOM 0 H PHE A 36 -2.960 4.932 21.073 1.00 55.34 H new ATOM 0 HA PHE A 36 -4.529 5.994 23.108 1.00 1.33 H new ATOM 0 HB2 PHE A 36 -5.256 4.892 20.951 1.00 62.54 H new ATOM 0 HB3 PHE A 36 -4.681 3.351 21.556 1.00 62.54 H new ATOM 0 HD1 PHE A 36 -5.910 2.125 23.281 1.00 5.42 H new ATOM 0 HD2 PHE A 36 -7.309 5.895 21.778 1.00 74.15 H new ATOM 0 HE1 PHE A 36 -8.115 1.727 24.339 1.00 25.22 H new ATOM 0 HE2 PHE A 36 -9.491 5.530 22.892 1.00 72.23 H new ATOM 0 HZ PHE A 36 -9.898 3.427 24.132 1.00 64.34 H new ATOM 580 N TRP A 37 -2.936 3.247 23.969 1.00 14.25 N ATOM 581 CA TRP A 37 -2.634 2.350 25.063 1.00 31.23 C ATOM 582 C TRP A 37 -1.647 2.965 26.049 1.00 25.45 C ATOM 583 O TRP A 37 -1.390 2.395 27.108 1.00 31.24 O ATOM 584 CB TRP A 37 -2.059 1.025 24.511 1.00 14.42 C ATOM 585 CG TRP A 37 -2.990 0.376 23.502 1.00 41.02 C ATOM 586 CD1 TRP A 37 -2.777 0.297 22.154 1.00 0.44 C ATOM 587 CD2 TRP A 37 -4.355 -0.033 23.722 1.00 21.24 C ATOM 588 NE1 TRP A 37 -3.903 -0.167 21.515 1.00 43.24 N ATOM 589 CE2 TRP A 37 -4.890 -0.353 22.456 1.00 3.30 C ATOM 590 CE3 TRP A 37 -5.140 -0.111 24.874 1.00 61.50 C ATOM 591 CZ2 TRP A 37 -6.217 -0.728 22.321 1.00 65.00 C ATOM 592 CZ3 TRP A 37 -6.490 -0.476 24.728 1.00 34.32 C ATOM 593 CH2 TRP A 37 -7.027 -0.757 23.462 1.00 13.53 C ATOM 0 H TRP A 37 -2.402 3.050 23.122 1.00 14.25 H new ATOM 0 HA TRP A 37 -3.564 2.159 25.598 1.00 31.23 H new ATOM 0 HB2 TRP A 37 -1.094 1.216 24.042 1.00 14.42 H new ATOM 0 HB3 TRP A 37 -1.882 0.335 25.336 1.00 14.42 H new ATOM 0 HD1 TRP A 37 -1.854 0.562 21.660 1.00 0.44 H new ATOM 0 HE1 TRP A 37 -3.992 -0.343 20.514 1.00 43.24 H new ATOM 0 HE3 TRP A 37 -4.723 0.102 25.847 1.00 61.50 H new ATOM 0 HZ2 TRP A 37 -6.619 -0.993 21.354 1.00 65.00 H new ATOM 0 HZ3 TRP A 37 -7.122 -0.541 25.601 1.00 34.32 H new ATOM 0 HH2 TRP A 37 -8.076 -0.998 23.367 1.00 13.53 H new ATOM 604 N LYS A 38 -1.067 4.151 25.731 1.00 15.02 N ATOM 605 CA LYS A 38 -0.195 4.889 26.639 1.00 4.31 C ATOM 606 C LYS A 38 -0.940 5.354 27.891 1.00 63.53 C ATOM 607 O LYS A 38 -2.049 5.886 27.820 1.00 23.45 O ATOM 608 CB LYS A 38 0.432 6.130 25.944 1.00 4.12 C ATOM 609 CG LYS A 38 1.448 6.948 26.770 1.00 10.10 C ATOM 610 CD LYS A 38 2.734 6.190 27.162 1.00 40.32 C ATOM 611 CE LYS A 38 3.588 5.753 25.970 1.00 24.45 C ATOM 612 NZ LYS A 38 4.828 5.114 26.455 1.00 54.03 N ATOM 0 H LYS A 38 -1.201 4.611 24.831 1.00 15.02 H new ATOM 0 HA LYS A 38 0.595 4.197 26.930 1.00 4.31 H new ATOM 0 HB2 LYS A 38 0.926 5.796 25.032 1.00 4.12 H new ATOM 0 HB3 LYS A 38 -0.377 6.796 25.643 1.00 4.12 H new ATOM 0 HG2 LYS A 38 1.727 7.834 26.200 1.00 10.10 H new ATOM 0 HG3 LYS A 38 0.958 7.295 27.680 1.00 10.10 H new ATOM 0 HD2 LYS A 38 3.335 6.826 27.812 1.00 40.32 H new ATOM 0 HD3 LYS A 38 2.461 5.309 27.743 1.00 40.32 H new ATOM 0 HE2 LYS A 38 3.029 5.057 25.345 1.00 24.45 H new ATOM 0 HE3 LYS A 38 3.830 6.615 25.348 1.00 24.45 H new ATOM 0 HZ1 LYS A 38 5.407 4.818 25.643 1.00 54.03 H new ATOM 0 HZ2 LYS A 38 5.364 5.792 27.034 1.00 54.03 H new ATOM 0 HZ3 LYS A 38 4.588 4.282 27.030 1.00 54.03 H new ATOM 626 N GLU A 39 -0.343 5.170 29.095 1.00 12.12 N ATOM 627 CA GLU A 39 -0.987 5.523 30.348 1.00 12.14 C ATOM 628 C GLU A 39 -1.244 7.019 30.468 1.00 15.11 C ATOM 629 O GLU A 39 -0.340 7.843 30.345 1.00 53.03 O ATOM 630 CB GLU A 39 -0.137 5.080 31.572 1.00 74.41 C ATOM 631 CG GLU A 39 -0.020 3.548 31.775 1.00 35.40 C ATOM 632 CD GLU A 39 -1.341 2.914 32.210 1.00 74.23 C ATOM 633 OE1 GLU A 39 -1.793 1.962 31.527 1.00 64.41 O ATOM 634 OE2 GLU A 39 -1.906 3.378 33.240 1.00 72.51 O ATOM 0 H GLU A 39 0.591 4.775 29.206 1.00 12.12 H new ATOM 0 HA GLU A 39 -1.941 4.995 30.344 1.00 12.14 H new ATOM 0 HB2 GLU A 39 0.866 5.494 31.467 1.00 74.41 H new ATOM 0 HB3 GLU A 39 -0.569 5.518 32.472 1.00 74.41 H new ATOM 0 HG2 GLU A 39 0.313 3.086 30.846 1.00 35.40 H new ATOM 0 HG3 GLU A 39 0.743 3.341 32.525 1.00 35.40 H new ATOM 641 N GLY A 40 -2.520 7.390 30.725 1.00 0.40 N ATOM 642 CA GLY A 40 -2.940 8.767 30.929 1.00 41.35 C ATOM 643 C GLY A 40 -3.164 9.561 29.667 1.00 74.55 C ATOM 644 O GLY A 40 -3.523 10.732 29.746 1.00 4.40 O ATOM 0 H GLY A 40 -3.286 6.720 30.794 1.00 0.40 H new ATOM 0 HA2 GLY A 40 -3.863 8.767 31.508 1.00 41.35 H new ATOM 0 HA3 GLY A 40 -2.186 9.275 31.531 1.00 41.35 H new ATOM 648 N TYR A 41 -2.956 8.974 28.466 1.00 3.04 N ATOM 649 CA TYR A 41 -2.980 9.734 27.238 1.00 42.13 C ATOM 650 C TYR A 41 -4.380 9.794 26.675 1.00 24.32 C ATOM 651 O TYR A 41 -5.093 8.797 26.571 1.00 75.53 O ATOM 652 CB TYR A 41 -2.017 9.119 26.199 1.00 13.00 C ATOM 653 CG TYR A 41 -1.658 10.088 25.115 1.00 3.45 C ATOM 654 CD1 TYR A 41 -1.993 9.899 23.768 1.00 63.41 C ATOM 655 CD2 TYR A 41 -0.912 11.214 25.490 1.00 54.41 C ATOM 656 CE1 TYR A 41 -1.597 10.843 22.807 1.00 43.54 C ATOM 657 CE2 TYR A 41 -0.516 12.159 24.534 1.00 32.14 C ATOM 658 CZ TYR A 41 -0.864 11.973 23.189 1.00 72.21 C ATOM 659 OH TYR A 41 -0.473 12.915 22.216 1.00 3.21 O ATOM 0 H TYR A 41 -2.772 7.978 28.342 1.00 3.04 H new ATOM 0 HA TYR A 41 -2.651 10.749 27.462 1.00 42.13 H new ATOM 0 HB2 TYR A 41 -1.109 8.786 26.701 1.00 13.00 H new ATOM 0 HB3 TYR A 41 -2.479 8.236 25.756 1.00 13.00 H new ATOM 0 HD1 TYR A 41 -2.556 9.027 23.469 1.00 63.41 H new ATOM 0 HD2 TYR A 41 -0.640 11.355 26.526 1.00 54.41 H new ATOM 0 HE1 TYR A 41 -1.859 10.697 21.769 1.00 43.54 H new ATOM 0 HE2 TYR A 41 0.054 13.026 24.832 1.00 32.14 H new ATOM 0 HH TYR A 41 0.027 13.640 22.645 1.00 3.21 H new ATOM 669 N GLN A 42 -4.807 11.009 26.291 1.00 12.51 N ATOM 670 CA GLN A 42 -6.127 11.197 25.756 1.00 14.32 C ATOM 671 C GLN A 42 -6.098 11.138 24.240 1.00 3.11 C ATOM 672 O GLN A 42 -5.484 11.947 23.543 1.00 54.25 O ATOM 673 CB GLN A 42 -6.796 12.491 26.298 1.00 34.44 C ATOM 674 CG GLN A 42 -6.327 13.845 25.738 1.00 2.44 C ATOM 675 CD GLN A 42 -4.914 14.250 26.156 1.00 34.00 C ATOM 676 OE1 GLN A 42 -4.683 14.759 27.254 1.00 75.52 O ATOM 677 NE2 GLN A 42 -3.932 14.019 25.243 1.00 31.24 N ATOM 0 H GLN A 42 -4.246 11.859 26.348 1.00 12.51 H new ATOM 0 HA GLN A 42 -6.756 10.376 26.100 1.00 14.32 H new ATOM 0 HB2 GLN A 42 -7.868 12.411 26.119 1.00 34.44 H new ATOM 0 HB3 GLN A 42 -6.654 12.511 27.379 1.00 34.44 H new ATOM 0 HG2 GLN A 42 -6.374 13.809 24.650 1.00 2.44 H new ATOM 0 HG3 GLN A 42 -7.024 14.618 26.062 1.00 2.44 H new ATOM 0 HE21 GLN A 42 -4.161 13.596 24.344 1.00 31.24 H new ATOM 0 HE22 GLN A 42 -2.967 14.269 25.458 1.00 31.24 H new ATOM 686 N ILE A 43 -6.802 10.134 23.694 1.00 55.41 N ATOM 687 CA ILE A 43 -7.178 10.062 22.299 1.00 33.04 C ATOM 688 C ILE A 43 -8.651 10.375 22.161 1.00 62.14 C ATOM 689 O ILE A 43 -9.509 9.735 22.765 1.00 11.35 O ATOM 690 CB ILE A 43 -6.889 8.697 21.739 1.00 35.53 C ATOM 691 CG1 ILE A 43 -5.395 8.357 21.900 1.00 73.11 C ATOM 692 CG2 ILE A 43 -7.330 8.561 20.263 1.00 54.53 C ATOM 693 CD1 ILE A 43 -4.438 9.294 21.161 1.00 43.13 C ATOM 0 H ILE A 43 -7.128 9.335 24.237 1.00 55.41 H new ATOM 0 HA ILE A 43 -6.593 10.791 21.738 1.00 33.04 H new ATOM 0 HB ILE A 43 -7.478 7.980 22.310 1.00 35.53 H new ATOM 0 HG12 ILE A 43 -5.147 8.371 22.961 1.00 73.11 H new ATOM 0 HG13 ILE A 43 -5.229 7.339 21.547 1.00 73.11 H new ATOM 0 HG21 ILE A 43 -7.100 7.557 19.905 1.00 54.53 H new ATOM 0 HG22 ILE A 43 -8.403 8.736 20.186 1.00 54.53 H new ATOM 0 HG23 ILE A 43 -6.799 9.294 19.656 1.00 54.53 H new ATOM 0 HD11 ILE A 43 -3.410 8.975 21.334 1.00 43.13 H new ATOM 0 HD12 ILE A 43 -4.652 9.264 20.093 1.00 43.13 H new ATOM 0 HD13 ILE A 43 -4.569 10.312 21.529 1.00 43.13 H new ATOM 705 N THR A 44 -8.965 11.405 21.350 1.00 41.23 N ATOM 706 CA THR A 44 -10.316 11.921 21.161 1.00 61.32 C ATOM 707 C THR A 44 -10.674 11.959 19.689 1.00 62.43 C ATOM 708 O THR A 44 -11.710 12.496 19.308 1.00 0.43 O ATOM 709 CB THR A 44 -10.513 13.311 21.771 1.00 43.11 C ATOM 710 OG1 THR A 44 -9.636 14.287 21.212 1.00 32.23 O ATOM 711 CG2 THR A 44 -10.253 13.258 23.291 1.00 22.42 C ATOM 0 H THR A 44 -8.265 11.905 20.801 1.00 41.23 H new ATOM 0 HA THR A 44 -10.981 11.235 21.686 1.00 61.32 H new ATOM 0 HB THR A 44 -11.540 13.602 21.552 1.00 43.11 H new ATOM 0 HG1 THR A 44 -9.803 15.156 21.633 1.00 32.23 H new ATOM 0 HG21 THR A 44 -10.395 14.250 23.719 1.00 22.42 H new ATOM 0 HG22 THR A 44 -10.949 12.560 23.755 1.00 22.42 H new ATOM 0 HG23 THR A 44 -9.231 12.927 23.474 1.00 22.42 H new ATOM 719 N ASN A 45 -9.795 11.427 18.812 1.00 34.14 N ATOM 720 CA ASN A 45 -9.867 11.621 17.382 1.00 42.51 C ATOM 721 C ASN A 45 -10.665 10.528 16.714 1.00 41.13 C ATOM 722 O ASN A 45 -10.398 9.343 16.891 1.00 73.14 O ATOM 723 CB ASN A 45 -8.443 11.706 16.780 1.00 53.43 C ATOM 724 CG ASN A 45 -8.473 12.175 15.326 1.00 24.04 C ATOM 725 OD1 ASN A 45 -9.357 12.927 14.911 1.00 25.01 O ATOM 726 ND2 ASN A 45 -7.493 11.689 14.531 1.00 43.21 N ATOM 0 H ASN A 45 -9.010 10.844 19.102 1.00 34.14 H new ATOM 0 HA ASN A 45 -10.384 12.563 17.197 1.00 42.51 H new ATOM 0 HB2 ASN A 45 -7.838 12.393 17.372 1.00 53.43 H new ATOM 0 HB3 ASN A 45 -7.964 10.728 16.838 1.00 53.43 H new ATOM 0 HD21 ASN A 45 -7.465 11.942 13.543 1.00 43.21 H new ATOM 0 HD22 ASN A 45 -6.782 11.069 14.919 1.00 43.21 H new ATOM 733 N ARG A 46 -11.625 10.925 15.856 1.00 52.14 N ATOM 734 CA ARG A 46 -12.578 10.066 15.188 1.00 11.35 C ATOM 735 C ARG A 46 -11.937 9.018 14.297 1.00 25.44 C ATOM 736 O ARG A 46 -12.402 7.885 14.203 1.00 2.43 O ATOM 737 CB ARG A 46 -13.553 10.942 14.385 1.00 3.43 C ATOM 738 CG ARG A 46 -12.899 11.738 13.245 1.00 74.14 C ATOM 739 CD ARG A 46 -13.834 12.837 12.740 1.00 45.02 C ATOM 740 NE ARG A 46 -15.080 12.197 12.204 1.00 64.14 N ATOM 741 CZ ARG A 46 -16.139 12.928 11.745 1.00 5.55 C ATOM 742 NH1 ARG A 46 -16.041 14.282 11.631 1.00 62.32 N ATOM 743 NH2 ARG A 46 -17.295 12.283 11.415 1.00 12.43 N ATOM 0 H ARG A 46 -11.749 11.907 15.609 1.00 52.14 H new ATOM 0 HA ARG A 46 -13.109 9.504 15.957 1.00 11.35 H new ATOM 0 HB2 ARG A 46 -14.334 10.306 13.967 1.00 3.43 H new ATOM 0 HB3 ARG A 46 -14.041 11.640 15.066 1.00 3.43 H new ATOM 0 HG2 ARG A 46 -11.966 12.181 13.594 1.00 74.14 H new ATOM 0 HG3 ARG A 46 -12.646 11.066 12.425 1.00 74.14 H new ATOM 0 HD2 ARG A 46 -14.080 13.525 13.549 1.00 45.02 H new ATOM 0 HD3 ARG A 46 -13.344 13.422 11.961 1.00 45.02 H new ATOM 0 HE ARG A 46 -15.139 11.179 12.181 1.00 64.14 H new ATOM 0 HH11 ARG A 46 -15.174 14.754 11.889 1.00 62.32 H new ATOM 0 HH12 ARG A 46 -16.834 14.824 11.288 1.00 62.32 H new ATOM 0 HH21 ARG A 46 -17.359 11.270 11.513 1.00 12.43 H new ATOM 0 HH22 ARG A 46 -18.095 12.814 11.071 1.00 12.43 H new ATOM 757 N GLU A 47 -10.779 9.353 13.691 1.00 52.44 N ATOM 758 CA GLU A 47 -9.937 8.435 12.977 1.00 32.22 C ATOM 759 C GLU A 47 -9.362 7.322 13.785 1.00 10.12 C ATOM 760 O GLU A 47 -9.177 6.236 13.244 1.00 2.50 O ATOM 761 CB GLU A 47 -8.792 9.153 12.258 1.00 11.13 C ATOM 762 CG GLU A 47 -9.208 9.811 10.929 1.00 51.21 C ATOM 763 CD GLU A 47 -8.325 10.958 10.449 1.00 44.24 C ATOM 764 OE1 GLU A 47 -8.174 11.939 11.225 1.00 75.33 O ATOM 765 OE2 GLU A 47 -7.812 10.873 9.304 1.00 73.51 O ATOM 0 H GLU A 47 -10.413 10.305 13.699 1.00 52.44 H new ATOM 0 HA GLU A 47 -10.624 7.981 12.262 1.00 32.22 H new ATOM 0 HB2 GLU A 47 -8.383 9.917 12.919 1.00 11.13 H new ATOM 0 HB3 GLU A 47 -7.992 8.438 12.064 1.00 11.13 H new ATOM 0 HG2 GLU A 47 -9.225 9.043 10.156 1.00 51.21 H new ATOM 0 HG3 GLU A 47 -10.228 10.182 11.033 1.00 51.21 H new ATOM 772 N ALA A 48 -9.080 7.546 15.086 1.00 12.42 N ATOM 773 CA ALA A 48 -8.566 6.469 15.929 1.00 31.03 C ATOM 774 C ALA A 48 -9.539 5.302 15.965 1.00 62.32 C ATOM 775 O ALA A 48 -9.166 4.148 15.817 1.00 64.53 O ATOM 776 CB ALA A 48 -8.306 6.921 17.387 1.00 64.32 C ATOM 0 H ALA A 48 -9.199 8.443 15.558 1.00 12.42 H new ATOM 0 HA ALA A 48 -7.618 6.169 15.482 1.00 31.03 H new ATOM 0 HB1 ALA A 48 -7.925 6.080 17.966 1.00 64.32 H new ATOM 0 HB2 ALA A 48 -7.572 7.727 17.393 1.00 64.32 H new ATOM 0 HB3 ALA A 48 -9.237 7.275 17.830 1.00 64.32 H new ATOM 782 N GLY A 49 -10.845 5.602 16.058 1.00 52.24 N ATOM 783 CA GLY A 49 -11.916 4.623 16.008 1.00 54.21 C ATOM 784 C GLY A 49 -12.013 3.896 14.711 1.00 10.23 C ATOM 785 O GLY A 49 -12.235 2.688 14.681 1.00 0.42 O ATOM 0 H GLY A 49 -11.182 6.558 