USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 938 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 75 ASN : amide:sc= -0.526 X(o=-3.7,f=-3.4!) USER MOD Set 1.2: A 92 ASN : amide:sc= -3.15! K(o=-3.7!,f=-0.37) USER MOD Set 2.1: A 44 MET CE :methyl 135:sc= -2.97! (180deg=-2.89!) USER MOD Set 2.2: A 57 TYR OH : rot 165:sc= -0.36 USER MOD Set 3.1: A 12 THR OG1 : rot 180:sc= -0.405 USER MOD Set 3.2: A 37 GLN : amide:sc= 0.868 K(o=0.46,f=-0.44) USER MOD Set 4.1: A 31 ASN : amide:sc= -0.402 K(o=0.054,f=-1.9) USER MOD Set 4.2: A 33 SER OG : rot 91:sc= 0.457 USER MOD Set 5.1: A 14 ASN : amide:sc= 0.847 K(o=1.4,f=-0.44) USER MOD Set 5.2: A 16 CYS SG : rot 180:sc= 0 USER MOD Set 5.3: A 32 THR OG1 : rot -109:sc= 0.599 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -166:sc= -0.0213 (180deg=-0.245) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.171 X(o=-0.17,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.0088) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.0484 X(o=-0.048,f=-0.38) USER MOD Single : A 9 SER OG : rot 180:sc= -0.107 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.0026) USER MOD Single : A 11 MET CE :methyl 138:sc= -0.749 (180deg=-2.89!) USER MOD Single : A 25 LYS NZ :NH3+ 145:sc= 0.958 (180deg=0.5) USER MOD Single : A 30 LYS NZ :NH3+ -114:sc= 0.838 (180deg=-0.249) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 39 MET CE :methyl 150:sc= 0 (180deg=-2.08) USER MOD Single : A 47 LYS NZ :NH3+ 170:sc= -0.0151 (180deg=-0.163) USER MOD Single : A 51 THR OG1 : rot 52:sc= -0.224 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 39:sc= -0.569 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.211 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 130:sc= -0.0929 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -1.41 K(o=-1.4,f=0) USER MOD Single : A 68 THR OG1 : rot -90:sc= -0.306 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot -150:sc= -0.0017 USER MOD Single : A 81 SER OG : rot -116:sc= 1.11 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.419 K(o=-0.42,f=-3.8!) USER MOD Single : A 91 GLN : amide:sc= 0.966 K(o=0.97,f=-12!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.537 USER MOD Single : A 101 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00479) USER MOD Single : A 105 LYS NZ :NH3+ -140:sc= 1.1 (180deg=-0.232) USER MOD Single : A 106 ASN : amide:sc= -2.37! C(o=-2.4!,f=-7.5!) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= 0.621 K(o=0.62,f=-0.0099) USER MOD Single : A 114 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 THR OG1 : rot 3:sc= -2.17! USER MOD Single : A 120 LYS NZ :NH3+ 161:sc= -0.0358 (180deg=-0.338) USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 THR OG1 : rot 39:sc= 0.629 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -28.187 -10.322 -29.078 1.00 61.13 N ATOM 2 CA MET A 1 -28.295 -10.589 -27.616 1.00 5.22 C ATOM 3 C MET A 1 -27.190 -11.545 -27.139 1.00 41.03 C ATOM 4 O MET A 1 -27.024 -12.639 -27.681 1.00 52.05 O ATOM 5 CB MET A 1 -29.677 -11.178 -27.287 1.00 55.22 C ATOM 6 CG MET A 1 -30.832 -10.241 -27.610 1.00 21.42 C ATOM 7 SD MET A 1 -32.441 -10.961 -27.233 1.00 12.22 S ATOM 8 CE MET A 1 -33.527 -9.619 -27.712 1.00 14.13 C ATOM 0 H1 MET A 1 -28.782 -9.506 -29.327 1.00 61.13 H new ATOM 0 H2 MET A 1 -27.197 -10.116 -29.321 1.00 61.13 H new ATOM 0 H3 MET A 1 -28.507 -11.158 -29.608 1.00 61.13 H new ATOM 0 HA MET A 1 -28.172 -9.641 -27.092 1.00 5.22 H new ATOM 0 HB2 MET A 1 -29.808 -12.107 -27.842 1.00 55.22 H new ATOM 0 HB3 MET A 1 -29.712 -11.432 -26.228 1.00 55.22 H new ATOM 0 HG2 MET A 1 -30.712 -9.316 -27.046 1.00 21.42 H new ATOM 0 HG3 MET A 1 -30.796 -9.977 -28.667 1.00 21.42 H new ATOM 0 HE1 MET A 1 -34.563 -9.910 -27.539 1.00 14.13 H new ATOM 0 HE2 MET A 1 -33.295 -8.734 -27.120 1.00 14.13 H new ATOM 0 HE3 MET A 1 -33.385 -9.396 -28.769 1.00 14.13 H new ATOM 20 N GLY A 2 -26.434 -11.123 -26.128 1.00 40.40 N ATOM 21 CA GLY A 2 -25.351 -11.948 -25.602 1.00 11.32 C ATOM 22 C GLY A 2 -24.648 -11.328 -24.397 1.00 61.42 C ATOM 23 O GLY A 2 -23.419 -11.304 -24.328 1.00 72.33 O ATOM 0 H GLY A 2 -26.550 -10.224 -25.661 1.00 40.40 H new ATOM 0 HA2 GLY A 2 -25.750 -12.922 -25.319 1.00 11.32 H new ATOM 0 HA3 GLY A 2 -24.619 -12.121 -26.391 1.00 11.32 H new ATOM 27 N HIS A 3 -25.426 -10.821 -23.442 1.00 12.15 N ATOM 28 CA HIS A 3 -24.865 -10.273 -22.201 1.00 72.43 C ATOM 29 C HIS A 3 -24.908 -11.323 -21.079 1.00 70.21 C ATOM 30 O HIS A 3 -25.927 -11.486 -20.407 1.00 75.12 O ATOM 31 CB HIS A 3 -25.630 -9.013 -21.771 1.00 43.12 C ATOM 32 CG HIS A 3 -25.577 -7.903 -22.775 1.00 70.32 C ATOM 33 ND1 HIS A 3 -26.643 -7.554 -23.575 1.00 12.52 N ATOM 34 CD2 HIS A 3 -24.579 -7.049 -23.098 1.00 30.31 C ATOM 35 CE1 HIS A 3 -26.305 -6.541 -24.345 1.00 14.20 C ATOM 36 NE2 HIS A 3 -25.059 -6.216 -24.077 1.00 53.24 N ATOM 0 H HIS A 3 -26.443 -10.777 -23.500 1.00 12.15 H new ATOM 0 HA HIS A 3 -23.826 -10.003 -22.389 1.00 72.43 H new ATOM 0 HB2 HIS A 3 -26.672 -9.276 -21.589 1.00 43.12 H new ATOM 0 HB3 HIS A 3 -25.221 -8.656 -20.826 1.00 43.12 H new ATOM 0 HD2 HIS A 3 -23.589 -7.027 -22.666 1.00 30.31 H new ATOM 0 HE1 HIS A 3 -26.942 -6.059 -25.072 1.00 14.20 H new ATOM 0 HE2 HIS A 3 -24.534 -5.465 -24.525 1.00 53.24 H new ATOM 45 N HIS A 4 -23.806 -12.040 -20.889 1.00 23.50 N ATOM 46 CA HIS A 4 -23.753 -13.136 -19.914 1.00 61.13 C ATOM 47 C HIS A 4 -23.615 -12.615 -18.475 1.00 12.25 C ATOM 48 O HIS A 4 -22.819 -11.718 -18.193 1.00 13.21 O ATOM 49 CB HIS A 4 -22.597 -14.087 -20.249 1.00 21.35 C ATOM 50 CG HIS A 4 -22.750 -14.772 -21.575 1.00 34.10 C ATOM 51 ND1 HIS A 4 -22.857 -16.138 -21.710 1.00 14.23 N ATOM 52 CD2 HIS A 4 -22.811 -14.272 -22.831 1.00 20.42 C ATOM 53 CE1 HIS A 4 -22.979 -16.446 -22.984 1.00 20.03 C ATOM 54 NE2 HIS A 4 -22.953 -15.333 -23.688 1.00 54.25 N ATOM 0 H HIS A 4 -22.934 -11.886 -21.395 1.00 23.50 H new ATOM 0 HA HIS A 4 -24.696 -13.680 -19.977 1.00 61.13 H new ATOM 0 HB2 HIS A 4 -21.663 -13.526 -20.245 1.00 21.35 H new ATOM 0 HB3 HIS A 4 -22.519 -14.841 -19.466 1.00 21.35 H new ATOM 0 HD2 HIS A 4 -22.758 -13.229 -23.107 1.00 20.42 H new ATOM 0 HE1 HIS A 4 -23.083 -17.444 -23.385 1.00 20.03 H new ATOM 0 HE2 HIS A 4 -23.026 -15.271 -24.703 1.00 54.25 H new ATOM 63 N HIS A 5 -24.415 -13.180 -17.573 1.00 24.01 N ATOM 64 CA HIS A 5 -24.374 -12.834 -16.147 1.00 62.23 C ATOM 65 C HIS A 5 -24.152 -14.095 -15.296 1.00 44.41 C ATOM 66 O HIS A 5 -24.806 -15.116 -15.513 1.00 63.33 O ATOM 67 CB HIS A 5 -25.683 -12.148 -15.735 1.00 12.43 C ATOM 68 CG HIS A 5 -26.032 -10.948 -16.568 1.00 43.43 C ATOM 69 ND1 HIS A 5 -27.239 -10.803 -17.220 1.00 63.21 N ATOM 70 CD2 HIS A 5 -25.325 -9.825 -16.847 1.00 62.14 C ATOM 71 CE1 HIS A 5 -27.258 -9.652 -17.861 1.00 33.42 C ATOM 72 NE2 HIS A 5 -26.113 -9.039 -17.652 1.00 3.01 N ATOM 0 H HIS A 5 -25.110 -13.890 -17.806 1.00 24.01 H new ATOM 0 HA HIS A 5 -23.544 -12.148 -15.979 1.00 62.23 H new ATOM 0 HB2 HIS A 5 -26.496 -12.871 -15.799 1.00 12.43 H new ATOM 0 HB3 HIS A 5 -25.609 -11.844 -14.691 1.00 12.43 H new ATOM 0 HD2 HIS A 5 -24.329 -9.592 -16.501 1.00 62.14 H new ATOM 0 HE1 HIS A 5 -28.076 -9.275 -18.457 1.00 33.42 H new ATOM 0 HE2 HIS A 5 -25.852 -8.127 -18.027 1.00 3.01 H new ATOM 81 N HIS A 6 -23.240 -14.029 -14.327 1.00 20.14 N ATOM 82 CA HIS A 6 -22.915 -15.200 -13.505 1.00 55.41 C ATOM 83 C HIS A 6 -23.594 -15.119 -12.128 1.00 72.41 C ATOM 84 O HIS A 6 -24.628 -15.750 -11.897 1.00 31.02 O ATOM 85 CB HIS A 6 -21.394 -15.338 -13.340 1.00 43.41 C ATOM 86 CG HIS A 6 -20.640 -15.363 -14.635 1.00 75.11 C ATOM 87 ND1 HIS A 6 -19.664 -14.443 -14.953 1.00 21.41 N ATOM 88 CD2 HIS A 6 -20.714 -16.205 -15.694 1.00 44.41 C ATOM 89 CE1 HIS A 6 -19.176 -14.712 -16.147 1.00 11.13 C ATOM 90 NE2 HIS A 6 -19.794 -15.773 -16.618 1.00 21.35 N ATOM 0 H HIS A 6 -22.716 -13.186 -14.091 1.00 20.14 H new ATOM 0 HA HIS A 6 -23.294 -16.083 -14.019 1.00 55.41 H new ATOM 0 HB2 HIS A 6 -21.028 -14.509 -12.734 1.00 43.41 H new ATOM 0 HB3 HIS A 6 -21.180 -16.254 -12.789 1.00 43.41 H new ATOM 0 HD2 HIS A 6 -21.372 -17.055 -15.793 1.00 44.41 H new ATOM 0 HE1 HIS A 6 -18.401 -14.156 -16.653 1.00 11.13 H new ATOM 0 HE2 HIS A 6 -19.618 -16.206 -17.525 1.00 21.35 H new ATOM 99 N HIS A 7 -23.018 -14.323 -11.221 1.00 4.23 N ATOM 100 CA HIS A 7 -23.548 -14.187 -9.857 1.00 22.41 C ATOM 101 C HIS A 7 -22.846 -13.049 -9.099 1.00 14.04 C ATOM 102 O HIS A 7 -21.785 -12.579 -9.509 1.00 5.43 O ATOM 103 CB HIS A 7 -23.374 -15.501 -9.079 1.00 1.44 C ATOM 104 CG HIS A 7 -21.949 -15.814 -8.721 1.00 51.15 C ATOM 105 ND1 HIS A 7 -21.511 -15.926 -7.418 1.00 11.23 N ATOM 106 CD2 HIS A 7 -20.860 -16.038 -9.497 1.00 45.43 C ATOM 107 CE1 HIS A 7 -20.221 -16.198 -7.406 1.00 32.41 C ATOM 108 NE2 HIS A 7 -19.805 -16.272 -8.653 1.00 23.34 N ATOM 0 H HIS A 7 -22.186 -13.763 -11.405 1.00 4.23 H new ATOM 0 HA HIS A 7 -24.609 -13.951 -9.938 1.00 22.41 H new ATOM 0 HB2 HIS A 7 -23.965 -15.451 -8.165 1.00 1.44 H new ATOM 0 HB3 HIS A 7 -23.777 -16.320 -9.675 1.00 1.44 H new ATOM 0 HD2 HIS A 7 -20.829 -16.033 -10.577 1.00 45.43 H new ATOM 0 HE1 HIS A 7 -19.611 -16.336 -6.526 1.00 32.41 H new ATOM 0 HE2 HIS A 7