16.173 1.00 52.24 H new ATOM 0 HA2 GLY A 49 -11.769 3.898 16.809 1.00 54.21 H new ATOM 0 HA3 GLY A 49 -12.863 5.126 16.203 1.00 54.21 H new ATOM 789 N CYS A 50 -11.846 4.639 13.597 1.00 63.01 N ATOM 790 CA CYS A 50 -11.923 4.123 12.248 1.00 45.21 C ATOM 791 C CYS A 50 -10.827 3.114 11.982 1.00 42.22 C ATOM 792 O CYS A 50 -11.075 2.075 11.379 1.00 73.20 O ATOM 793 CB CYS A 50 -11.844 5.253 11.188 1.00 31.54 C ATOM 794 SG CYS A 50 -13.269 6.399 11.180 1.00 51.13 S ATOM 0 H CYS A 50 -11.649 5.639 13.631 1.00 63.01 H new ATOM 0 HA CYS A 50 -12.893 3.633 12.162 1.00 45.21 H new ATOM 0 HB2 CYS A 50 -10.934 5.828 11.358 1.00 31.54 H new ATOM 0 HB3 CYS A 50 -11.755 4.800 10.201 1.00 31.54 H new ATOM 799 N VAL A 51 -9.580 3.369 12.450 1.00 44.53 N ATOM 800 CA VAL A 51 -8.527 2.365 12.370 1.00 13.02 C ATOM 801 C VAL A 51 -8.790 1.184 13.279 1.00 54.22 C ATOM 802 O VAL A 51 -8.600 0.040 12.896 1.00 1.03 O ATOM 803 CB VAL A 51 -7.115 2.958 12.546 1.00 45.04 C ATOM 804 CG1 VAL A 51 -6.900 3.806 13.813 1.00 54.10 C ATOM 805 CG2 VAL A 51 -6.069 1.827 12.646 1.00 73.15 C ATOM 0 H VAL A 51 -9.296 4.251 12.877 1.00 44.53 H new ATOM 0 HA VAL A 51 -8.553 1.977 11.352 1.00 13.02 H new ATOM 0 HB VAL A 51 -7.003 3.599 11.671 1.00 45.04 H new ATOM 0 HG11 VAL A 51 -5.874 4.173 13.836 1.00 54.10 H new ATOM 0 HG12 VAL A 51 -7.587 4.652 13.806 1.00 54.10 H new ATOM 0 HG13 VAL A 51 -7.086 3.195 14.696 1.00 54.10 H new ATOM 0 HG21 VAL A 51 -5.076 2.260 12.770 1.00 73.15 H new ATOM 0 HG22 VAL A 51 -6.299 1.194 13.503 1.00 73.15 H new ATOM 0 HG23 VAL A 51 -6.093 1.228 11.736 1.00 73.15 H new ATOM 815 N ILE A 52 -9.308 1.399 14.494 1.00 75.00 N ATOM 816 CA ILE A 52 -9.540 0.328 15.464 1.00 44.12 C ATOM 817 C ILE A 52 -10.504 -0.730 14.962 1.00 65.43 C ATOM 818 O ILE A 52 -10.242 -1.931 15.045 1.00 24.25 O ATOM 819 CB ILE A 52 -10.019 0.926 16.786 1.00 14.42 C ATOM 820 CG1 ILE A 52 -8.847 1.652 17.475 1.00 24.32 C ATOM 821 CG2 ILE A 52 -10.692 -0.134 17.687 1.00 51.05 C ATOM 822 CD1 ILE A 52 -9.173 2.723 18.533 1.00 42.44 C ATOM 0 H ILE A 52 -9.578 2.323 14.831 1.00 75.00 H new ATOM 0 HA ILE A 52 -8.590 -0.184 15.619 1.00 44.12 H new ATOM 0 HB ILE A 52 -10.796 1.664 16.585 1.00 14.42 H new ATOM 0 HG12 ILE A 52 -8.220 0.897 17.949 1.00 24.32 H new ATOM 0 HG13 ILE A 52 -8.245 2.124 16.698 1.00 24.32 H new ATOM 0 HG21 ILE A 52 -11.018 0.333 18.617 1.00 51.05 H new ATOM 0 HG22 ILE A 52 -11.554 -0.556 17.171 1.00 51.05 H new ATOM 0 HG23 ILE A 52 -9.979 -0.928 17.910 1.00 51.05 H new ATOM 0 HD11 ILE A 52 -8.246 3.141 18.925 1.00 42.44 H new ATOM 0 HD12 ILE A 52 -9.765 3.517 18.077 1.00 42.44 H new ATOM 0 HD13 ILE A 52 -9.739 2.270 19.347 1.00 42.44 H new ATOM 834 N LEU A 53 -11.635 -0.296 14.382 1.00 45.32 N ATOM 835 CA LEU A 53 -12.646 -1.177 13.850 1.00 44.44 C ATOM 836 C LEU A 53 -12.238 -1.973 12.633 1.00 13.14 C ATOM 837 O LEU A 53 -12.693 -3.088 12.391 1.00 52.52 O ATOM 838 CB LEU A 53 -13.936 -0.352 13.661 1.00 2.42 C ATOM 839 CG LEU A 53 -14.010 0.790 12.625 1.00 64.13 C ATOM 840 CD1 LEU A 53 -13.895 0.342 11.165 1.00 73.44 C ATOM 841 CD2 LEU A 53 -15.353 1.514 12.822 1.00 4.33 C ATOM 0 H LEU A 53 -11.860 0.693 14.276 1.00 45.32 H new ATOM 0 HA LEU A 53 -12.820 -1.975 14.572 1.00 44.44 H new ATOM 0 HB2 LEU A 53 -14.731 -1.056 13.416 1.00 2.42 H new ATOM 0 HB3 LEU A 53 -14.182 0.081 14.631 1.00 2.42 H new ATOM 0 HG LEU A 53 -13.149 1.435 12.802 1.00 64.13 H new ATOM 0 HD11 LEU A 53 -13.958 1.212 10.511 1.00 73.44 H new ATOM 0 HD12 LEU A 53 -12.939 -0.159 11.012 1.00 73.44 H new ATOM 0 HD13 LEU A 53 -14.707 -0.347 10.931 1.00 73.44 H new ATOM 0 HD21 LEU A 53 -15.436 2.329 12.103 1.00 4.33 H new ATOM 0 HD22 LEU A 53 -16.171 0.810 12.669 1.00 4.33 H new ATOM 0 HD23 LEU A 53 -15.404 1.916 13.834 1.00 4.33 H new ATOM 853 N CYS A 54 -11.325 -1.393 11.855 1.00 71.24 N ATOM 854 CA CYS A 54 -10.643 -1.957 10.735 1.00 73.31 C ATOM 855 C CYS A 54 -9.719 -3.107 11.096 1.00 15.31 C ATOM 856 O CYS A 54 -9.712 -4.105 10.385 1.00 71.52 O ATOM 857 CB CYS A 54 -9.957 -0.785 10.074 1.00 51.44 C ATOM 858 SG CYS A 54 -8.923 -1.103 8.656 1.00 13.13 S ATOM 0 H CYS A 54 -11.032 -0.431 12.024 1.00 71.24 H new ATOM 0 HA CYS A 54 -11.332 -2.445 10.046 1.00 73.31 H new ATOM 0 HB2 CYS A 54 -10.727 -0.076 9.772 1.00 51.44 H new ATOM 0 HB3 CYS A 54 -9.345 -0.289 10.828 1.00 51.44 H new ATOM 863 N LEU A 55 -8.919 -3.089 12.205 1.00 53.00 N ATOM 864 CA LEU A 55 -8.204 -4.282 12.583 1.00 23.25 C ATOM 865 C LEU A 55 -9.108 -5.434 12.884 1.00 21.01 C ATOM 866 O LEU A 55 -8.839 -6.546 12.463 1.00 14.24 O ATOM 867 CB LEU A 55 -7.353 -3.939 13.778 1.00 70.02 C ATOM 868 CG LEU A 55 -6.112 -3.118 13.399 1.00 42.42 C ATOM 869 CD1 LEU A 55 -5.083 -3.997 12.684 1.00 42.22 C ATOM 870 CD2 LEU A 55 -6.245 -1.766 12.705 1.00 34.53 C ATOM 0 H LEU A 55 -8.776 -2.281 12.811 1.00 53.00 H new ATOM 0 HA LEU A 55 -7.590 -4.608 11.744 1.00 23.25 H new ATOM 0 HB2 LEU A 55 -7.950 -3.378 14.497 1.00 70.02 H new ATOM 0 HB3 LEU A 55 -7.040 -4.858 14.273 1.00 70.02 H new ATOM 0 HG LEU A 55 -5.786 -2.792 14.387 1.00 42.42 H new ATOM 0 HD11 LEU A 55 -4.211 -3.397 12.423 1.00 42.22 H new ATOM 0 HD12 LEU A 55 -4.780 -4.811 13.342 1.00 42.22 H new ATOM 0 HD13 LEU A 55 -5.524 -4.409 11.777 1.00 42.22 H new ATOM 0 HD21 LEU A 55 -5.254 -1.350 12.525 1.00 34.53 H new ATOM 0 HD22 LEU A 55 -6.763 -1.894 11.755 1.00 34.53 H new ATOM 0 HD23 LEU A 55 -6.814 -1.086 13.339 1.00 34.53 H new ATOM 882 N ALA A 56 -10.247 -5.171 13.528 1.00 2.24 N ATOM 883 CA ALA A 56 -11.238 -6.144 13.907 1.00 22.24 C ATOM 884 C ALA A 56 -11.787 -6.978 12.765 1.00 53.43 C ATOM 885 O ALA A 56 -12.067 -8.171 12.915 1.00 70.43 O ATOM 886 CB ALA A 56 -12.337 -5.362 14.631 1.00 5.25 C ATOM 0 H ALA A 56 -10.503 -4.224 13.807 1.00 2.24 H new ATOM 0 HA ALA A 56 -10.776 -6.895 14.548 1.00 22.24 H new ATOM 0 HB1 ALA A 56 -13.124 -6.047 14.946 1.00 5.25 H new ATOM 0 HB2 ALA A 56 -11.915 -4.867 15.506 1.00 5.25 H new ATOM 0 HB3 ALA A 56 -12.756 -4.614 13.957 1.00 5.25 H new ATOM 892 N LYS A 57 -11.933 -6.363 11.575 1.00 3.40 N ATOM 893 CA LYS A 57 -12.301 -7.094 10.381 1.00 21.51 C ATOM 894 C LYS A 57 -11.099 -7.803 9.731 1.00 71.24 C ATOM 895 O LYS A 57 -11.252 -8.805 9.036 1.00 62.15 O ATOM 896 CB LYS A 57 -13.009 -6.153 9.355 1.00 5.43 C ATOM 897 CG LYS A 57 -12.149 -5.183 8.537 1.00 2.32 C ATOM 898 CD LYS A 57 -12.972 -4.345 7.546 1.00 71.31 C ATOM 899 CE LYS A 57 -12.085 -3.434 6.704 1.00 43.22 C ATOM 900 NZ LYS A 57 -12.893 -2.733 5.689 1.00 24.42 N ATOM 0 H LYS A 57 -11.798 -5.362 11.431 1.00 3.40 H new ATOM 0 HA LYS A 57 -13.001 -7.872 10.687 1.00 21.51 H new ATOM 0 HB2 LYS A 57 -13.558 -6.781 8.654 1.00 5.43 H new ATOM 0 HB3 LYS A 57 -13.746 -5.563 9.900 1.00 5.43 H new ATOM 0 HG2 LYS A 57 -11.617 -4.516 9.215 1.00 2.32 H new ATOM 0 HG3 LYS A 57 -11.395 -5.748 7.989 1.00 2.32 H new ATOM 0 HD2 LYS A 57 -13.538 -5.008 6.891 1.00 71.31 H new ATOM 0 HD3 LYS A 57 -13.697 -3.742 8.093 1.00 71.31 H new ATOM 0 HE2 LYS A 57 -11.584 -2.709 7.345 1.00 43.22 H new ATOM 0 HE3 LYS A 57 -11.306 -4.021 6.217 1.00 43.22 H new ATOM 0 HZ1 LYS A 57 -12.264 -2.292 4.988 1.00 24.42 H new ATOM 0 HZ2 LYS A 57 -13.519 -3.414 5.213 1.00 24.42 H new ATOM 0 HZ3 LYS A 57 -13.467 -1.998 6.149 1.00 24.42 H new ATOM 914 N LYS A 58 -9.856 -7.315 9.969 1.00 21.44 N ATOM 915 CA LYS A 58 -8.618 -7.736 9.333 1.00 23.54 C ATOM 916 C LYS A 58 -7.752 -8.629 10.224 1.00 2.52 C ATOM 917 O LYS A 58 -6.525 -8.606 10.168 1.00 22.21 O ATOM 918 CB LYS A 58 -7.778 -6.509 8.893 1.00 55.01 C ATOM 919 CG LYS A 58 -8.378 -5.661 7.762 1.00 74.33 C ATOM 920 CD LYS A 58 -7.406 -4.553 7.316 1.00 42.11 C ATOM 921 CE LYS A 58 -7.891 -3.710 6.136 1.00 3.01 C ATOM 922 NZ LYS A 58 -8.005 -4.535 4.917 1.00 11.02 N ATOM 0 H LYS A 58 -9.700 -6.574 10.653 1.00 21.44 H new ATOM 0 HA LYS A 58 -8.920 -8.322 8.465 1.00 23.54 H new ATOM 0 HB2 LYS A 58 -7.624 -5.867 9.761 1.00 55.01 H new ATOM 0 HB3 LYS A 58 -6.795 -6.859 8.577 1.00 55.01 H new ATOM 0 HG2 LYS A 58 -8.617 -6.301 6.913 1.00 74.33 H new ATOM 0 HG3 LYS A 58 -9.314 -5.213 8.097 1.00 74.33 H new ATOM 0 HD2 LYS A 58 -7.217 -3.893 8.162 1.00 42.11 H new ATOM 0 HD3 LYS A 58 -6.453 -5.011 7.050 1.00 42.11 H new ATOM 0 HE2 LYS A 58 -8.858 -3.267 6.373 1.00 3.01 H new ATOM 0 HE3 LYS A 58 -7.197 -2.888 5.961 1.00 3.01 H new ATOM 0 HZ1 LYS A 58 -8.286 -3.934 4.116 1.00 11.02 H new ATOM 0 HZ2 LYS A 58 -7.087 -4.979 4.711 1.00 11.02 H new ATOM 0 HZ3 LYS A 58 -8.722 -5.274 5.064 1.00 11.02 H new ATOM 936 N LEU A 59 -8.365 -9.486 11.064 1.00 53.45 N ATOM 937 CA LEU A 59 -7.652 -10.364 12.003 1.00 64.34 C ATOM 938 C LEU A 59 -7.184 -11.611 11.311 1.00 24.15 C ATOM 939 O LEU A 59 -6.305 -12.335 11.752 1.00 11.12 O ATOM 940 CB LEU A 59 -8.488 -10.853 13.199 1.00 73.41 C ATOM 941 CG LEU A 59 -9.014 -9.716 14.080 1.00 42.31 C ATOM 942 CD1 LEU A 59 -9.848 -10.283 15.240 1.00 52.24 C ATOM 943 CD2 LEU A 59 -8.042 -8.610 14.469 1.00 1.43 C ATOM 0 H LEU A 59 -9.379 -9.587 11.107 1.00 53.45 H new ATOM 0 HA LEU A 59 -6.838 -9.738 12.369 1.00 64.34 H new ATOM 0 HB2 LEU A 59 -9.332 -11.436 12.829 1.00 73.41 H new ATOM 0 HB3 LEU A 59 -7.880 -11.523 13.808 1.00 73.41 H new ATOM 0 HG LEU A 59 -9.671 -9.140 13.429 1.00 42.31 H new ATOM 0 HD11 LEU A 59 -10.216 -9.464 15.858 1.00 52.24 H new ATOM 0 HD12 LEU A 59 -10.693 -10.844 14.840 1.00 52.24 H new ATOM 0 HD13 LEU A 59 -9.228 -10.944 15.845 1.00 52.24 H new ATOM 0 HD21 LEU A 59 -8.555 -7.877 15.092 1.00 1.43 H new ATOM 0 HD22 LEU A 59 -7.208 -9.038 15.025 1.00 1.43 H new ATOM 0 HD23 LEU A 59 -7.667 -8.122 13.569 1.00 1.43 H new ATOM 955 N GLU A 60 -7.793 -11.846 10.153 1.00 44.30 N ATOM 956 CA GLU A 60 -7.530 -12.936 9.220 1.00 51.34 C ATOM 957 C GLU A 60 -6.118 -12.857 8.684 1.00 43.13 C ATOM 958 O GLU A 60 -5.488 -13.843 8.314 1.00 1.24 O ATOM 959 CB GLU A 60 -8.500 -12.894 8.016 1.00 73.13 C ATOM 960 CG GLU A 60 -9.955 -13.088 8.483 1.00 32.33 C ATOM 961 CD GLU A 60 -10.920 -13.407 7.342 1.00 64.42 C ATOM 962 OE1 GLU A 60 -11.872 -12.611 7.138 1.00 22.32 O ATOM 963 OE2 GLU A 60 -10.718 -14.457 6.679 1.00 12.42 O ATOM 0 H GLU A 60 -8.538 -11.235 9.818 1.00 44.30 H new ATOM 0 HA GLU A 60 -7.672 -13.864 9.774 1.00 51.34 H new ATOM 0 HB2 GLU A 60 -8.403 -11.940 7.498 1.00 73.13 H new ATOM 0 HB3 GLU A 60 -8.235 -13.673 7.302 1.00 73.13 H new ATOM 0 HG2 GLU A 60 -9.990 -13.895 9.215 1.00 32.33 H new ATOM 0 HG3 GLU A 60 -10.290 -12.183 8.990 1.00 32.33 H new ATOM 970 N LEU A 61 -5.644 -11.605 8.630 1.00 63.54 N ATOM 971 CA LEU A 61 -4.341 -11.156 8.188 1.00 71.13 C ATOM 972 C LEU A 61 -3.252 -11.571 9.172 1.00 73.45 C ATOM 973 O LEU A 61 -2.087 -11.726 8.810 1.00 1.15 O ATOM 974 CB LEU A 61 -4.258 -9.623 8.024 1.00 72.12 C ATOM 975 CG LEU A 61 -5.231 -8.928 7.041 1.00 2.23 C ATOM 976 CD1 LEU A 61 -4.508 -7.903 6.160 1.00 44.35 C ATOM 977 CD2 LEU A 61 -6.367 -9.722 6.362 1.00 61.25 C ATOM 0 H LEU A 61 -6.225 -10.819 8.924 1.00 63.54 H new ATOM 0 HA LEU A 61 -4.189 -11.628 7.217 1.00 71.13 H new ATOM 0 HB2 LEU A 61 -4.406 -9.177 9.007 1.00 72.12 H new ATOM 0 HB3 LEU A 61 -3.242 -9.378 7.713 1.00 72.12 H new ATOM 0 HG LEU A 61 -5.889 -8.395 7.727 1.00 2.23 H new ATOM 0 HD11 LEU A 61 -5.223 -7.436 5.483 1.00 44.35 H new ATOM 0 HD12 LEU A 61 -4.052 -7.139 6.790 1.00 44.35 H new ATOM 0 HD13 LEU A 61 -3.733 -8.404 5.580 1.00 44.35 H new ATOM 0 HD21 LEU A 61 -6.937 -9.058 5.712 1.00 61.25 H new ATOM 0 HD22 LEU A 61 -5.941 -10.532 5.770 1.00 61.25 H new ATOM 0 HD23 LEU A 61 -7.027 -10.137 7.124 1.00 61.25 H new ATOM 989 N LEU A 62 -3.631 -11.709 10.462 1.00 71.31 N ATOM 990 CA LEU A 62 -2.776 -12.013 11.593 1.00 65.12 C ATOM 991 C LEU A 62 -2.343 -13.467 11.554 1.00 74.13 C ATOM 992 O LEU A 62 -2.914 -14.314 10.870 1.00 22.42 O ATOM 993 CB LEU A 62 -3.491 -11.757 12.949 1.00 22.30 C ATOM 994 CG LEU A 62 -3.978 -10.302 13.108 1.00 51.53 C ATOM 995 CD1 LEU A 62 -4.880 -10.092 14.338 1.00 73.05 C ATOM 996 CD2 LEU A 62 -2.827 -9.279 13.115 1.00 60.32 C ATOM 0 H LEU A 62 -4.606 -11.601 10.741 1.00 71.31 H new ATOM 0 HA LEU A 62 -1.912 -11.353 11.517 1.00 65.12 H new ATOM 0 HB2 LEU A 62 -4.343 -12.431 13.037 1.00 22.30 H new ATOM 0 HB3 LEU A 62 -2.809 -11.997 13.764 1.00 22.30 H new ATOM 0 HG LEU A 62 -4.583 -10.121 12.220 1.00 51.53 H new ATOM 0 HD11 LEU A 62 -5.187 -9.047 14.390 1.00 73.05 H new ATOM 0 HD12 LEU A 62 -5.763 -10.726 14.254 1.00 73.05 H new ATOM 0 HD13 LEU A 62 -4.330 -10.354 15.242 1.00 73.05 H new ATOM 0 HD21 LEU A 62 -3.234 -8.274 13.230 1.00 60.32 H new ATOM 0 HD22 LEU A 62 -2.154 -9.495 13.944 1.00 60.32 H new ATOM 0 HD23 LEU A 62 -2.278 -9.343 12.176 1.00 60.32 H new ATOM 1008 N ASP A 63 -1.262 -13.794 12.281 1.00 34.24 N ATOM 1009 CA ASP A 63 -0.680 -15.113 12.237 1.00 64.21 C ATOM 1010 C ASP A 63 -1.496 -16.162 12.993 1.00 14.15 C ATOM 1011 O ASP A 63 -2.031 -15.908 14.067 1.00 23.41 O ATOM 1012 CB ASP A 63 0.782 -15.054 12.761 1.00 2.21 C ATOM 1013 CG ASP A 63 0.880 -14.547 14.200 1.00 12.42 C ATOM 1014 OD1 ASP A 63 0.625 -13.333 14.413 1.00 61.25 O ATOM 1015 OD2 ASP A 63 1.206 -15.376 15.088 1.00 51.12 O ATOM 0 H ASP A 63 -0.782 -13.146 12.906 1.00 34.24 H new ATOM 0 HA ASP A 63 -0.684 -15.435 11.196 1.00 64.21 H new ATOM 0 HB2 ASP A 63 1.224 -16.048 12.701 1.00 2.21 H new ATOM 0 HB3 ASP A 63 1.369 -14.404 12.112 1.00 2.21 H new ATOM 1020 N GLN A 64 -1.562 -17.403 12.464 1.00 60.03 N ATOM 1021 CA GLN A 64 -2.270 -18.508 13.085 1.00 21.45 C ATOM 1022 C GLN A 64 -1.696 -18.932 14.434 1.00 33.41 C ATOM 1023 O GLN A 64 -2.418 -19.385 15.317 1.00 62.51 O ATOM 1024 CB GLN A 64 -2.380 -19.702 12.102 1.00 3.24 C ATOM 1025 CG GLN A 64 -3.183 -20.906 12.650 1.00 45.01 C ATOM 1026 CD GLN A 64 -4.616 -20.524 13.055 1.00 55.04 C ATOM 1027 OE1 GLN A 64 -5.474 -20.189 12.232 1.00 43.13 O ATOM 1028 NE2 GLN A 64 -4.878 -20.553 14.389 1.00 34.10 N ATOM 0 H GLN A 64 -1.114 -17.653 11.582 1.00 60.03 H new ATOM 0 HA GLN A 64 -3.273 -18.145 13.310 1.00 21.45 H new ATOM 0 HB2 GLN A 64 -2.849 -19.357 11.180 1.00 3.24 H new ATOM 0 HB3 GLN A 64 -1.376 -20.038 11.843 1.00 3.24 H new ATOM 0 HG2 GLN A 64 -3.220 -21.689 11.892 1.00 45.01 H new ATOM 0 HG3 GLN A 64 -2.664 -21.322 13.513 1.00 45.01 H new ATOM 0 HE21 GLN A 64 -4.150 -20.834 15.046 1.00 34.10 H new ATOM 0 HE22 GLN A 64 -5.803 -20.294 14.733 1.00 34.10 H new ATOM 1037 N ASP A 65 -0.377 -18.750 14.654 1.00 33.51 N ATOM 1038 CA ASP A 65 0.316 -19.092 15.889 1.00 2.00 C ATOM 1039 C ASP A 65 -0.258 -18.397 17.125 1.00 40.04 C ATOM 1040 O ASP A 65 -0.327 -19.002 18.192 1.00 41.45 O ATOM 1041 CB ASP A 65 1.821 -18.740 15.781 1.00 30.43 C ATOM 1042 CG ASP A 65 2.505 -19.669 14.791 1.00 44.14 C ATOM 1043 OD1 ASP A 65 2.654 -20.875 15.113 1.00 62.13 O ATOM 1044 OD2 ASP A 65 2.859 -19.175 13.688 1.00 73.31 O ATOM 0 H ASP A 65 0.242 -18.349 13.950 1.00 33.51 H new ATOM 0 HA ASP A 65 0.175 -20.165 16.017 1.00 2.00 H new ATOM 0 HB2 ASP A 65 1.938 -17.705 15.461 1.00 30.43 H new ATOM 0 HB3 ASP A 65 2.294 -18.827 16.759 1.00 30.43 H new ATOM 1049 N MET A 66 -0.703 -17.121 17.023 1.00 63.34 N ATOM 1050 CA MET A 66 -1.336 -16.439 18.144 1.00 40.15 C ATOM 1051 C MET A 66 -2.791 -16.843 18.327 1.00 60.11 C ATOM 1052 O MET A 66 -3.391 -16.528 19.353 1.00 33.42 O ATOM 1053 CB MET A 66 -1.244 -14.890 18.038 1.00 53.21 C ATOM 1054 CG MET A 66 -2.107 -14.190 16.970 1.00 0.11 C ATOM 1055 SD MET A 66 -1.858 -12.389 16.852 1.00 53.01 S ATOM 1056 CE MET A 66 -2.641 -11.900 18.417 1.00 11.14 C ATOM 0 H MET A 66 -0.629 -16.559 16.175 1.00 63.34 H new ATOM 0 HA MET A 66 -0.771 -16.759 19.019 1.00 40.15 H new ATOM 0 HB2 MET A 66 -1.508 -14.472 19.009 1.00 53.21 H new ATOM 0 HB3 MET A 66 -0.202 -14.628 17.851 1.00 53.21 H new ATOM 0 HG2 MET A 66 -1.893 -14.637 15.999 1.00 0.11 H new ATOM 0 HG3 MET A 66 -3.157 -14.385 17.186 1.00 0.11 H new ATOM 0 HE1 MET A 66 -2.845 -10.829 18.403 1.00 11.14 H new ATOM 0 HE2 MET A 66 -3.576 -12.446 18.542 1.00 11.14 H new ATOM 0 HE3 MET A 66 -1.972 -12.131 19.246 1.00 11.14 H new ATOM 1066 N ASN A 67 -3.367 -17.573 17.336 1.00 21.31 N ATOM 1067 CA ASN A 67 -4.729 -18.077 17.272 1.00 4.51 C ATOM 1068 C ASN A 67 -5.839 -17.044 17.256 1.00 61.00 C ATOM 1069 O ASN A 67 -6.966 -17.350 17.643 1.00 43.43 O ATOM 1070 CB ASN A 67 -4.999 -19.130 18.396 1.00 23.32 C ATOM 1071 CG ASN A 67 -4.233 -20.425 18.129 1.00 73.21 C ATOM 1072 OD1 ASN A 67 -4.790 -21.346 17.523 1.00 15.35 O ATOM 1073 ND2 ASN A 67 -2.951 -20.518 18.555 1.00 12.31 N ATOM 0 H ASN A 67 -2.835 -17.834 16.506 1.00 21.31 H new ATOM 0 HA ASN A 67 -4.771 -18.541 16.287 1.00 4.51 H new ATOM 0 HB2 ASN A 67 -4.703 -18.720 19.362 1.00 23.32 H new ATOM 0 HB3 ASN A 67 -6.067 -19.340 18.453 1.00 23.32 H new ATOM 0 HD21 ASN A 67 -2.415 -21.368 18.378 1.00 12.31 H new ATOM 0 HD22 ASN A 67 -2.521 -19.738 19.053 1.00 12.31 H new ATOM 1080 N LEU A 68 -5.602 -15.798 16.770 1.00 72.12 N ATOM 1081 CA LEU A 68 -6.695 -14.841 16.710 1.00 72.34 C ATOM 1082 C LEU A 68 -7.574 -15.088 15.501 1.00 61.20 C ATOM 1083 O LEU A 68 -7.124 -14.995 14.362 1.00 42.30 O ATOM 1084 CB LEU A 68 -6.208 -13.372 16.646 1.00 70.04 C ATOM 1085 CG LEU A 68 -7.176 -12.317 17.240 1.00 44.02 C ATOM 1086 CD1 LEU A 68 -6.856 -10.883 16.864 1.00 72.13 C ATOM 1087 CD2 LEU A 68 -8.651 -12.675 17.489 1.00 3.34 C ATOM 0 H LEU A 68 -4.701 -15.460 16.432 1.00 72.12 H new ATOM 0 HA LEU A 68 -7.257 -14.988 17.632 1.00 72.34 H new ATOM 0 HB2 LEU A 68 -5.256 -13.301 17.171 1.00 70.04 H new ATOM 0 HB3 LEU A 68 -6.017 -13.117 15.604 1.00 70.04 H new ATOM 0 HG LEU A 68 -6.899 -12.389 18.292 1.00 44.02 H new ATOM 0 HD11 LEU A 68 -7.584 -10.215 17.324 1.00 72.13 H new ATOM 0 HD12 LEU A 68 -5.857 -10.629 17.217 1.00 72.13 H new ATOM 0 HD13 LEU A 68 -6.896 -10.773 15.780 1.00 72.13 H new ATOM 0 HD21 LEU A 68 -9.169 -11.812 17.907 1.00 3.34 H new ATOM 0 HD22 LEU A 68 -9.120 -12.959 16.547 1.00 3.34 H new ATOM 0 HD23 LEU A 68 -8.710 -13.508 18.190 1.00 3.34 H new ATOM 1099 N HIS A 69 -8.876 -15.358 15.727 1.00 60.23 N ATOM 1100 CA HIS A 69 -9.846 -15.332 14.665 1.00 32.31 C ATOM 1101 C HIS A 69 -11.025 -14.569 15.204 1.00 24.00 C ATOM 1102 O HIS A 69 -11.322 -14.597 16.400 1.00 54.13 O ATOM 1103 CB HIS A 69 -10.378 -16.730 14.222 1.00 24.02 C ATOM 1104 CG HIS A 69 -9.425 -17.737 13.618 1.00 11.22 C ATOM 1105 ND1 HIS A 69 -9.905 -18.977 13.294 1.00 41.14 N ATOM 1106 CD2 HIS A 69 -8.102 -17.745 13.324 1.00 60.24 C ATOM 1107 CE1 HIS A 69 -8.917 -19.711 12.818 1.00 55.20 C ATOM 1108 NE2 HIS A 69 -7.811 -18.991 12.825 1.00 35.20 N ATOM 0 H HIS A 69 -9.259 -15.594 16.643 1.00 60.23 H new ATOM 0 HA HIS A 69 -9.362 -14.895 13.792 1.00 32.31 H new ATOM 0 HB2 HIS A 69 -10.834 -17.196 15.095 1.00 24.02 H new ATOM 0 HB3 HIS A 69 -11.175 -16.561 13.498 1.00 24.02 H new ATOM 0 HD2 HIS A 69 -7.409 -16.928 13.457 1.00 60.24 H new ATOM 0 HE1 HIS A 69 -9.000 -20.733 12.479 1.00 55.20 H new ATOM 0 HE2 HIS A 69 -6.893 -19.307 12.512 1.00 35.20 H new ATOM 1117 N HIS A 70 -11.725 -13.846 14.311 1.00 55.12 N ATOM 1118 CA HIS A 70 -12.898 -13.071 14.637 1.00 3.11 C ATOM 1119 C HIS A 70 -14.047 -13.977 15.062 1.00 74.42 C ATOM 1120 O HIS A 70 -14.377 -14.954 14.389 1.00 31.23 O ATOM 1121 CB HIS A 70 -13.278 -12.217 13.412 1.00 73.01 C ATOM 1122 CG HIS A 70 -14.383 -11.212 13.566 1.00 20.55 C ATOM 1123 ND1 HIS A 70 -14.194 -9.876 13.330 1.00 32.13 N ATOM 1124 CD2 HIS A 70 -15.704 -11.388 13.796 1.00 2.43 C ATOM 1125 CE1 HIS A 70 -15.364 -9.272 13.397 1.00 42.23 C ATOM 1126 NE2 HIS A 70 -16.293 -10.158 13.695 1.00 3.22 N ATOM 0 H HIS A 70 -11.471 -13.795 13.325 1.00 55.12 H new ATOM 0 HA HIS A 70 -12.684 -12.415 15.481 1.00 3.11 H new ATOM 0 HB2 HIS A 70 -12.385 -11.683 13.088 1.00 73.01 H new ATOM 0 HB3 HIS A 70 -13.555 -12.896 12.605 1.00 73.01 H new ATOM 0 HD1 HIS A 70 -13.300 -9.425 13.135 1.00 32.13 H new ATOM 0 HD2 HIS A 70 -16.199 -12.322 14.017 1.00 2.43 H new ATOM 0 HE1 HIS A 70 -15.534 -8.218 13.234 1.00 42.23 H new ATOM 1135 N GLY A 71 -14.660 -13.667 16.222 1.00 61.34 N ATOM 1136 CA GLY A 71 -15.732 -14.445 16.834 1.00 2.35 C ATOM 1137 C GLY A 71 -15.290 -15.511 17.813 1.00 13.42 C ATOM 1138 O GLY A 71 -16.119 -16.094 18.503 1.00 61.22 O ATOM 0 H GLY A 71 -14.408 -12.842 16.767 1.00 61.34 H new ATOM 0 HA2 GLY A 71 -16.405 -13.760 17.350 1.00 2.35 H new ATOM 0 HA3 GLY A 71 -16.309 -14.922 16.041 1.00 2.35 H new ATOM 1142 N LYS A 72 -13.974 -15.802 17.914 1.00 50.33 N ATOM 1143 CA LYS A 72 -13.431 -16.944 18.638 1.00 42.54 C ATOM 1144 C LYS A 72 -12.725 -16.472 19.895 1.00 33.53 C ATOM 1145 O LYS A 72 -11.811 -17.126 20.403 1.00 1.30 O ATOM 1146 CB LYS A 72 -12.441 -17.791 17.777 1.00 21.34 C ATOM 1147 CG LYS A 72 -13.060 -18.668 16.662 1.00 75.22 C ATOM 1148 CD LYS A 72 -13.776 -17.904 15.540 1.00 0.54 C ATOM 1149 CE LYS A 72 -14.007 -18.712 14.266 1.00 65.13 C ATOM 1150 NZ LYS A 72 -14.800 -17.886 13.337 1.00 20.35 N ATOM 0 H LYS A 72 -13.252 -15.227 17.479 1.00 50.33 H new ATOM 0 HA LYS A 72 -14.275 -17.585 18.893 1.00 42.54 H new ATOM 0 HB2 LYS A 72 -11.724 -17.111 17.316 1.00 21.34 H new ATOM 0 HB3 LYS A 72 -11.878 -18.441 18.447 1.00 21.34 H new ATOM 0 HG2 LYS A 72 -12.269 -19.273 16.218 1.00 75.22 H new ATOM 0 HG3 LYS A 72 -13.770 -19.357 17.119 1.00 75.22 H new ATOM 0 HD2 LYS A 72 -14.739 -17.556 15.913 1.00 0.54 H new ATOM 0 HD3 LYS A 72 -13.191 -17.018 15.291 1.00 0.54 H new ATOM 0 HE2 LYS A 72 -13.055 -18.988 13.812 1.00 65.13 H new ATOM 0 HE3 LYS A 72 -14.532 -19.640 14.494 1.00 65.13 H new ATOM 0 HZ1 LYS A 72 -14.443 -18.013 12.368 1.00 20.35 H new ATOM 0 HZ2 LYS A 72 -15.798 -18.177 13.379 1.00 20.35 H new ATOM 0 HZ3 LYS A 72 -14.719 -16.885 13.607 1.00 20.35 H new ATOM 1164 N ALA A 73 -13.159 -15.319 20.458 1.00 34.43 N ATOM 1165 CA ALA A 73 -12.511 -14.647 21.565 1.00 35.24 C ATOM 1166 C ALA A 73 -12.363 -15.478 22.795 1.00 43.32 C ATOM 1167 O ALA A 73 -11.290 -15.468 23.377 1.00 0.42 O ATOM 1168 CB ALA A 73 -13.273 -13.398 21.993 1.00 75.21 C ATOM 0 H ALA A 73 -13.994 -14.833 20.132 1.00 34.43 H new ATOM 0 HA ALA A 73 -11.523 -14.412 21.168 1.00 35.24 H new ATOM 0 HB1 ALA A 73 -12.754 -12.923 22.826 1.00 75.21 H new ATOM 0 HB2 ALA A 73 -13.330 -12.702 21.156 1.00 75.21 H new ATOM 0 HB3 ALA A 73 -14.280 -13.675 22.304 1.00 75.21 H new ATOM 1174 N MET A 74 -13.386 -16.252 23.202 1.00 52.22 N ATOM 1175 CA MET A 74 -13.284 -17.054 24.407 1.00 24.22 C ATOM 1176 C MET A 74 -12.153 -18.073 24.347 1.00 13.31 C ATOM 1177 O MET A 74 -11.404 -18.247 25.306 1.00 32.23 O ATOM 1178 CB MET A 74 -14.609 -17.803 24.658 1.00 11.44 C ATOM 1179 CG MET A 74 -15.760 -16.873 25.075 1.00 22.10 C ATOM 1180 SD MET A 74 -15.590 -16.164 26.748 1.00 74.53 S ATOM 1181 CE MET A 74 -15.665 -17.678 27.750 1.00 45.25 C ATOM 0 H MET A 74 -14.277 -16.330 22.712 1.00 52.22 H new ATOM 0 HA MET A 74 -13.069 -16.361 25.221 1.00 24.22 H new ATOM 0 HB2 MET A 74 -14.893 -18.339 23.752 1.00 11.44 H new ATOM 0 HB3 MET A 74 -14.455 -18.551 25.436 1.00 11.44 H new ATOM 0 HG2 MET A 74 -15.832 -16.058 24.354 1.00 22.10 H new ATOM 0 HG3 MET A 74 -16.696 -17.428 25.023 1.00 22.10 H new ATOM 0 HE1 MET A 74 -16.328 -17.519 28.600 1.00 45.25 H new ATOM 0 HE2 MET A 74 -16.046 -18.498 27.142 1.00 45.25 H new ATOM 0 HE3 MET A 74 -14.666 -17.926 28.110 1.00 45.25 H new ATOM 1191 N GLU A 75 -11.992 -18.742 23.185 1.00 34.01 N ATOM 1192 CA GLU A 75 -10.939 -19.722 22.967 1.00 64.34 C ATOM 1193 C GLU A 75 -9.565 -19.080 22.858 1.00 63.41 C ATOM 1194 O GLU A 75 -8.601 -19.519 23.482 1.00 74.21 O ATOM 1195 CB GLU A 75 -11.211 -20.551 21.683 1.00 62.34 C ATOM 1196 CG GLU A 75 -12.455 -21.474 21.769 1.00 52.42 C ATOM 1197 CD GLU A 75 -12.298 -22.602 22.790 1.00 52.21 C ATOM 1198 OE1 GLU A 75 -13.081 -22.611 23.776 1.00 21.14 O ATOM 1199 OE2 GLU A 75 -11.410 -23.468 22.579 1.00 74.34 O ATOM 0 H GLU A 75 -12.599 -18.607 22.376 1.00 34.01 H new ATOM 0 HA GLU A 75 -10.944 -20.376 23.839 1.00 64.34 H new ATOM 0 HB2 GLU A 75 -11.338 -19.867 20.844 1.00 62.34 H new ATOM 0 HB3 GLU A 75 -10.334 -21.162 21.467 1.00 62.34 H new ATOM 0 HG2 GLU A 75 -13.327 -20.875 22.031 1.00 52.42 H new ATOM 0 HG3 GLU A 75 -12.648 -21.906 20.787 1.00 52.42 H new ATOM 1206 N PHE A 76 -9.482 -17.976 22.087 1.00 63.44 N ATOM 1207 CA PHE A 76 -8.309 -17.147 21.894 1.00 65.42 C ATOM 1208 C PHE A 76 -7.804 -16.528 23.180 1.00 61.35 C ATOM 1209 O PHE A 76 -6.624 -16.627 23.508 1.00 64.41 O ATOM 1210 CB PHE A 76 -8.673 -16.059 20.841 1.00 64.43 C ATOM 1211 CG PHE A 76 -7.642 -14.975 20.699 1.00 12.50 C ATOM 1212 CD1 PHE A 76 -6.392 -15.203 20.113 1.00 74.15 C ATOM 1213 CD2 PHE A 76 -7.918 -13.711 21.243 1.00 72.44 C ATOM 1214 CE1 PHE A 76 -5.465 -14.160 19.992 1.00 74.04 C ATOM 1215 CE2 PHE A 76 -6.955 -12.707 21.213 1.00 44.14 C ATOM 1216 CZ PHE A 76 -5.741 -12.912 20.554 1.00 73.20 C ATOM 0 H PHE A 76 -10.285 -17.633 21.560 1.00 63.44 H new ATOM 0 HA PHE A 76 -7.486 -17.768 21.539 1.00 65.42 H new ATOM 0 HB2 PHE A 76 -8.816 -16.539 19.873 1.00 64.43 H new ATOM 0 HB3 PHE A 76 -9.626 -15.606 21.116 1.00 64.43 H new ATOM 0 HD1 PHE A 76 -6.140 -16.189 19.752 1.00 74.15 H new ATOM 0 HD2 PHE A 76 -8.883 -13.517 21.687 1.00 72.44 H new ATOM 0 HE1 PHE A 76 -4.537 -14.321 19.464 1.00 74.04 H new ATOM 0 HE2 PHE A 76 -7.148 -11.764 21.702 1.00 44.14 H new ATOM 0 HZ PHE A 76 -5.021 -12.111 20.480 1.00 73.20 H new ATOM 1226 N ALA A 77 -8.703 -15.910 23.968 1.00 50.23 N ATOM 1227 CA ALA A 77 -8.365 -15.221 25.184 1.00 12.34 C ATOM 1228 C ALA A 77 -7.725 -16.121 26.223 1.00 73.10 C ATOM 1229 O ALA A 77 -6.732 -15.752 26.850 1.00 24.45 O ATOM 1230 CB ALA A 77 -9.650 -14.601 25.718 1.00 4.34 C ATOM 0 H ALA A 77 -9.700 -15.887 23.755 1.00 50.23 H new ATOM 0 HA ALA A 77 -7.615 -14.460 24.967 1.00 12.34 H new ATOM 0 HB1 ALA A 77 -9.439 -14.066 26.644 1.00 4.34 H new ATOM 0 HB2 ALA A 77 -10.052 -13.906 24.981 1.00 4.34 H new ATOM 0 HB3 ALA A 77 -10.380 -15.387 25.912 1.00 4.34 H new ATOM 1236 N MET A 78 -8.259 -17.357 26.384 1.00 62.22 N ATOM 1237 CA MET A 78 -7.678 -18.363 27.251 1.00 75.31 C ATOM 1238 C MET A 78 -6.288 -18.818 26.823 1.00 53.00 C ATOM 1239 O MET A 78 -5.416 -19.006 27.670 1.00 20.32 O ATOM 1240 CB MET A 78 -8.631 -19.570 27.450 1.00 14.35 C ATOM 1241 CG MET A 78 -9.861 -19.207 28.317 1.00 22.03 C ATOM 1242 SD MET A 78 -10.933 -20.623 28.734 1.00 14.12 S ATOM 1243 CE MET A 78 -11.639 -20.968 27.097 1.00 52.34 C ATOM 0 H MET A 78 -9.106 -17.666 25.907 1.00 62.22 H new ATOM 0 HA MET A 78 -7.545 -17.871 28.215 1.00 75.31 H new ATOM 0 HB2 MET A 78 -8.967 -19.929 26.477 1.00 14.35 H new ATOM 0 HB3 MET A 78 -8.085 -20.388 27.921 1.00 14.35 H new ATOM 0 HG2 MET A 78 -9.515 -18.744 29.241 1.00 22.03 H new ATOM 0 HG3 MET A 78 -10.455 -18.460 27.789 1.00 22.03 H new ATOM 0 HE1 MET A 78 -12.283 -21.845 27.156 1.00 52.34 H new ATOM 0 HE2 MET A 78 -12.224 -20.110 26.765 1.00 52.34 H new ATOM 0 HE3 MET A 78 -10.834 -21.156 26.386 1.00 52.34 H new ATOM 1253 N LYS A 79 -6.004 -18.947 25.501 1.00 22.23 N ATOM 1254 CA LYS A 79 -4.651 -19.234 25.022 1.00 43.14 C ATOM 1255 C LYS A 79 -3.644 -18.126 25.353 1.00 33.54 C ATOM 1256 O LYS A 79 -2.447 -18.378 25.470 1.00 24.14 O ATOM 1257 CB LYS A 79 -4.598 -19.506 23.492 1.00 42.04 C ATOM 1258 CG LYS A 79 -5.329 -20.798 23.085 1.00 15.45 C ATOM 1259 CD LYS A 79 -5.084 -21.230 21.629 1.00 33.33 C ATOM 1260 CE LYS A 79 -5.855 -22.501 21.262 1.00 71.33 C ATOM 1261 NZ LYS A 79 -5.386 -23.046 19.971 1.00 10.15 N ATOM 0 H LYS A 79 -6.699 -18.855 24.760 1.00 22.23 H new ATOM 0 HA LYS A 79 -4.367 -20.139 25.559 1.00 43.14 H new ATOM 0 HB2 LYS A 79 -5.041 -18.662 22.963 1.00 42.04 H new ATOM 0 HB3 LYS A 79 -3.557 -19.569 23.176 1.00 42.04 H new ATOM 0 HG2 LYS A 79 -5.016 -21.604 23.749 1.00 15.45 H new ATOM 0 HG3 LYS A 79 -6.400 -20.659 23.236 1.00 15.45 H new ATOM 0 HD2 LYS A 79 -5.379 -20.423 20.958 1.00 33.33 H new ATOM 0 HD3 LYS A 79 -4.018 -21.398 21.477 1.00 33.33 H new ATOM 0 HE2 LYS A 79 -5.727 -23.248 22.045 1.00 71.33 H new ATOM 0 HE3 LYS A 79 -6.921 -22.281 21.203 1.00 71.33 H new ATOM 0 HZ1 LYS A 79 -5.887 -23.934 19.767 1.00 10.15 H new ATOM 0 HZ2 LYS A 79 -5.577 -22.359 19.214 1.00 10.15 H new ATOM 0 HZ3 LYS A 79 -4.363 -23.229 20.022 1.00 10.15 H new ATOM 1275 N HIS A 80 -4.121 -16.877 25.548 1.00 62.31 N ATOM 1276 CA HIS A 80 -3.331 -15.722 25.937 1.00 63.25 C ATOM 1277 C HIS A 80 -3.290 -15.461 27.427 1.00 65.24 C ATOM 1278 O HIS A 80 -2.826 -14.411 27.867 1.00 43.04 O ATOM 1279 CB HIS A 80 -3.810 -14.475 25.174 1.00 44.44 C ATOM 1280 CG HIS A 80 -3.383 -14.566 23.733 1.00 73.34 C ATOM 1281 ND1 HIS A 80 -2.088 -14.311 23.366 1.00 43.43 N ATOM 1282 CD2 HIS A 80 -3.980 -15.148 22.672 1.00 35.43 C ATOM 1283 CE1 HIS A 80 -1.907 -14.727 22.125 1.00 62.21 C ATOM 1284 NE2 HIS A 80 -3.036 -15.247 21.686 1.00 30.24 N ATOM 0 H HIS A 80 -5.109 -16.653 25.430 1.00 62.31 H new ATOM 0 HA HIS A 80 -2.302 -15.955 25.663 1.00 63.25 H new ATOM 0 HB2 HIS A 80 -4.895 -14.393 25.237 1.00 44.44 H new ATOM 0 HB3 HIS A 80 -3.395 -13.576 25.630 1.00 44.44 H new ATOM 0 HD2 HIS A 80 -5.008 -15.474 22.612 1.00 35.43 H new ATOM 0 HE1 HIS A 80 -0.987 -14.653 21.564 1.00 62.21 H new ATOM 0 HE2 HIS A 80 -3.182 -15.656 20.763 1.00 30.24 H new ATOM 1293 N GLY A 81 -3.722 -16.434 28.259 1.00 2.31 N ATOM 1294 CA GLY A 81 -3.471 -16.390 29.692 1.00 14.45 C ATOM 1295 C GLY A 81 -4.585 -15.794 30.493 1.00 74.21 C ATOM 1296 O GLY A 81 -4.500 -15.727 31.716 1.00 1.22 O ATOM 0 H GLY A 81 -4.245 -17.254 27.950 1.00 2.31 H new ATOM 0 HA2 GLY A 81 -3.285 -17.403 30.048 1.00 14.45 H new ATOM 0 HA3 GLY A 81 -2.562 -15.817 29.873 1.00 14.45 H new ATOM 1300 N ALA A 82 -5.691 -15.378 29.841 1.00 73.04 N ATOM 1301 CA ALA A 82 -6.927 -15.112 30.556 1.00 52.10 C ATOM 1302 C ALA A 82 -7.525 -16.403 31.128 1.00 44.54 C ATOM 1303 O ALA A 82 -7.493 -17.458 30.500 1.00 14.34 O ATOM 1304 CB ALA A 82 -7.965 -14.444 29.631 1.00 75.21 C ATOM 0 H ALA A 82 -5.740 -15.225 28.834 1.00 73.04 H new ATOM 0 HA ALA A 82 -6.685 -14.436 31.376 1.00 52.10 H new ATOM 0 HB1 ALA A 82 -8.882 -14.255 30.190 1.00 75.21 H new ATOM 0 HB2 ALA A 82 -7.566 -13.501 29.258 1.00 75.21 H new ATOM 0 HB3 ALA A 82 -8.182 -15.104 28.791 1.00 75.21 H new ATOM 1310 N ASP A 83 -8.112 -16.368 32.348 1.00 32.12 N ATOM 1311 CA ASP A 83 -8.900 -17.490 32.834 1.00 14.34 C ATOM 1312 C ASP A 83 -10.292 -17.390 32.228 1.00 3.33 C ATOM 1313 O ASP A 83 -10.647 -16.385 31.618 1.00 73.44 O ATOM 1314 CB ASP A 83 -9.010 -17.527 34.379 1.00 62.33 C ATOM 1315 CG ASP A 83 -7.635 -17.721 35.013 1.00 71.03 C ATOM 1316 OD1 ASP A 83 -7.237 -16.844 35.821 1.00 42.32 O ATOM 1317 OD2 ASP A 83 -7.005 -18.770 34.727 1.00 11.05 O ATOM 0 H ASP A 83 -8.048 -15.581 32.994 1.00 32.12 H new ATOM 0 HA ASP A 83 -8.398 -18.410 32.534 1.00 14.34 H new ATOM 0 HB2 ASP A 83 -9.455 -16.599 34.739 1.00 62.33 H new ATOM 0 HB3 ASP A 83 -9.673 -18.337 34.682 1.00 62.33 H new ATOM 1322 N GLU A 84 -11.136 -18.433 32.383 1.00 52.13 N ATOM 1323 CA GLU A 84 -12.435 -18.497 31.719 1.00 60.21 C ATOM 1324 C GLU A 84 -13.387 -17.408 32.188 1.00 74.34 C ATOM 1325 O GLU A 84 -14.160 -16.848 31.414 1.00 42.45 O ATOM 1326 CB GLU A 84 -13.086 -19.904 31.861 1.00 63.42 C ATOM 1327 CG GLU A 84 -13.454 -20.339 33.299 1.00 72.10 C ATOM 1328 CD GLU A 84 -14.034 -21.755 33.350 1.00 1.41 C ATOM 1329 OE1 GLU A 84 -13.394 -22.620 34.002 1.00 55.30 O ATOM 1330 OE2 GLU A 84 -15.118 -21.972 32.751 1.00 13.23 O ATOM 0 H GLU A 84 -10.929 -19.242 32.969 1.00 52.13 H new ATOM 0 HA GLU A 84 -12.243 -18.319 30.661 1.00 60.21 H new ATOM 0 HB2 GLU A 84 -13.990 -19.927 31.253 1.00 63.42 H new ATOM 0 HB3 GLU A 84 -12.402 -20.643 31.443 1.00 63.42 H new ATOM 0 HG2 GLU A 84 -12.566 -20.290 33.929 1.00 72.10 H new ATOM 0 HG3 GLU A 84 -14.178 -19.638 33.714 1.00 72.10 H new ATOM 1337 N ALA A 85 -13.280 -17.056 33.486 1.00 43.03 N ATOM 1338 CA ALA A 85 -13.962 -15.961 34.137 1.00 72.44 C ATOM 1339 C ALA A 85 -13.517 -14.603 33.613 1.00 1.31 C ATOM 1340 O ALA A 85 -14.322 -13.719 33.332 1.00 12.31 O ATOM 1341 CB ALA A 85 -13.709 -16.057 35.653 1.00 62.31 C ATOM 0 H ALA A 85 -12.677 -17.569 34.129 1.00 43.03 H new ATOM 0 HA ALA A 85 -15.027 -16.044 33.920 1.00 72.44 H new ATOM 0 HB1 ALA A 85 -14.218 -15.237 36.159 1.00 62.31 H new ATOM 0 HB2 ALA A 85 -14.092 -17.007 36.026 1.00 62.31 H new ATOM 0 HB3 ALA A 85 -12.638 -15.995 35.848 1.00 62.31 H new ATOM 1347 N MET A 86 -12.189 -14.421 33.449 1.00 61.23 N ATOM 1348 CA MET A 86 -11.576 -13.219 32.922 1.00 52.31 C ATOM 1349 C MET A 86 -11.888 -13.007 31.456 1.00 5.34 C ATOM 1350 O MET A 86 -12.114 -11.884 31.009 1.00 12.23 O ATOM 1351 CB MET A 86 -10.048 -13.231 33.095 1.00 63.23 C ATOM 1352 CG MET A 86 -9.577 -13.233 34.560 1.00 2.11 C ATOM 1353 SD MET A 86 -7.782 -13.463 34.718 1.00 15.10 S ATOM 1354 CE MET A 86 -7.768 -13.347 36.529 1.00 11.13 C ATOM 0 H MET A 86 -11.507 -15.139 33.692 1.00 61.23 H new ATOM 0 HA MET A 86 -12.004 -12.400 33.500 1.00 52.31 H new ATOM 0 HB2 MET A 86 -9.644 -14.111 32.595 1.00 63.23 H new ATOM 0 HB3 MET A 86 -9.630 -12.359 32.592 1.00 63.23 H new ATOM 0 HG2 MET A 86 -9.861 -12.292 35.030 1.00 2.11 H new ATOM 0 HG3 MET A 86 -10.090 -14.028 35.101 1.00 2.11 H new ATOM 0 HE1 MET A 86 -6.747 -13.460 36.893 1.00 11.13 H new ATOM 0 HE2 MET A 86 -8.157 -12.376 36.834 1.00 11.13 H new ATOM 0 HE3 MET A 86 -8.392 -14.136 36.949 1.00 11.13 H new ATOM 1364 N ALA A 87 -11.901 -14.103 30.671 1.00 35.34 N ATOM 1365 CA ALA A 87 -12.239 -14.084 29.265 1.00 33.54 C ATOM 1366 C ALA A 87 -13.653 -13.575 29.006 1.00 24.02 C ATOM 1367 O ALA A 87 -13.877 -12.667 28.207 1.00 41.14 O ATOM 1368 CB ALA A 87 -12.094 -15.512 28.696 1.00 73.14 C ATOM 0 H ALA A 87 -11.670 -15.034 31.018 1.00 35.34 H new ATOM 0 HA ALA A 87 -11.555 -13.395 28.770 1.00 33.54 H new ATOM 0 HB1 ALA A 87 -12.347 -15.509 27.636 1.00 73.14 H new ATOM 0 HB2 ALA A 87 -11.066 -15.852 28.823 1.00 73.14 H new ATOM 0 HB3 ALA A 87 -12.767 -16.185 29.227 1.00 73.14 H new ATOM 1374 N LYS A 88 -14.647 -14.097 29.758 1.00 54.23 N ATOM 1375 CA LYS A 88 -16.022 -13.639 29.663 1.00 24.24 C ATOM 1376 C LYS A 88 -16.197 -12.249 30.233 1.00 63.51 C ATOM 1377 O LYS A 88 -17.029 -11.483 29.759 1.00 13.41 O ATOM 1378 CB LYS A 88 -17.049 -14.615 30.303 1.00 74.24 C ATOM 1379 CG LYS A 88 -16.967 -14.811 31.826 1.00 42.03 C ATOM 1380 CD LYS A 88 -18.045 -15.764 32.372 1.00 64.32 C ATOM 1381 CE LYS A 88 -19.443 -15.143 32.381 1.00 12.25 C ATOM 1382 NZ LYS A 88 -20.429 -16.138 32.844 1.00 63.21 N ATOM 0 H LYS A 88 -14.505 -14.843 30.439 1.00 54.23 H new ATOM 0 HA LYS A 88 -16.235 -13.609 28.594 1.00 24.24 H new ATOM 0 HB2 LYS A 88 -18.051 -14.261 30.060 1.00 74.24 H new ATOM 0 HB3 LYS A 88 -16.932 -15.589 29.829 1.00 74.24 H new ATOM 0 HG2 LYS A 88 -15.982 -15.201 32.083 1.00 42.03 H new ATOM 0 HG3 LYS A 88 -17.065 -13.843 32.317 1.00 42.03 H new ATOM 0 HD2 LYS A 88 -18.060 -16.671 31.767 1.00 64.32 H new ATOM 0 HD3 LYS A 88 -17.779 -16.061 33.386 1.00 64.32 H new ATOM 0 HE2 LYS A 88 -19.459 -14.270 33.034 1.00 12.25 H new ATOM 0 HE3 LYS A 88 -19.704 -14.797 31.381 1.00 12.25 H new ATOM 0 HZ1 LYS A 88 -21.377 -15.711 32.848 1.00 63.21 H new ATOM 0 HZ2 LYS A 88 -20.421 -16.958 32.204 1.00 63.21 H new ATOM 0 HZ3 LYS A 88 -20.184 -16.447 33.806 1.00 63.21 H new ATOM 1396 N GLN A 89 -15.366 -11.858 31.225 1.00 14.42 N ATOM 1397 CA GLN A 89 -15.296 -10.514 31.751 1.00 12.43 C ATOM 1398 C GLN A 89 -14.910 -9.454 30.747 1.00 42.41 C ATOM 1399 O GLN A 89 -15.548 -8.406 30.730 1.00 24.32 O ATOM 1400 CB GLN A 89 -14.373 -10.430 32.989 1.00 74.44 C ATOM 1401 CG GLN A 89 -14.216 -9.003 33.550 1.00 33.12 C ATOM 1402 CD GLN A 89 -13.670 -8.979 34.976 1.00 14.42 C ATOM 1403 OE1 GLN A 89 -14.300 -8.459 35.898 1.00 73.05 O ATOM 1404 NE2 GLN A 89 -12.462 -9.561 35.169 1.00 62.40 N ATOM 0 H GLN A 89 -14.717 -12.499 31.680 1.00 14.42 H new ATOM 0 HA GLN A 89 -16.323 -10.292 32.043 1.00 12.43 H new ATOM 0 HB2 GLN A 89 -14.770 -11.077 33.771 1.00 74.44 H new ATOM 0 HB3 GLN A 89 -13.389 -10.817 32.724 1.00 74.44 H new ATOM 0 HG2 GLN A 89 -13.549 -8.435 32.902 1.00 33.12 H new ATOM 0 HG3 GLN A 89 -15.184 -8.502 33.529 1.00 33.12 H new ATOM 0 HE21 GLN A 89 -11.967 -9.982 34.383 1.00 62.40 H new ATOM 0 HE22 GLN A 89 -12.047 -9.578 36.101 1.00 62.40 H new ATOM 1413 N LEU A 90 -13.919 -9.662 29.844 1.00 54.52 N ATOM 1414 CA LEU A 90 -13.613 -8.688 28.836 1.00 53.03 C ATOM 1415 C LEU A 90 -14.768 -8.460 27.871 1.00 73.53 C ATOM 1416 O LEU A 90 -15.116 -7.327 27.541 1.00 42.41 O ATOM 1417 CB LEU A 90 -12.344 -9.126 28.084 1.00 63.01 C ATOM 1418 CG LEU A 90 -11.001 -9.119 28.858 1.00 23.42 C ATOM 1419 CD1 LEU A 90 -9.830 -9.481 27.917 1.00 71.24 C ATOM 1420 CD2 LEU A 90 -10.685 -7.819 29.620 1.00 14.54 C ATOM 0 H LEU A 90 -13.337 -10.499 29.816 1.00 54.52 H new ATOM 0 HA LEU A 90 -13.440 -7.732 29.330 1.00 53.03 H new ATOM 0 HB2 LEU A 90 -12.509 -10.137 27.711 1.00 63.01 H new ATOM 0 HB3 LEU A 90 -12.231 -8.479 27.214 1.00 63.01 H new ATOM 0 HG LEU A 90 -11.122 -9.880 29.629 1.00 23.42 H new ATOM 0 HD11 LEU A 90 -8.896 -9.471 28.478 1.00 71.24 H new ATOM 0 HD12 LEU A 90 -9.992 -10.475 27.500 1.00 71.24 H new ATOM 0 HD13 LEU A 90 -9.775 -8.753 27.108 1.00 71.24 H new ATOM 0 HD21 LEU A 90 -9.725 -7.918 30.127 1.00 14.54 H new ATOM 0 HD22 LEU A 90 -10.640 -6.987 28.917 1.00 14.54 H new ATOM 0 HD23 LEU A 90 -11.466 -7.630 30.356 1.00 14.54 H new ATOM 1432 N LEU A 91 -15.442 -9.546 27.451 1.00 14.10 N ATOM 1433 CA LEU A 91 -16.652 -9.481 26.653 1.00 13.24 C ATOM 1434 C LEU A 91 -17.805 -8.811 27.423 1.00 65.33 C ATOM 1435 O LEU A 91 -18.567 -8.016 26.872 1.00 14.20 O ATOM 1436 CB LEU A 91 -16.997 -10.914 26.172 1.00 34.25 C ATOM 1437 CG LEU A 91 -15.974 -11.488 25.154 1.00 51.03 C ATOM 1438 CD1 LEU A 91 -15.813 -13.002 25.297 1.00 64.21 C ATOM 1439 CD2 LEU A 91 -16.374 -11.200 23.705 1.00 41.12 C ATOM 0 H LEU A 91 -15.148 -10.499 27.666 1.00 14.10 H new ATOM 0 HA LEU A 91 -16.490 -8.850 25.779 1.00 13.24 H new ATOM 0 HB2 LEU A 91 -17.049 -11.576 27.036 1.00 34.25 H new ATOM 0 HB3 LEU A 91 -17.987 -10.907 25.716 1.00 34.25 H new ATOM 0 HG LEU A 91 -15.033 -10.988 25.383 1.00 51.03 H new ATOM 0 HD11 LEU A 91 -15.089 -13.362 24.566 1.00 64.21 H new ATOM 0 HD12 LEU A 91 -15.462 -13.237 26.302 1.00 64.21 H new ATOM 0 HD13 LEU A 91 -16.773 -13.488 25.125 1.00 64.21 H new ATOM 0 HD21 LEU A 91 -15.628 -11.621 23.031 1.00 41.12 H new ATOM 0 HD22 LEU A 91 -17.345 -11.651 23.499 1.00 41.12 H new ATOM 0 HD23 LEU A 91 -16.435 -10.123 23.552 1.00 41.12 H new ATOM 1451 N ASP A 92 -17.946 -9.097 28.740 1.00 23.43 N ATOM 1452 CA ASP A 92 -18.926 -8.498 29.628 1.00 64.20 C ATOM 1453 C ASP A 92 -18.726 -7.012 29.889 1.00 73.21 C ATOM 1454 O ASP A 92 -19.690 -6.255 29.867 1.00 24.34 O ATOM 1455 CB ASP A 92 -18.981 -9.328 30.923 1.00 5.32 C ATOM 1456 CG ASP A 92 -20.103 -8.980 31.894 1.00 5.23 C ATOM 1457 OD1 ASP A 92 -21.284 -9.229 31.527 1.00 5.33 O ATOM 1458 OD2 ASP A 92 -19.791 -8.496 33.011 1.00 21.12 O ATOM 0 H ASP A 92 -17.351 -9.777 29.213 1.00 23.43 H new ATOM 0 HA ASP A 92 -19.892 -8.529 29.125 1.00 64.20 H new ATOM 0 HB2 ASP A 92 -19.075 -10.380 30.653 1.00 5.32 H new ATOM 0 HB3 ASP A 92 -18.030 -9.216 31.443 1.00 5.32 H new ATOM 1463 N ILE A 93 -17.467 -6.550 30.087 1.00 41.52 N ATOM 1464 CA ILE A 93 -17.111 -5.129 30.182 1.00 5.03 C ATOM 1465 C ILE A 93 -17.515 -4.429 28.912 1.00 11.13 C ATOM 1466 O ILE A 93 -18.125 -3.363 28.942 1.00 45.44 O ATOM 1467 CB ILE A 93 -15.611 -4.866 30.323 1.00 0.34 C ATOM 1468 CG1 ILE A 93 -15.025 -5.306 31.681 1.00 30.11 C ATOM 1469 CG2 ILE A 93 -15.274 -3.377 30.072 1.00 22.13 C ATOM 1470 CD1 ILE A 93 -13.483 -5.367 31.713 1.00 12.22 C ATOM 0 H ILE A 93 -16.664 -7.171 30.186 1.00 41.52 H new ATOM 0 HA ILE A 93 -17.624 -4.768 31.073 1.00 5.03 H new ATOM 0 HB ILE A 93 -15.142 -5.484 29.558 1.00 0.34 H new ATOM 0 HG12 ILE A 93 -15.367 -4.616 32.452 1.00 30.11 H new ATOM 0 HG13 ILE A 93 -15.422 -6.289 31.934 1.00 30.11 H new ATOM 0 HG21 ILE A 93 -14.200 -3.224 30.180 1.00 22.13 H new ATOM 0 HG22 ILE A 93 -15.581 -3.100 29.063 1.00 22.13 H new ATOM 0 HG23 ILE A 93 -15.803 -2.757 30.796 1.00 22.13 H new ATOM 0 HD11 ILE A 93 -13.152 -5.684 32.702 1.00 12.22 H new ATOM 0 HD12 ILE A 93 -13.131 -6.079 30.967 1.00 12.22 H new ATOM 0 HD13 ILE A 93 -13.075 -4.380 31.493 1.00 12.22 H new ATOM 1482 N LYS A 94 -17.214 -5.052 27.754 1.00 61.23 N ATOM 1483 CA LYS A 94 -17.546 -4.517 26.461 1.00 25.13 C ATOM 1484 C LYS A 94 -19.019 -4.302 26.333 1.00 63.51 C ATOM 1485 O LYS A 94 -19.459 -3.200 26.036 1.00 71.24 O ATOM 1486 CB LYS A 94 -17.064 -5.504 25.355 1.00 11.14 C ATOM 1487 CG LYS A 94 -17.992 -5.610 24.129 1.00 31.23 C ATOM 1488 CD LYS A 94 -17.389 -6.171 22.838 1.00 60.21 C ATOM 1489 CE LYS A 94 -18.038 -5.441 21.666 1.00 23.20 C ATOM 1490 NZ LYS A 94 -17.385 -5.749 20.384 1.00 25.11 N ATOM 0 H LYS A 94 -16.729 -5.948 27.713 1.00 61.23 H new ATOM 0 HA LYS A 94 -17.048 -3.554 26.345 1.00 25.13 H new ATOM 0 HB2 LYS A 94 -16.075 -5.194 25.018 1.00 11.14 H new ATOM 0 HB3 LYS A 94 -16.954 -6.495 25.796 1.00 11.14 H new ATOM 0 HG2 LYS A 94 -18.843 -6.234 24.403 1.00 31.23 H new ATOM 0 HG3 LYS A 94 -18.382 -4.615 23.914 1.00 31.23 H new ATOM 0 HD2 LYS A 94 -16.309 -6.027 22.827 1.00 60.21 H new ATOM 0 HD3 LYS A 94 -17.569 -7.244 22.767 1.00 60.21 H new ATOM 0 HE2 LYS A 94 -19.092 -5.715 21.609 1.00 23.20 H new ATOM 0 HE3 LYS A 94 -17.997 -4.366 21.843 1.00 23.20 H new ATOM 0 HZ1 LYS A 94 -17.514 -4.952 19.728 1.00 25.11 H new ATOM 0 HZ2 LYS A 94 -16.369 -5.907 20.541 1.00 25.11 H new ATOM 0 HZ3 LYS A 94 -17.810 -6.606 19.975 1.00 25.11 H new ATOM 1504 N HIS A 95 -19.851 -5.309 26.642 1.00 52.01 N ATOM 1505 CA HIS A 95 -21.251 -5.159 26.294 1.00 71.51 C ATOM 1506 C HIS A 95 -21.906 -4.206 27.253 1.00 33.02 C ATOM 1507 O HIS A 95 -22.867 -3.511 26.940 1.00 0.15 O ATOM 1508 CB HIS A 95 -22.008 -6.481 26.346 1.00 12.22 C ATOM 1509 CG HIS A 95 -22.484 -7.041 27.623 1.00 42.21 C ATOM 1510 ND1 HIS A 95 -23.596 -6.701 28.336 1.00 23.25 N ATOM 1511 CD2 HIS A 95 -21.887 -8.044 28.253 1.00 52.33 C ATOM 1512 CE1 HIS A 95 -23.645 -7.468 29.410 1.00 44.10 C ATOM 1513 NE2 HIS A 95 -22.607 -8.288 29.387 1.00 24.10 N ATOM 0 H HIS A 95 -19.591 -6.181 27.104 1.00 52.01 H new ATOM 0 HA HIS A 95 -21.288 -4.782 25.272 1.00 71.51 H new ATOM 0 HB2 HIS A 95 -22.880 -6.373 25.702 1.00 12.22 H new ATOM 0 HB3 HIS A 95 -21.365 -7.233 25.889 1.00 12.22 H new ATOM 0 HD2 HIS A 95 -21.000 -8.568 27.930 1.00 52.33 H new ATOM 0 HE1 HIS A 95 -24.404 -7.432 30.177 1.00 44.10 H new ATOM 0 HE2 HIS A 95 -22.382 -8.985 30.097 1.00 24.10 H new ATOM 1522 N SER A 96 -21.327 -4.180 28.471 1.00 64.22 N ATOM 1523 CA SER A 96 -21.746 -3.284 29.549 1.00 74.41 C ATOM 1524 C SER A 96 -21.487 -1.830 29.194 1.00 23.12 C ATOM 1525 O SER A 96 -22.321 -0.945 29.365 1.00 72.12 O ATOM 1526 CB SER A 96 -21.021 -3.619 30.873 1.00 51.30 C ATOM 1527 OG SER A 96 -21.472 -2.833 31.977 1.00 21.12 O ATOM 0 H SER A 96 -20.550 -4.788 28.728 1.00 64.22 H new ATOM 0 HA SER A 96 -22.818 -3.432 29.681 1.00 74.41 H new ATOM 0 HB2 SER A 96 -21.168 -4.674 31.103 1.00 51.30 H new ATOM 0 HB3 SER A 96 -19.950 -3.467 30.741 1.00 51.30 H new ATOM 0 HG SER A 96 -20.980 -3.090 32.784 1.00 21.12 H new ATOM 1533 N CYS A 97 -20.296 -1.567 28.630 1.00 44.22 N ATOM 1534 CA CYS A 97 -19.882 -0.277 28.130 1.00 43.45 C ATOM 1535 C CYS A 97 -20.663 0.205 26.933 1.00 32.51 C ATOM 1536 O CYS A 97 -20.902 1.400 26.795 1.00 61.34 O ATOM 1537 CB CYS A 97 -18.369 -0.238 27.847 1.00 13.23 C ATOM 1538 SG CYS A 97 -17.324 0.056 29.296 1.00 61.13 S ATOM 0 H CYS A 97 -19.580 -2.284 28.513 1.00 44.22 H new ATOM 0 HA CYS A 97 -20.109 0.422 28.935 1.00 43.45 H new ATOM 0 HB2 CYS A 97 -18.076 -1.184 27.393 1.00 13.23 H new ATOM 0 HB3 CYS A 97 -18.173 0.543 27.112 1.00 13.23 H new ATOM 1543 N GLU A 98 -21.120 -0.708 26.051 1.00 44.31 N ATOM 1544 CA GLU A 98 -21.876 -0.391 24.841 1.00 72.33 C ATOM 1545 C GLU A 98 -23.191 0.298 25.147 1.00 43.14 C ATOM 1546 O GLU A 98 -23.743 1.027 24.331 1.00 53.03 O ATOM 1547 CB GLU A 98 -22.150 -1.686 24.038 1.00 44.00 C ATOM 1548 CG GLU A 98 -20.857 -2.291 23.445 1.00 42.41 C ATOM 1549 CD GLU A 98 -20.440 -1.671 22.111 1.00 20.24 C ATOM 1550 OE1 GLU A 98 -20.203 -0.439 22.063 1.00 43.04 O ATOM 1551 OE2 GLU A 98 -20.352 -2.444 21.120 1.00 44.12 O ATOM 0 H GLU A 98 -20.965 -1.709 26.172 1.00 44.31 H new ATOM 0 HA GLU A 98 -21.269 0.298 24.253 1.00 72.33 H new ATOM 0 HB2 GLU A 98 -22.628 -2.420 24.687 1.00 44.00 H new ATOM 0 HB3 GLU A 98 -22.851 -1.470 23.232 1.00 44.00 H new ATOM 0 HG2 GLU A 98 -20.046 -2.165 24.162 1.00 42.41 H new ATOM 0 HG3 GLU A 98 -20.998 -3.363 23.308 1.00 42.41 H new ATOM 1558 N LYS A 99 -23.713 0.060 26.360 1.00 12.13 N ATOM 1559 CA LYS A 99 -24.944 0.607 26.877 1.00 63.55 C ATOM 1560 C LYS A 99 -24.745 2.062 27.256 1.00 53.11 C ATOM 1561 O LYS A 99 -25.629 2.897 27.075 1.00 52.21 O ATOM 1562 CB LYS A 99 -25.344 -0.162 28.158 1.00 14.35 C ATOM 1563 CG LYS A 99 -25.594 -1.664 27.947 1.00 70.34 C ATOM 1564 CD LYS A 99 -25.577 -2.443 29.278 1.00 62.12 C ATOM 1565 CE LYS A 99 -26.911 -2.491 30.027 1.00 14.41 C ATOM 1566 NZ LYS A 99 -27.892 -3.309 29.285 1.00 0.55 N ATOM 0 H LYS A 99 -23.251 -0.554 27.030 1.00 12.13 H new ATOM 0 HA LYS A 99 -25.715 0.519 26.112 1.00 63.55 H new ATOM 0 HB2 LYS A 99 -24.557 -0.038 28.902 1.00 14.35 H new ATOM 0 HB3 LYS A 99 -26.246 0.289 28.571 1.00 14.35 H new ATOM 0 HG2 LYS A 99 -26.556 -1.806 27.456 1.00 70.34 H new ATOM 0 HG3 LYS A 99 -24.833 -2.068 27.280 1.00 70.34 H new ATOM 0 HD2 LYS A 99 -25.255 -3.465 29.077 1.00 62.12 H new ATOM 0 HD3 LYS A 99 -24.828 -1.996 29.932 1.00 62.12 H new ATOM 0 HE2 LYS A 99 -26.761 -2.907 31.023 1.00 14.41 H new ATOM 0 HE3 LYS A 99 -27.297 -1.480 30.159 1.00 14.41 H new ATOM 0 HZ1 LYS A 99 -28.707 -3.515 29.898 1.00 0.55 H new ATOM 0 HZ2 LYS A 99 -28.214 -2.788 28.445 1.00 0.55 H new ATOM 0 HZ3 LYS A 99 -27.447 -4.201 28.989 1.00 0.55 H new ATOM 1580 N VAL A 100 -23.571 2.363 27.861 1.00 3.24 N ATOM 1581 CA VAL A 100 -23.323 3.613 28.553 1.00 21.51 C ATOM 1582 C VAL A 100 -22.630 4.612 27.654 1.00 34.10 C ATOM 1583 O VAL A 100 -22.814 5.820 27.794 1.00 14.24 O ATOM 1584 CB VAL A 100 -22.520 3.435 29.845 1.00 34.12 C ATOM 1585 CG1 VAL A 100 -23.300 2.469 30.749 1.00 32.41 C ATOM 1586 CG2 VAL A 100 -21.086 2.937 29.627 1.00 21.34 C ATOM 0 H VAL A 100 -22.774 1.727 27.872 1.00 3.24 H new ATOM 0 HA VAL A 100 -24.305 3.997 28.829 1.00 21.51 H new ATOM 0 HB VAL A 100 -22.406 4.415 30.309 1.00 34.12 H new ATOM 0 HG11 VAL A 100 -22.753 2.321 31.680 1.00 32.41 H new ATOM 0 HG12 VAL A 100 -24.282 2.888 30.968 1.00 32.41 H new ATOM 0 HG13 VAL A 100 -23.419 1.512 30.242 1.00 32.41 H new ATOM 0 HG21 VAL A 100 -20.585 2.837 30.590 1.00 21.34 H new ATOM 0 HG22 VAL A 100 -21.109 1.968 29.128 1.00 21.34 H new ATOM 0 HG23 VAL A 100 -20.543 3.651 29.008 1.00 21.34 H new ATOM 1596 N ILE A 101 -21.816 4.129 26.689 1.00 60.21 N ATOM 1597 CA ILE A 101 -21.194 4.979 25.688 1.00 43.35 C ATOM 1598 C ILE A 101 -22.168 5.495 24.648 1.00 15.01 C ATOM 1599 O ILE A 101 -23.197 4.893 24.346 1.00 13.21 O ATOM 1600 CB ILE A 101 -20.036 4.332 24.942 1.00 52.53 C ATOM 1601 CG1 ILE A 101 -20.424 3.063 24.143 1.00 74.23 C ATOM 1602 CG2 ILE A 101 -18.895 4.051 25.939 1.00 42.02 C ATOM 1603 CD1 ILE A 101 -19.850 3.067 22.728 1.00 14.32 C ATOM 0 H ILE A 101 -21.582 3.141 26.595 1.00 60.21 H new ATOM 0 HA ILE A 101 -20.812 5.804 26.289 1.00 43.35 H new ATOM 0 HB ILE A 101 -19.704 5.038 24.181 1.00 52.53 H new ATOM 0 HG12 ILE A 101 -20.068 2.180 24.674 1.00 74.23 H new ATOM 0 HG13 ILE A 101 -21.510 2.988 24.091 1.00 74.23 H new ATOM 0 HG21 ILE A 101 -18.060 3.587 25.415 1.00 42.02 H new ATOM 0 HG22 ILE A 101 -18.566 4.988 26.389 1.00 42.02 H new ATOM 0 HG23 ILE A 101 -19.251 3.379 26.720 1.00 42.02 H new ATOM 0 HD11 ILE A 101 -20.151 2.156 22.211 1.00 14.32 H new ATOM 0 HD12 ILE A 101 -20.226 3.934 22.185 1.00 14.32 H new ATOM 0 HD13 ILE A 101 -18.762 3.114 22.777 1.00 14.32 H new ATOM 1615 N THR A 102 -21.830 6.646 24.024 1.00 44.51 N ATOM 1616 CA THR A 102 -22.489 7.063 22.797 1.00 63.43 C ATOM 1617 C THR A 102 -22.151 6.137 21.646 1.00 22.54 C ATOM 1618 O THR A 102 -20.993 5.993 21.250 1.00 23.41 O ATOM 1619 CB THR A 102 -22.179 8.501 22.393 1.00 43.01 C ATOM 1620 OG1 THR A 102 -22.635 9.401 23.393 1.00 11.13 O ATOM 1621 CG2 THR A 102 -22.821 8.887 21.046 1.00 40.11 C ATOM 0 H THR A 102 -21.110 7.287 24.357 1.00 44.51 H new ATOM 0 HA THR A 102 -23.555 7.009 23.016 1.00 63.43 H new ATOM 0 HB THR A 102 -21.097 8.568 22.284 1.00 43.01 H new ATOM 0 HG1 THR A 102 -22.429 10.321 23.124 1.00 11.13 H new ATOM 0 HG21 THR A 102 -22.569 9.920 20.806 1.00 40.11 H new ATOM 0 HG22 THR A 102 -22.445 8.230 20.262 1.00 40.11 H new ATOM 0 HG23 THR A 102 -23.904 8.785 21.116 1.00 40.11 H new ATOM 1629 N ILE A 103 -23.213 5.550 21.060 1.00 54.31 N ATOM 1630 CA ILE A 103 -23.260 4.761 19.869 1.00 22.10 C ATOM 1631 C ILE A 103 -23.798 5.700 18.853 1.00 13.20 C ATOM 1632 O ILE A 103 -24.794 6.388 19.078 1.00 74.14 O ATOM 1633 CB ILE A 103 -24.183 3.552 19.911 1.00 42.41 C ATOM 1634 CG1 ILE A 103 -23.719 2.571 21.008 1.00 25.23 C ATOM 1635 CG2 ILE A 103 -24.351 2.907 18.502 1.00 32.13 C ATOM 1636 CD1 ILE A 103 -24.571 1.310 21.051 1.00 4.34 C ATOM 0 H ILE A 103 -24.141 5.642 21.472 1.00 54.31 H new ATOM 0 HA ILE A 103 -22.269 4.348 19.682 1.00 22.10 H new ATOM 0 HB ILE A 103 -25.187 3.872 20.188 1.00 42.41 H new ATOM 0 HG12 ILE A 103 -22.678 2.298 20.832 1.00 25.23 H new ATOM 0 HG13 ILE A 103 -23.759 3.068 21.977 1.00 25.23 H new ATOM 0 HG21 ILE A 103 -25.017 2.047 18.573 1.00 32.13 H new ATOM 0 HG22 ILE A 103 -24.775 3.639 17.815 1.00 32.13 H new ATOM 0 HG23 ILE A 103 -23.378 2.583 18.132 1.00 32.13 H new ATOM 0 HD11 ILE A 103 -24.206 0.651 21.839 1.00 4.34 H new ATOM 0 HD12 ILE A 103 -25.608 1.578 21.254 1.00 4.34 H new ATOM 0 HD13 ILE A 103 -24.510 0.797 20.091 1.00 4.34 H new ATOM 1648 N VAL A 104 -23.131 5.751 17.703 1.00 61.13 N ATOM 1649 CA VAL A 104 -23.563 6.605 16.646 1.00 53.33 C ATOM 1650 C VAL A 104 -23.981 5.691 15.520 1.00 71.12 C ATOM 1651 O VAL A 104 -23.228 4.823 15.083 1.00 23.41 O ATOM 1652 CB VAL A 104 -22.469 7.460 16.121 1.00 71.15 C ATOM 1653 CG1 VAL A 104 -22.975 8.482 15.154 1.00 42.40 C ATOM 1654 CG2 VAL A 104 -21.599 8.133 17.172 1.00 71.04 C ATOM 0 H VAL A 104 -22.294 5.206 17.498 1.00 61.13 H new ATOM 0 HA VAL A 104 -24.354 7.257 17.018 1.00 53.33 H new ATOM 0 HB VAL A 104 -21.820 6.751 15.608 1.00 71.15 H new ATOM 0 HG11 VAL A 104 -22.142 9.086 14.794 1.00 42.40 H new ATOM 0 HG12 VAL A 104 -23.451 7.981 14.311 1.00 42.40 H new ATOM 0 HG13 VAL A 104 -23.702 9.125 15.651 1.00 42.40 H new ATOM 0 HG21 VAL A 104 -20.833 8.732 16.680 1.00 71.04 H new ATOM 0 HG22 VAL A 104 -22.217 8.777 17.798 1.00 71.04 H new ATOM 0 HG23 VAL A 104 -21.123 7.373 17.791 1.00 71.04 H new ATOM 1664 N ALA A 105 -25.193 5.898 14.995 1.00 72.44 N ATOM 1665 CA ALA A 105 -25.649 5.259 13.783 1.00 13.42 C ATOM 1666 C ALA A 105 -24.861 5.629 12.531 1.00 54.21 C ATOM 1667 O ALA A 105 -24.474 4.775 11.739 1.00 52.32 O ATOM 1668 CB ALA A 105 -27.130 5.595 13.548 1.00 1.13 C ATOM 0 H ALA A 105 -25.883 6.522 15.413 1.00 72.44 H new ATOM 0 HA ALA A 105 -25.494 4.192 13.942 1.00 13.42 H new ATOM 0 HB1 ALA A 105 -27.472 5.112 12.633 1.00 1.13 H new ATOM 0 HB2 ALA A 105 -27.722 5.237 14.390 1.00 1.13 H new ATOM 0 HB3 ALA A 105 -27.248 6.675 13.454 1.00 1.13 H new ATOM 1674 N ASP A 106 -24.596 6.939 12.348 1.00 12.25 N ATOM 1675 CA ASP A 106 -23.805 7.498 11.269 1.00 51.53 C ATOM 1676 C ASP A 106 -22.334 7.094 11.283 1.00 34.23 C ATOM 1677 O ASP A 106 -21.716 6.937 10.233 1.00 5.24 O ATOM 1678 CB ASP A 106 -23.909 9.046 11.273 1.00 24.22 C ATOM 1679 CG ASP A 106 -25.328 9.478 10.924 1.00 13.21 C ATOM 1680 OD1 ASP A 106 -25.759 9.225 9.771 1.00 3.34 O ATOM 1681 OD2 ASP A 106 -25.991 10.053 11.825 1.00 71.45 O ATOM 0 H ASP A 106 -24.950 7.654 12.984 1.00 12.25 H new ATOM 0 HA ASP A 106 -24.229 7.079 10.357 1.00 51.53 H new ATOM 0 HB2 ASP A 106 -23.634 9.434 12.254 1.00 24.22 H new ATOM 0 HB3 ASP A 106 -23.206 9.467 10.555 1.00 24.22 H new ATOM 1686 N ASP A 107 -21.727 6.996 12.482 1.00 34.20 N ATOM 1687 CA ASP A 107 -20.287 7.006 12.641 1.00 52.11 C ATOM 1688 C ASP A 107 -19.876 5.812 13.506 1.00 32.24 C ATOM 1689 O ASP A 107 -19.781 5.976 14.724 1.00 21.42 O ATOM 1690 CB ASP A 107 -19.862 8.354 13.302 1.00 1.20 C ATOM 1691 CG ASP A 107 -18.368 8.638 13.235 1.00 62.52 C ATOM 1692 OD1 ASP A 107 -17.615 7.945 13.964 1.00 32.53 O ATOM 1693 OD2 ASP A 107 -17.973 9.549 12.461 1.00 13.04 O ATOM 0 H ASP A 107 -22.237 6.908 13.361 1.00 34.20 H new ATOM 0 HA ASP A 107 -19.789 6.921 11.675 1.00 52.11 H new ATOM 0 HB2 ASP A 107 -20.398 9.169 12.815 1.00 1.20 H new ATOM 0 HB3 ASP A 107 -20.173 8.347 14.347 1.00 1.20 H new ATOM 1698 N PRO A 108 -19.583 4.618 12.997 1.00 4.45 N ATOM 1699 CA PRO A 108 -19.217 3.470 13.829 1.00 61.33 C ATOM 1700 C PRO A 108 -17.860 3.640 14.492 1.00 34.24 C ATOM 1701 O PRO A 108 -17.525 2.866 15.389 1.00 44.42 O ATOM 1702 CB PRO A 108 -19.233 2.293 12.838 1.00 65.41 C ATOM 1703 CG PRO A 108 -18.908 2.932 11.485 1.00 33.50 C ATOM 1704 CD PRO A 108 -19.639 4.272 11.573 1.00 73.10 C ATOM 0 HA PRO A 108 -19.900 3.329 14.667 1.00 61.33 H new ATOM 0 HB2 PRO A 108 -18.496 1.536 13.108 1.00 65.41 H new ATOM 0 HB3 PRO A 108 -20.205 1.800 12.822 1.00 65.41 H new ATOM 0 HG2 PRO A 108 -17.835 3.063 11.344 1.00 33.50 H new ATOM 0 HG3 PRO A 108 -19.267 2.327 10.653 1.00 33.50 H new ATOM 0 HD2 PRO A 108 -19.155 5.031 10.959 1.00 73.10 H new ATOM 0 HD3 PRO A 108 -20.668 4.188 11.223 1.00 73.10 H new ATOM 1712 N CYS A 109 -17.058 4.634 14.048 1.00 30.13 N ATOM 1713 CA CYS A 109 -15.740 4.934 14.558 1.00 21.12 C ATOM 1714 C CYS A 109 -15.832 5.464 15.983 1.00 0.32 C ATOM 1715 O CYS A 109 -15.103 5.020 16.867 1.00 62.43 O ATOM 1716 CB CYS A 109 -15.023 5.956 13.643 1.00 53.14 C ATOM 1717 SG CYS A 109 -14.852 5.360 11.926 1.00 74.04 S ATOM 0 H CYS A 109 -17.340 5.262 13.295 1.00 30.13 H new ATOM 0 HA CYS A 109 -15.155 4.014 14.568 1.00 21.12 H new ATOM 0 HB2 CYS A 109 -15.580 6.893 13.645 1.00 53.14 H new ATOM 0 HB3 CYS A 109 -14.035 6.171 14.049 1.00 53.14 H new ATOM 1722 N GLN A 110 -16.800 6.380 16.259 1.00 1.13 N ATOM 1723 CA GLN A 110 -17.146 6.808 17.610 1.00 72.44 C ATOM 1724 C GLN A 110 -17.635 5.674 18.461 1.00 31.15 C ATOM 1725 O GLN A 110 -17.150 5.515 19.574 1.00 51.14 O ATOM 1726 CB GLN A 110 -18.248 7.906 17.641 1.00 0.14 C ATOM 1727 CG GLN A 110 -17.780 9.312 18.077 1.00 22.31 C ATOM 1728 CD GLN A 110 -17.151 10.082 16.928 1.00 42.33 C ATOM 1729 OE1 GLN A 110 -17.629 11.143 16.519 1.00 64.24 O ATOM 1730 NE2 GLN A 110 -16.070 9.502 16.361 1.00 44.31 N ATOM 0 H GLN A 110 -17.355 6.835 15.534 1.00 1.13 H new ATOM 0 HA GLN A 110 -16.214 7.210 18.006 1.00 72.44 H new ATOM 0 HB2 GLN A 110 -18.688 7.982 16.647 1.00 0.14 H new ATOM 0 HB3 GLN A 110 -19.040 7.581 18.316 1.00 0.14 H new ATOM 0 HG2 GLN A 110 -18.629 9.872 18.467 1.00 22.31 H new ATOM 0 HG3 GLN A 110 -17.059 9.219 18.889 1.00 22.31 H new ATOM 0 HE21 GLN A 110 -15.709 8.624 16.733 1.00 44.31 H new ATOM 0 HE22 GLN A 110 -15.615 9.943 15.561 1.00 44.31 H new ATOM 1739 N THR A 111 -18.543 4.819 17.938 1.00 41.14 N ATOM 1740 CA THR A 111 -19.009 3.656 18.700 1.00 21.20 C ATOM 1741 C THR A 111 -17.864 2.737 19.135 1.00 41.03 C ATOM 1742 O THR A 111 -17.779 2.392 20.309 1.00 12.33 O ATOM 1743 CB THR A 111 -20.008 2.799 17.939 1.00 14.24 C ATOM 1744 OG1 THR A 111 -21.125 3.581 17.539 1.00 40.11 O ATOM 1745 CG2 THR A 111 -20.521 1.633 18.822 1.00 14.30 C ATOM 0 H THR A 111 -18.956 4.915 17.010 1.00 41.14 H new ATOM 0 HA THR A 111 -19.493 4.095 19.572 1.00 21.20 H new ATOM 0 HB THR A 111 -19.497 2.398 17.064 1.00 14.24 H new ATOM 0 HG1 THR A 111 -21.590 3.133 16.802 1.00 40.11 H new ATOM 0 HG21 THR A 111 -21.234 1.034 18.256 1.00 14.30 H new ATOM 0 HG22 THR A 111 -19.681 1.008 19.123 1.00 14.30 H new ATOM 0 HG23 THR A 111 -21.009 2.036 19.709 1.00 14.30 H new ATOM 1753 N MET A 112 -16.904 2.371 18.247 1.00 70.02 N ATOM 1754 CA MET A 112 -15.716 1.650 18.680 1.00 71.44 C ATOM 1755 C MET A 112 -14.745 2.397 19.592 1.00 44.31 C ATOM 1756 O MET A 112 -14.332 1.857 20.612 1.00 34.11 O ATOM 1757 CB MET A 112 -14.937 1.066 17.470 1.00 3.54 C ATOM 1758 CG MET A 112 -15.012 -0.475 17.398 1.00 75.42 C ATOM 1759 SD MET A 112 -14.239 -1.315 18.819 1.00 45.31 S ATOM 1760 CE MET A 112 -14.406 -2.993 18.149 1.00 65.11 C ATOM 0 H MET A 112 -16.942 2.567 17.247 1.00 70.02 H new ATOM 0 HA MET A 112 -16.133 0.859 19.303 1.00 71.44 H new ATOM 0 HB2 MET A 112 -15.337 1.488 16.548 1.00 3.54 H new ATOM 0 HB3 MET A 112 -13.893 1.372 17.534 1.00 3.54 H new ATOM 0 HG2 MET A 112 -16.058 -0.776 17.334 1.00 75.42 H new ATOM 0 HG3 MET A 112 -14.527 -0.811 16.481 1.00 75.42 H new ATOM 0 HE1 MET A 112 -13.992 -3.711 18.858 1.00 65.11 H new ATOM 0 HE2 MET A 112 -15.460 -3.215 17.982 1.00 65.11 H new ATOM 0 HE3 MET A 112 -13.866 -3.063 17.205 1.00 65.11 H new ATOM 1770 N LEU A 113 -14.366 3.660 19.287 1.00 34.43 N ATOM 1771 CA LEU A 113 -13.424 4.443 20.090 1.00 72.24 C ATOM 1772 C LEU A 113 -13.961 4.767 21.463 1.00 15.52 C ATOM 1773 O LEU A 113 -13.281 4.558 22.468 1.00 71.13 O ATOM 1774 CB LEU A 113 -13.086 5.720 19.298 1.00 62.15 C ATOM 1775 CG LEU A 113 -11.877 6.638 19.627 1.00 22.34 C ATOM 1776 CD1 LEU A 113 -12.149 8.100 19.210 1.00 12.12 C ATOM 1777 CD2 LEU A 113 -11.181 6.530 20.985 1.00 61.21 C ATOM 0 H LEU A 113 -14.713 4.160 18.468 1.00 34.43 H new ATOM 0 HA LEU A 113 -12.524 3.855 20.267 1.00 72.24 H new ATOM 0 HB2 LEU A 113 -12.965 5.414 18.259 1.00 62.15 H new ATOM 0 HB3 LEU A 113 -13.973 6.352 19.343 1.00 62.15 H new ATOM 0 HG LEU A 113 -11.104 6.197 18.998 1.00 22.34 H new ATOM 0 HD11 LEU A 113 -11.283 8.715 19.454 1.00 12.12 H new ATOM 0 HD12 LEU A 113 -12.334 8.144 18.137 1.00 12.12 H new ATOM 0 HD13 LEU A 113 -13.022 8.474 19.744 1.00 12.12 H new ATOM 0 HD21 LEU A 113 -10.362 7.248 21.032 1.00 61.21 H new ATOM 0 HD22 LEU A 113 -11.897 6.744 21.779 1.00 61.21 H new ATOM 0 HD23 LEU A 113 -10.788 5.522 21.113 1.00 61.21 H new ATOM 1789 N ASN A 114 -15.241 5.208 21.539 1.00 61.14 N ATOM 1790 CA ASN A 114 -15.917 5.511 22.794 1.00 55.14 C ATOM 1791 C ASN A 114 -16.026 4.251 23.636 1.00 15.31 C ATOM 1792 O ASN A 114 -15.794 4.275 24.843 1.00 23.31 O ATOM 1793 CB ASN A 114 -17.362 6.060 22.640 1.00 64.14 C ATOM 1794 CG ASN A 114 -17.389 7.457 22.021 1.00 35.13 C ATOM 1795 OD1 ASN A 114 -16.424 8.221 22.041 1.00 13.54 O ATOM 1796 ND2 ASN A 114 -18.573 7.808 21.450 1.00 2.13 N ATOM 0 H ASN A 114 -15.825 5.360 20.716 1.00 61.14 H new ATOM 0 HA ASN A 114 -15.306 6.287 23.255 1.00 55.14 H new ATOM 0 HB2 ASN A 114 -17.943 5.378 22.019 1.00 64.14 H new ATOM 0 HB3 ASN A 114 -17.843 6.089 23.618 1.00 64.14 H new ATOM 0 HD21 ASN A 114 -18.680 8.728 21.022 1.00 2.13 H new ATOM 0 HD22 ASN A 114 -19.354 7.152 21.450 1.00 2.13 H new ATOM 1803 N LEU A 115 -16.355 3.093 23.008 1.00 34.31 N ATOM 1804 CA LEU A 115 -16.392 1.821 23.691 1.00 11.02 C ATOM 1805 C LEU A 115 -15.047 1.412 24.201 1.00 43.43 C ATOM 1806 O LEU A 115 -14.911 0.994 25.343 1.00 13.42 O ATOM 1807 CB LEU A 115 -16.900 0.694 22.772 1.00 14.22 C ATOM 1808 CG LEU A 115 -16.980 -0.700 23.423 1.00 51.24 C ATOM 1809 CD1 LEU A 115 -15.691 -1.528 23.426 1.00 4.11 C ATOM 1810 CD2 LEU A 115 -17.690 -0.669 24.766 1.00 10.32 C ATOM 0 H LEU A 115 -16.597 3.039 22.019 1.00 34.31 H new ATOM 0 HA LEU A 115 -17.076 1.964 24.528 1.00 11.02 H new ATOM 0 HB2 LEU A 115 -17.891 0.964 22.407 1.00 14.22 H new ATOM 0 HB3 LEU A 115 -16.246 0.634 21.902 1.00 14.22 H new ATOM 0 HG LEU A 115 -17.609 -1.269 22.738 1.00 51.24 H new ATOM 0 HD11 LEU A 115 -15.875 -2.487 23.911 1.00 4.11 H new ATOM 0 HD12 LEU A 115 -15.365 -1.697 22.400 1.00 4.11 H new ATOM 0 HD13 LEU A 115 -14.914 -0.990 23.970 1.00 4.11 H new ATOM 0 HD21 LEU A 115 -17.721 -1.675 25.185 1.00 10.32 H new ATOM 0 HD22 LEU A 115 -17.152 -0.009 25.447 1.00 10.32 H new ATOM 0 HD23 LEU A 115 -18.707 -0.301 24.631 1.00 10.32 H new ATOM 1822 N ALA A 116 -14.014 1.539 23.356 1.00 43.33 N ATOM 1823 CA ALA A 116 -12.665 1.093 23.628 1.00 61.50 C ATOM 1824 C ALA A 116 -12.082 1.837 24.800 1.00 24.42 C ATOM 1825 O ALA A 116 -11.446 1.253 25.678 1.00 50.34 O ATOM 1826 CB ALA A 116 -11.753 1.279 22.400 1.00 54.12 C ATOM 0 H ALA A 116 -14.111 1.971 22.437 1.00 43.33 H new ATOM 0 HA ALA A 116 -12.719 0.031 23.866 1.00 61.50 H new ATOM 0 HB1 ALA A 116 -10.747 0.934 22.638 1.00 54.12 H new ATOM 0 HB2 ALA A 116 -12.146 0.701 21.564 1.00 54.12 H new ATOM 0 HB3 ALA A 116 -11.720 2.334 22.128 1.00 54.12 H new ATOM 1832 N MET A 117 -12.324 3.168 24.843 1.00 25.33 N ATOM 1833 CA MET A 117 -11.863 3.997 25.923 1.00 33.24 C ATOM 1834 C MET A 117 -12.679 3.739 27.201 1.00 61.11 C ATOM 1835 O MET A 117 -12.134 3.859 28.293 1.00 32.13 O ATOM 1836 CB MET A 117 -11.814 5.492 25.454 1.00 51.31 C ATOM 1837 CG MET A 117 -13.166 6.210 25.332 1.00 74.21 C ATOM 1838 SD MET A 117 -13.076 7.901 24.655 1.00 62.22 S ATOM 1839 CE MET A 117 -12.131 8.676 25.999 1.00 33.14 C ATOM 0 H MET A 117 -12.843 3.671 24.123 1.00 25.33 H new ATOM 0 HA MET A 117 -10.841 3.736 26.197 1.00 33.24 H new ATOM 0 HB2 MET A 117 -11.192 6.050 26.154 1.00 51.31 H new ATOM 0 HB3 MET A 117 -11.317 5.531 24.485 1.00 51.31 H new ATOM 0 HG2 MET A 117 -13.822 5.614 24.697 1.00 74.21 H new ATOM 0 HG3 MET A 117 -13.629 6.253 26.318 1.00 74.21 H new ATOM 0 HE1 MET A 117 -12.196 9.761 25.911 1.00 33.14 H new ATOM 0 HE2 MET A 117 -12.542 8.365 26.959 1.00 33.14 H new ATOM 0 HE3 MET A 117 -11.087 8.368 25.934 1.00 33.14 H new ATOM 1849 N CYS A 118 -13.980 3.317 27.112 1.00 20.22 N ATOM 1850 CA CYS A 118 -14.738 2.773 28.256 1.00 31.15 C ATOM 1851 C CYS A 118 -14.261 1.398 28.709 1.00 41.42 C ATOM 1852 O CYS A 118 -14.034 1.166 29.895 1.00 60.02 O ATOM 1853 CB CYS A 118 -16.268 2.681 27.972 1.00 43.12 C ATOM 1854 SG CYS A 118 -17.334 2.105 29.364 1.00 72.32 S ATOM 0 H CYS A 118 -14.517 3.350 26.245 1.00 20.22 H new ATOM 0 HA CYS A 118 -14.550 3.490 29.055 1.00 31.15 H new ATOM 0 HB2 CYS A 118 -16.617 3.666 27.661 1.00 43.12 H new ATOM 0 HB3 CYS A 118 -16.418 2.008 27.127 1.00 43.12 H new ATOM 1859 N PHE A 119 -14.046 0.450 27.766 1.00 25.35 N ATOM 1860 CA PHE A 119 -13.485 -0.862 28.044 1.00 62.24 C ATOM 1861 C PHE A 119 -12.149 -0.853 28.748 1.00 45.22 C ATOM 1862 O PHE A 119 -11.958 -1.544 29.751 1.00 0.32 O ATOM 1863 CB PHE A 119 -13.350 -1.594 26.691 1.00 50.23 C ATOM 1864 CG PHE A 119 -12.625 -2.918 26.732 1.00 14.53 C ATOM 1865 CD1 PHE A 119 -11.247 -2.919 26.442 1.00 34.22 C ATOM 1866 CD2 PHE A 119 -13.245 -4.121 27.094 1.00 24.11 C ATOM 1867 CE1 PHE A 119 -10.505 -4.100 26.493 1.00 74.04 C ATOM 1868 CE2 PHE A 119 -12.494 -5.301 27.163 1.00 64.04 C ATOM 1869 CZ PHE A 119 -11.129 -5.294 26.860 1.00 65.30 C ATOM 0 H PHE A 119 -14.266 0.593 26.780 1.00 25.35 H new ATOM 0 HA PHE A 119 -14.161 -1.363 28.737 1.00 62.24 H new ATOM 0 HB2 PHE A 119 -14.349 -1.760 26.287 1.00 50.23 H new ATOM 0 HB3 PHE A 119 -12.830 -0.937 25.994 1.00 50.23 H new ATOM 0 HD1 PHE A 119 -10.758 -1.993 26.177 1.00 34.22 H new ATOM 0 HD2 PHE A 119 -14.301 -4.138 27.320 1.00 24.11 H new ATOM 0 HE1 PHE A 119 -9.453 -4.090 26.250 1.00 74.04 H new ATOM 0 HE2 PHE A 119 -12.973 -6.224 27.453 1.00 64.04 H new ATOM 0 HZ PHE A 119 -10.559 -6.210 26.910 1.00 65.30 H new ATOM 1879 N LYS A 120 -11.202 -0.033 28.250 1.00 74.05 N ATOM 1880 CA LYS A 120 -9.895 0.116 28.816 1.00 3.14 C ATOM 1881 C LYS A 120 -9.980 0.669 30.227 1.00 21.20 C ATOM 1882 O LYS A 120 -9.177 0.350 31.102 1.00 24.25 O ATOM 1883 CB LYS A 120 -9.020 1.043 27.929 1.00 60.44 C ATOM 1884 CG LYS A 120 -7.573 1.191 28.426 1.00 50.41 C ATOM 1885 CD LYS A 120 -6.698 2.178 27.631 1.00 4.25 C ATOM 1886 CE LYS A 120 -7.151 3.634 27.784 1.00 41.24 C ATOM 1887 NZ LYS A 120 -6.058 4.559 27.427 1.00 33.21 N ATOM 0 H LYS A 120 -11.353 0.546 27.424 1.00 74.05 H new ATOM 0 HA LYS A 120 -9.429 -0.869 28.858 1.00 3.14 H new ATOM 0 HB2 LYS A 120 -9.007 0.651 26.912 1.00 60.44 H new ATOM 0 HB3 LYS A 120 -9.482 2.029 27.884 1.00 60.44 H new ATOM 0 HG2 LYS A 120 -7.596 1.510 29.468 1.00 50.41 H new ATOM 0 HG3 LYS A 120 -7.097 0.211 28.403 1.00 50.41 H new ATOM 0 HD2 LYS A 120 -5.664 2.088 27.963 1.00 4.25 H new ATOM 0 HD3 LYS A 120 -6.719 1.905 26.576 1.00 4.25 H new ATOM 0 HE2 LYS A 120 -8.015 3.820 27.146 1.00 41.24 H new ATOM 0 HE3 LYS A 120 -7.468 3.816 28.811 1.00 41.24 H new ATOM 0 HZ1 LYS A 120 -6.432 5.527 27.356 1.00 33.21 H new ATOM 0 HZ2 LYS A 120 -5.321 4.525 28.160 1.00 33.21 H new ATOM 0 HZ3 LYS A 120 -5.650 4.277 26.513 1.00 33.21 H new ATOM 1901 N ALA A 121 -10.996 1.522 30.468 1.00 33.05 N ATOM 1902 CA ALA A 121 -11.211 2.172 31.746 1.00 74.40 C ATOM 1903 C ALA A 121 -11.478 1.169 32.860 1.00 1.11 C ATOM 1904 O ALA A 121 -10.924 1.243 33.955 1.00 20.23 O ATOM 1905 CB ALA A 121 -12.401 3.147 31.636 1.00 50.01 C ATOM 0 H ALA A 121 -11.690 1.772 29.763 1.00 33.05 H new ATOM 0 HA ALA A 121 -10.300 2.714 31.998 1.00 74.40 H new ATOM 0 HB1 ALA A 121 -12.562 3.635 32.597 1.00 50.01 H new ATOM 0 HB2 ALA A 121 -12.185 3.900 30.878 1.00 50.01 H new ATOM 0 HB3 ALA A 121 -13.298 2.596 31.355 1.00 50.01 H new ATOM 1911 N GLU A 122 -12.338 0.176 32.560 1.00 52.24 N ATOM 1912 CA GLU A 122 -12.666 -0.926 33.432 1.00 34.55 C ATOM 1913 C GLU A 122 -11.514 -1.898 33.683 1.00 12.24 C ATOM 1914 O GLU A 122 -11.229 -2.214 34.829 1.00 60.00 O ATOM 1915 CB GLU A 122 -13.909 -1.641 32.849 1.00 33.24 C ATOM 1916 CG GLU A 122 -15.215 -0.804 32.960 1.00 70.10 C ATOM 1917 CD GLU A 122 -15.720 -0.678 34.398 1.00 61.22 C ATOM 1918 OE1 GLU A 122 -16.135 -1.723 34.963 1.00 52.44 O ATOM 1919 OE2 GLU A 122 -15.706 0.459 34.941 1.00 43.03 O ATOM 0 H GLU A 122 -12.831 0.135 31.668 1.00 52.24 H new ATOM 0 HA GLU A 122 -12.882 -0.521 34.421 1.00 34.55 H new ATOM 0 HB2 GLU A 122 -13.725 -1.875 31.800 1.00 33.24 H new ATOM 0 HB3 GLU A 122 -14.049 -2.589 33.368 1.00 33.24 H new ATOM 0 HG2 GLU A 122 -15.038 0.192 32.554 1.00 70.10 H new ATOM 0 HG3 GLU A 122 -15.990 -1.265 32.347 1.00 70.10 H new ATOM 1926 N ILE A 123 -10.748 -2.350 32.661 1.00 34.50 N ATOM 1927 CA ILE A 123 -9.564 -3.180 32.859 1.00 75.22 C ATOM 1928 C ILE A 123 -8.431 -2.489 33.593 1.00 32.42 C ATOM 1929 O ILE A 123 -7.625 -3.152 34.240 1.00 53.34 O ATOM 1930 CB ILE A 123 -9.042 -3.816 31.570 1.00 72.24 C ATOM 1931 CG1 ILE A 123 -8.524 -2.776 30.563 1.00 71.30 C ATOM 1932 CG2 ILE A 123 -10.143 -4.701 30.950 1.00 21.34 C ATOM 1933 CD1 ILE A 123 -8.067 -3.340 29.215 1.00 14.12 C ATOM 0 H ILE A 123 -10.944 -2.142 31.682 1.00 34.50 H new ATOM 0 HA ILE A 123 -9.927 -3.977 33.507 1.00 75.22 H new ATOM 0 HB ILE A 123 -8.183 -4.436 31.826 1.00 72.24 H new ATOM 0 HG12 ILE A 123 -9.312 -2.045 30.384 1.00 71.30 H new ATOM 0 HG13 ILE A 123 -7.689 -2.241 31.016 1.00 71.30 H new ATOM 0 HG21 ILE A 123 -9.771 -5.154 30.031 1.00 21.34 H new ATOM 0 HG22 ILE A 123 -10.420 -5.485 31.655 1.00 21.34 H new ATOM 0 HG23 ILE A 123 -11.017 -4.090 30.725 1.00 21.34 H new ATOM 0 HD11 ILE A 123 -7.721 -2.526 28.578 1.00 14.12 H new ATOM 0 HD12 ILE A 123 -7.253 -4.048 29.374 1.00 14.12 H new ATOM 0 HD13 ILE A 123 -8.901 -3.849 28.732 1.00 14.12 H new ATOM 1945 N HIS A 124 -8.361 -1.138 33.559 1.00 50.30 N ATOM 1946 CA HIS A 124 -7.428 -0.357 34.351 1.00 5.23 C ATOM 1947 C HIS A 124 -7.717 -0.489 35.851 1.00 42.31 C ATOM 1948 O HIS A 124 -6.808 -0.422 36.678 1.00 54.51 O ATOM 1949 CB HIS A 124 -7.455 1.148 33.968 1.00 50.20 C ATOM 1950 CG HIS A 124 -6.219 1.899 34.394 1.00 61.21 C ATOM 1951 ND1 HIS A 124 -5.745 1.927 35.676 1.00 3.15 N ATOM 1952 CD2 HIS A 124 -5.293 2.510 33.623 1.00 53.02 C ATOM 1953 CE1 HIS A 124 -4.569 2.527 35.684 1.00 64.05 C ATOM 1954 NE2 HIS A 124 -4.271 2.886 34.449 1.00 2.24 N ATOM 0 H HIS A 124 -8.966 -0.568 32.968 1.00 50.30 H new ATOM 0 HA HIS A 124 -6.438 -0.759 34.134 1.00 5.23 H new ATOM 0 HB2 HIS A 124 -7.571 1.238 32.888 1.00 50.20 H new ATOM 0 HB3 HIS A 124 -8.329 1.615 34.422 1.00 50.20 H new ATOM 0 HD2 HIS A 124 -5.350 2.671 32.557 1.00 53.02 H new ATOM 0 HE1 HIS A 124 -3.954 2.696 36.555 1.00 64.05 H new ATOM 0 HE2 HIS A 124 -3.418 3.365 34.159 1.00 2.24 H new ATOM 1963 N LYS A 125 -9.012 -0.591 36.245 1.00 75.41 N ATOM 1964 CA LYS A 125 -9.431 -0.618 37.641 1.00 14.01 C ATOM 1965 C LYS A 125 -9.168 -1.971 38.303 1.00 54.23 C ATOM 1966 O LYS A 125 -9.040 -2.081 39.522 1.00 12.22 O ATOM 1967 CB LYS A 125 -10.935 -0.222 37.775 1.00 73.51 C ATOM 1968 CG LYS A 125 -11.991 -1.348 37.807 1.00 23.45 C ATOM 1969 CD LYS A 125 -13.427 -0.883 37.491 1.00 74.13 C ATOM 1970 CE LYS A 125 -13.925 0.309 38.307 1.00 42.35 C ATOM 1971 NZ LYS A 125 -15.330 0.590 37.950 1.00 24.43 N ATOM 0 H LYS A 125 -9.788 -0.656 35.587 1.00 75.41 H new ATOM 0 HA LYS A 125 -8.825 0.119 38.169 1.00 14.01 H new ATOM 0 HB2 LYS A 125 -11.044 0.362 38.689 1.00 73.51 H new ATOM 0 HB3 LYS A 125 -11.180 0.439 36.943 1.00 73.51 H new ATOM 0 HG2 LYS A 125 -11.705 -2.118 37.090 1.00 23.45 H new ATOM 0 HG3 LYS A 125 -11.981 -1.811 38.794 1.00 23.45 H new ATOM 0 HD2 LYS A 125 -13.483 -0.626 36.433 1.00 74.13 H new ATOM 0 HD3 LYS A 125 -14.106 -1.721 37.652 1.00 74.13 H new ATOM 0 HE2 LYS A 125 -13.844 0.094 39.373 1.00 42.35 H new ATOM 0 HE3 LYS A 125 -13.305 1.184 38.110 1.00 42.35 H new ATOM 0 HZ1 LYS A 125 -15.590 1.540 38.284 1.00 24.43 H new ATOM 0 HZ2 LYS A 125 -15.442 0.543 36.917 1.00 24.43 H new ATOM 0 HZ3 LYS A 125 -15.950 -0.115 38.397 1.00 24.43 H new ATOM 1985 N LEU A 126 -9.111 -3.037 37.476 1.00 14.15 N ATOM 1986 CA LEU A 126 -8.948 -4.431 37.844 1.00 15.41 C ATOM 1987 C LEU A 126 -7.588 -4.782 38.423 1.00 61.23 C ATOM 1988 O LEU A 126 -6.565 -4.154 38.165 1.00 30.13 O ATOM 1989 CB LEU A 126 -9.231 -5.362 36.632 1.00 22.35 C ATOM 1990 CG LEU A 126 -10.698 -5.314 36.149 1.00 42.03 C ATOM 1991 CD1 LEU A 126 -10.857 -5.884 34.733 1.00 70.44 C ATOM 1992 CD2 LEU A 126 -11.649 -6.039 37.112 1.00 63.25 C ATOM 0 H LEU A 126 -9.184 -2.921 36.465 1.00 14.15 H new ATOM 0 HA LEU A 126 -9.679 -4.590 38.637 1.00 15.41 H new ATOM 0 HB2 LEU A 126 -8.576 -5.082 35.807 1.00 22.35 H new ATOM 0 HB3 LEU A 126 -8.980 -6.387 36.904 1.00 22.35 H new ATOM 0 HG LEU A 126 -10.971 -4.259 36.128 1.00 42.03 H new ATOM 0 HD11 LEU A 126 -11.904 -5.830 34.435 1.00 70.44 H new ATOM 0 HD12 LEU A 126 -10.251 -5.304 34.037 1.00 70.44 H new ATOM 0 HD13 LEU A 126 -10.529 -6.923 34.720 1.00 70.44 H new ATOM 0 HD21 LEU A 126 -12.668 -5.979 36.731 1.00 63.25 H new ATOM 0 HD22 LEU A 126 -11.354 -7.085 37.196 1.00 63.25 H new ATOM 0 HD23 LEU A 126 -11.600 -5.569 38.094 1.00 63.25 H new ATOM 2004 N ASP A 127 -7.569 -5.846 39.258 1.00 73.24 N ATOM 2005 CA ASP A 127 -6.392 -6.314 39.963 1.00 63.44 C ATOM 2006 C ASP A 127 -5.556 -7.268 39.103 1.00 3.33 C ATOM 2007 O ASP A 127 -4.523 -7.761 39.548 1.00 3.34 O ATOM 2008 CB ASP A 127 -6.853 -6.978 41.297 1.00 72.52 C ATOM 2009 CG ASP A 127 -5.706 -7.275 42.265 1.00 34.31 C ATOM 2010 OD1 ASP A 127 -5.552 -8.466 42.641 1.00 20.32 O ATOM 2011 OD2 ASP A 127 -5.012 -6.305 42.663 1.00 21.50 O ATOM 0 H ASP A 127 -8.400 -6.404 39.453 1.00 73.24 H new ATOM 0 HA ASP A 127 -5.739 -5.471 40.187 1.00 63.44 H new ATOM 0 HB2 ASP A 127 -7.572 -6.323 41.789 1.00 72.52 H new ATOM 0 HB3 ASP A 127 -7.374 -7.908 41.069 1.00 72.52 H new ATOM 2016 N TRP A 128 -5.980 -7.545 37.851 1.00 33.24 N ATOM 2017 CA TRP A 128 -5.242 -8.383 36.922 1.00 34.12 C ATOM 2018 C TRP A 128 -5.127 -7.619 35.618 1.00 75.10 C ATOM 2019 O TRP A 128 -5.946 -6.747 35.332 1.00 13.15 O ATOM 2020 CB TRP A 128 -5.923 -9.765 36.668 1.00 13.44 C ATOM 2021 CG TRP A 128 -7.285 -9.665 36.010 1.00 65.11 C ATOM 2022 CD1 TRP A 128 -8.438 -9.216 36.574 1.00 73.02 C ATOM 2023 CD2 TRP A 128 -7.561 -9.875 34.614 1.00 4.23 C ATOM 2024 NE1 TRP A 128 -9.412 -9.068 35.614 1.00 64.15 N ATOM 2025 CE2 TRP A 128 -8.895 -9.472 34.399 1.00 12.55 C ATOM 2026 CE3 TRP A 128 -6.770 -10.343 33.568 1.00 54.42 C ATOM 2027 CZ2 TRP A 128 -9.455 -9.511 33.126 1.00 63.32 C ATOM 2028 CZ3 TRP A 128 -7.351 -10.428 32.295 1.00 53.50 C ATOM 2029 CH2 TRP A 128 -8.667 -9.998 32.072 1.00 23.55 C ATOM 0 H TRP A 128 -6.853 -7.183 37.468 1.00 33.24 H new ATOM 0 HA TRP A 128 -4.265 -8.603 37.353 1.00 34.12 H new ATOM 0 HB2 TRP A 128 -5.270 -10.371 36.040 1.00 13.44 H new ATOM 0 HB3 TRP A 128 -6.027 -10.288 37.618 1.00 13.44 H new ATOM 0 HD1 TRP A 128 -8.570 -9.006 37.625 1.00 73.02 H new ATOM 0 HE1 TRP A 128 -10.357 -8.719 35.773 1.00 64.15 H new ATOM 0 HE3 TRP A 128 -5.742 -10.631 33.732 1.00 54.42 H new ATOM 0 HZ2 TRP A 128 -10.467 -9.176 32.954 1.00 63.32 H new ATOM 0 HZ3 TRP A 128 -6.777 -10.831 31.474 1.00 53.50 H new ATOM 0 HH2 TRP A 128 -9.080 -10.042 31.075 1.00 23.55 H new ATOM 2040 N ALA A 129 -4.102 -7.927 34.797 1.00 72.52 N ATOM 2041 CA ALA A 129 -3.897 -7.260 33.533 1.00 24.15 C ATOM 2042 C ALA A 129 -4.092 -8.224 32.366 1.00 44.13 C ATOM 2043 O ALA A 129 -3.348 -9.203 32.283 1.00 5.03 O ATOM 2044 CB ALA A 129 -2.480 -6.665 33.467 1.00 64.14 C ATOM 0 H ALA A 129 -3.407 -8.644 35.007 1.00 72.52 H new ATOM 0 HA ALA A 129 -4.634 -6.460 33.456 1.00 24.15 H new ATOM 0 HB1 ALA A 129 -2.340 -6.165 32.509 1.00 64.14 H new ATOM 0 HB2 ALA A 129 -2.350 -5.944 34.274 1.00 64.14 H new ATOM 0 HB3 ALA A 129 -1.745 -7.463 33.571 1.00 64.14 H new ATOM 2050 N PRO A 130 -5.026 -8.032 31.428 1.00 5.02 N ATOM 2051 CA PRO A 130 -4.924 -8.613 30.088 1.00 41.52 C ATOM 2052 C PRO A 130 -3.802 -7.918 29.331 1.00 13.35 C ATOM 2053 O PRO A 130 -3.495 -6.756 29.596 1.00 63.24 O ATOM 2054 CB PRO A 130 -6.298 -8.313 29.471 1.00 35.42 C ATOM 2055 CG PRO A 130 -6.748 -7.017 30.150 1.00 30.24 C ATOM 2056 CD PRO A 130 -6.182 -7.136 31.564 1.00 63.23 C ATOM 0 HA PRO A 130 -4.694 -9.678 30.072 1.00 41.52 H new ATOM 0 HB2 PRO A 130 -6.230 -8.192 28.390 1.00 35.42 H new ATOM 0 HB3 PRO A 130 -7.002 -9.124 29.657 1.00 35.42 H new ATOM 0 HG2 PRO A 130 -6.359 -6.139 29.635 1.00 30.24 H new ATOM 0 HG3 PRO A 130 -7.834 -6.926 30.159 1.00 30.24 H new ATOM 0 HD2 PRO A 130 -5.885 -6.163 31.955 1.00 63.23 H new ATOM 0 HD3 PRO A 130 -6.921 -7.545 32.253 1.00 63.23 H new ATOM 2064 N THR A 131 -3.163 -8.618 28.374 1.00 44.23 N ATOM 2065 CA THR A 131 -2.152 -8.040 27.505 1.00 32.42 C ATOM 2066 C THR A 131 -2.888 -7.421 26.335 1.00 62.22 C ATOM 2067 O THR A 131 -4.075 -7.681 26.134 1.00 70.42 O ATOM 2068 CB THR A 131 -1.102 -9.039 26.995 1.00 65.15 C ATOM 2069 OG1 THR A 131 -1.566 -9.960 26.013 1.00 5.42 O ATOM 2070 CG2 THR A 131 -0.672 -9.911 28.184 1.00 43.31 C ATOM 0 H THR A 131 -3.344 -9.605 28.191 1.00 44.23 H new ATOM 0 HA THR A 131 -1.584 -7.311 28.083 1.00 32.42 H new ATOM 0 HB THR A 131 -0.316 -8.431 26.546 1.00 65.15 H new ATOM 0 HG1 THR A 131 -0.832 -10.553 25.748 1.00 5.42 H new ATOM 0 HG21 THR A 131 0.075 -10.633 27.854 1.00 43.31 H new ATOM 0 HG22 THR A 131 -0.247 -9.279 28.964 1.00 43.31 H new ATOM 0 HG23 THR A 131 -1.539 -10.441 28.579 1.00 43.31 H new ATOM 2078 N LEU A 132 -2.216 -6.610 25.489 1.00 74.03 N ATOM 2079 CA LEU A 132 -2.857 -6.021 24.325 1.00 60.11 C ATOM 2080 C LEU A 132 -3.337 -7.058 23.323 1.00 32.33 C ATOM 2081 O LEU A 132 -4.342 -6.843 22.658 1.00 14.05 O ATOM 2082 CB LEU A 132 -1.969 -4.976 23.590 1.00 20.12 C ATOM 2083 CG LEU A 132 -1.759 -3.625 24.327 1.00 52.24 C ATOM 2084 CD1 LEU A 132 -3.091 -2.929 24.663 1.00 2.12 C ATOM 2085 CD2 LEU A 132 -0.856 -3.707 25.570 1.00 64.04 C ATOM 0 H LEU A 132 -1.234 -6.358 25.602 1.00 74.03 H new ATOM 0 HA LEU A 132 -3.723 -5.503 24.737 1.00 60.11 H new ATOM 0 HB2 LEU A 132 -0.992 -5.423 23.407 1.00 20.12 H new ATOM 0 HB3 LEU A 132 -2.414 -4.771 22.616 1.00 20.12 H new ATOM 0 HG LEU A 132 -1.219 -3.010 23.607 1.00 52.24 H new ATOM 0 HD11 LEU A 132 -2.891 -1.989 25.177 1.00 2.12 H new ATOM 0 HD12 LEU A 132 -3.639 -2.729 23.742 1.00 2.12 H new ATOM 0 HD13 LEU A 132 -3.687 -3.575 25.307 1.00 2.12 H new ATOM 0 HD21 LEU A 132 -0.766 -2.718 26.020 1.00 64.04 H new ATOM 0 HD22 LEU A 132 -1.293 -4.396 26.293 1.00 64.04 H new ATOM 0 HD23 LEU A 132 0.132 -4.065 25.279 1.00 64.04 H new ATOM 2097 N ASP A 133 -2.685 -8.242 23.229 1.00 1.33 N ATOM 2098 CA ASP A 133 -3.131 -9.318 22.355 1.00 52.40 C ATOM 2099 C ASP A 133 -4.534 -9.811 22.716 1.00 71.41 C ATOM 2100 O ASP A 133 -5.348 -10.062 21.840 1.00 25.41 O ATOM 2101 CB ASP A 133 -2.159 -10.526 22.418 1.00 74.41 C ATOM 2102 CG ASP A 133 -0.809 -10.158 21.823 1.00 3.51 C ATOM 2103 OD1 ASP A 133 0.189 -10.193 22.590 1.00 34.54 O ATOM 2104 OD2 ASP A 133 -0.761 -9.848 20.606 1.00 34.43 O ATOM 0 H ASP A 133 -1.842 -8.463 23.759 1.00 1.33 H new ATOM 0 HA ASP A 133 -3.149 -8.902 21.348 1.00 52.40 H new ATOM 0 HB2 ASP A 133 -2.032 -10.844 23.453 1.00 74.41 H new ATOM 0 HB3 ASP A 133 -2.584 -11.370 21.875 1.00 74.41 H new ATOM 2109 N VAL A 134 -4.835 -9.935 24.023 1.00 41.04 N ATOM 2110 CA VAL A 134 -6.076 -10.466 24.575 1.00 71.33 C ATOM 2111 C VAL A 134 -7.096 -9.397 24.871 1.00 2.04 C ATOM 2112 O VAL A 134 -8.262 -9.559 24.505 1.00 71.01 O ATOM 2113 CB VAL A 134 -5.868 -11.401 25.760 1.00 63.22 C ATOM 2114 CG1 VAL A 134 -4.768 -10.916 26.681 1.00 13.52 C ATOM 2115 CG2 VAL A 134 -7.158 -11.778 26.521 1.00 32.04 C ATOM 0 H VAL A 134 -4.180 -9.650 24.751 1.00 41.04 H new ATOM 0 HA VAL A 134 -6.492 -11.082 23.778 1.00 71.33 H new ATOM 0 HB VAL A 134 -5.534 -12.340 25.320 1.00 63.22 H new ATOM 0 HG11 VAL A 134 -4.655 -11.613 27.511 1.00 13.52 H new ATOM 0 HG12 VAL A 134 -3.831 -10.855 26.128 1.00 13.52 H new ATOM 0 HG13 VAL A 134 -5.026 -9.930 27.068 1.00 13.52 H new ATOM 0 HG21 VAL A 134 -6.911 -12.445 27.347 1.00 32.04 H new ATOM 0 HG22 VAL A 134 -7.627 -10.875 26.912 1.00 32.04 H new ATOM 0 HG23 VAL A 134 -7.847 -12.280 25.842 1.00 32.04 H new ATOM 2125 N ALA A 135 -6.706 -8.252 25.492 1.00 71.04 N ATOM 2126 CA ALA A 135 -7.648 -7.195 25.819 1.00 10.44 C ATOM 2127 C ALA A 135 -8.267 -6.578 24.593 1.00 54.45 C ATOM 2128 O ALA A 135 -9.484 -6.446 24.493 1.00 2.13 O ATOM 2129 CB ALA A 135 -7.000 -6.060 26.644 1.00 55.44 C ATOM 0 H ALA A 135 -5.744 -8.056 25.768 1.00 71.04 H new ATOM 0 HA ALA A 135 -8.419 -7.685 26.413 1.00 10.44 H new ATOM 0 HB1 ALA A 135 -7.747 -5.296 26.861 1.00 55.44 H new ATOM 0 HB2 ALA A 135 -6.613 -6.465 27.579 1.00 55.44 H new ATOM 0 HB3 ALA A 135 -6.183 -5.617 26.074 1.00 55.44 H new ATOM 2135 N VAL A 136 -7.435 -6.236 23.585 1.00 11.22 N ATOM 2136 CA VAL A 136 -7.976 -5.738 22.345 1.00 51.32 C ATOM 2137 C VAL A 136 -8.517 -6.882 21.546 1.00 43.15 C ATOM 2138 O VAL A 136 -9.492 -6.732 20.818 1.00 61.40 O ATOM 2139 CB VAL A 136 -7.032 -4.914 21.497 1.00 53.42 C ATOM 2140 CG1 VAL A 136 -6.125 -4.056 22.402 1.00 73.14 C ATOM 2141 CG2 VAL A 136 -6.311 -5.633 20.347 1.00 4.45 C ATOM 0 H VAL A 136 -6.418 -6.300 23.621 1.00 11.22 H new ATOM 0 HA VAL A 136 -8.763 -5.041 22.634 1.00 51.32 H new ATOM 0 HB VAL A 136 -7.666 -4.247 20.914 1.00 53.42 H new ATOM 0 HG11 VAL A 136 -5.448 -3.466 21.784 1.00 73.14 H new ATOM 0 HG12 VAL A 136 -6.740 -3.389 23.006 1.00 73.14 H new ATOM 0 HG13 VAL A 136 -5.545 -4.706 23.057 1.00 73.14 H new ATOM 0 HG21 VAL A 136 -5.667 -4.926 19.823 1.00 4.45 H new ATOM 0 HG22 VAL A 136 -5.706 -6.446 20.749 1.00 4.45 H new ATOM 0 HG23 VAL A 136 -7.047 -6.038 19.652 1.00 4.45 H new ATOM 2151 N GLY A 137 -7.886 -8.073 21.652 1.00 21.13 N ATOM 2152 CA GLY A 137 -8.252 -9.193 20.804 1.00 0.40 C ATOM 2153 C GLY A 137 -9.661 -9.670 20.994 1.00 65.13 C ATOM 2154 O GLY A 137 -10.341 -9.947 20.013 1.00 13.35 O ATOM 0 H GLY A 137 -7.133 -8.267 22.312 1.00 21.13 H new ATOM 0 HA2 GLY A 137 -8.115 -8.906 19.762 1.00 0.40 H new ATOM 0 HA3 GLY A 137 -7.570 -10.021 20.999 1.00 0.40 H new ATOM 2158 N GLU A 138 -10.164 -9.750 22.251 1.00 64.02 N ATOM 2159 CA GLU A 138 -11.563 -10.078 22.487 1.00 51.45 C ATOM 2160 C GLU A 138 -12.537 -9.038 21.939 1.00 63.14 C ATOM 2161 O GLU A 138 -13.588 -9.391 21.404 1.00 44.31 O ATOM 2162 CB GLU A 138 -11.896 -10.326 23.977 1.00 45.01 C ATOM 2163 CG GLU A 138 -11.058 -11.496 24.530 1.00 34.51 C ATOM 2164 CD GLU A 138 -11.721 -12.187 25.711 1.00 70.42 C ATOM 2165 OE1 GLU A 138 -11.191 -12.065 26.841 1.00 22.40 O ATOM 2166 OE2 GLU A 138 -12.713 -12.916 25.458 1.00 1.13 O ATOM 0 H GLU A 138 -9.617 -9.591 23.097 1.00 64.02 H new ATOM 0 HA GLU A 138 -11.697 -11.009 21.935 1.00 51.45 H new ATOM 0 HB2 GLU A 138 -11.697 -9.424 24.555 1.00 45.01 H new ATOM 0 HB3 GLU A 138 -12.958 -10.548 24.087 1.00 45.01 H new ATOM 0 HG2 GLU A 138 -10.890 -12.224 23.736 1.00 34.51 H new ATOM 0 HG3 GLU A 138 -10.080 -11.124 24.834 1.00 34.51 H new ATOM 2173 N LEU A 139 -12.194 -7.730 22.040 1.00 1.23 N ATOM 2174 CA LEU A 139 -12.953 -6.632 21.474 1.00 44.03 C ATOM 2175 C LEU A 139 -13.014 -6.677 19.999 1.00 5.44 C ATOM 2176 O LEU A 139 -14.080 -6.590 19.392 1.00 64.14 O ATOM 2177 CB LEU A 139 -12.297 -5.254 21.702 1.00 20.42 C ATOM 2178 CG LEU A 139 -12.418 -4.678 23.089 1.00 71.50 C ATOM 2179 CD1 LEU A 139 -11.571 -3.397 23.165 1.00 54.32 C ATOM 2180 CD2 LEU A 139 -13.897 -4.355 23.292 1.00 65.10 C ATOM 0 H LEU A 139 -11.357 -7.422 22.534 1.00 1.23 H new ATOM 0 HA LEU A 139 -13.920 -6.744 21.965 1.00 44.03 H new ATOM 0 HB2 LEU A 139 -11.238 -5.334 21.456 1.00 20.42 H new ATOM 0 HB3 LEU A 139 -12.735 -4.546 20.998 1.00 20.42 H new ATOM 0 HG LEU A 139 -12.067 -5.367 23.857 1.00 71.50 H new ATOM 0 HD11 LEU A 139 -11.649 -2.968 24.164 1.00 54.32 H new ATOM 0 HD12 LEU A 139 -10.529 -3.637 22.953 1.00 54.32 H new ATOM 0 HD13 LEU A 139 -11.934 -2.677 22.432 1.00 54.32 H new ATOM 0 HD21 LEU A 139 -14.044 -3.932 24.286 1.00 65.10 H new ATOM 0 HD22 LEU A 139 -14.219 -3.634 22.540 1.00 65.10 H new ATOM 0 HD23 LEU A 139 -14.485 -5.267 23.195 1.00 65.10 H new ATOM 2192 N LEU A 140 -11.817 -6.807 19.403 1.00 21.23 N ATOM 2193 CA LEU A 140 -11.715 -6.807 17.976 1.00 63.14 C ATOM 2194 C LEU A 140 -12.341 -8.062 17.381 1.00 1.13 C ATOM 2195 O LEU A 140 -13.073 -8.001 16.398 1.00 10.44 O ATOM 2196 CB LEU A 140 -10.258 -6.622 17.484 1.00 21.50 C ATOM 2197 CG LEU A 140 -9.591 -5.256 17.798 1.00 54.35 C ATOM 2198 CD1 LEU A 140 -8.269 -5.130 17.015 1.00 11.42 C ATOM 2199 CD2 LEU A 140 -10.470 -4.002 17.663 1.00 31.53 C ATOM 0 H LEU A 140 -10.932 -6.911 19.899 1.00 21.23 H new ATOM 0 HA LEU A 140 -12.277 -5.943 17.621 1.00 63.14 H new ATOM 0 HB2 LEU A 140 -9.646 -7.410 17.924 1.00 21.50 H new ATOM 0 HB3 LEU A 140 -10.241 -6.770 16.404 1.00 21.50 H new ATOM 0 HG LEU A 140 -9.398 -5.279 18.870 1.00 54.35 H new ATOM 0 HD11 LEU A 140 -7.804 -4.170 17.238 1.00 11.42 H new ATOM 0 HD12 LEU A 140 -7.595 -5.936 17.306 1.00 11.42 H new ATOM 0 HD13 LEU A 140 -8.472 -5.195 15.946 1.00 11.42 H new ATOM 0 HD21 LEU A 140 -9.883 -3.118 17.910 1.00 31.53 H new ATOM 0 HD22 LEU A 140 -10.834 -3.921 16.639 1.00 31.53 H new ATOM 0 HD23 LEU A 140 -11.318 -4.077 18.344 1.00 31.53 H new ATOM 2211 N ALA A 141 -12.136 -9.245 18.004 1.00 50.45 N ATOM 2212 CA ALA A 141 -12.784 -10.461 17.577 1.00 5.01 C ATOM 2213 C ALA A 141 -14.301 -10.424 17.663 1.00 44.41 C ATOM 2214 O ALA A 141 -14.973 -10.981 16.804 1.00 11.10 O ATOM 2215 CB ALA A 141 -12.281 -11.668 18.389 1.00 2.12 C ATOM 0 H ALA A 141 -11.519 -9.361 18.808 1.00 50.45 H new ATOM 0 HA ALA A 141 -12.518 -10.560 16.525 1.00 5.01 H new ATOM 0 HB1 ALA A 141 -12.785 -12.572 18.047 1.00 2.12 H new ATOM 0 HB2 ALA A 141 -11.206 -11.778 18.250 1.00 2.12 H new ATOM 0 HB3 ALA A 141 -12.496 -11.510 19.446 1.00 2.12 H new ATOM 2221 N ASP A 142 -14.889 -9.793 18.701 1.00 11.11 N ATOM 2222 CA ASP A 142 -16.327 -9.732 18.861 1.00 40.41 C ATOM 2223 C ASP A 142 -16.925 -8.448 18.273 1.00 12.03 C ATOM 2224 O ASP A 142 -18.007 -8.035 18.684 1.00 12.04 O ATOM 2225 CB ASP A 142 -16.655 -9.889 20.375 1.00 31.43 C ATOM 2226 CG ASP A 142 -18.123 -10.201 20.664 1.00 2.30 C ATOM 2227 OD1 ASP A 142 -18.724 -9.487 21.507 1.00 62.33 O ATOM 2228 OD2 ASP A 142 -18.632 -11.192 20.078 1.00 20.54 O ATOM 0 H ASP A 142 -14.369 -9.319 19.439 1.00 11.11 H new ATOM 0 HA ASP A 142 -16.787 -10.546 18.300 1.00 40.41 H new ATOM 0 HB2 ASP A 142 -16.037 -10.685 20.790 1.00 31.43 H new ATOM 0 HB3 ASP A 142 -16.381 -8.970 20.893 1.00 31.43 H new ATOM 2233 N THR A 143 -16.274 -7.758 17.302 1.00 51.12 N ATOM 2234 CA THR A 143 -16.879 -6.548 16.720 1.00 25.42 C ATOM 2235 C THR A 143 -18.186 -6.821 15.917 1.00 3.33 C ATOM 2236 O THR A 143 -18.234 -7.827 15.152 1.00 0.00 O ATOM 2237 CB THR A 143 -15.927 -5.715 15.854 1.00 41.12 C ATOM 2238 OG1 THR A 143 -16.502 -4.450 15.557 1.00 41.14 O ATOM 2239 CG2 THR A 143 -15.567 -6.381 14.522 1.00 0.01 C ATOM 2240 OXT THR A 143 -19.158 -6.036 16.087 1.00 0.00 O ATOM 0 H THR A 143 -15.363 -8.012 16.921 1.00 51.12 H new ATOM 0 HA THR A 143 -17.128 -5.962 17.605 1.00 25.42 H new ATOM 0 HB THR A 143 -15.017 -5.614 16.445 1.00 41.12 H new ATOM 0 HG1 THR A 143 -15.881 -3.930 15.005 1.00 41.14 H new ATOM 0 HG21 THR A 143 -14.891 -5.734 13.963 1.00 0.01 H new ATOM 0 HG22 THR A 143 -15.080 -7.337 14.713 1.00 0.01 H new ATOM 0 HG23 THR A 143 -16.474 -6.546 13.941 1.00 0.01 H new TER 2248 THR A 143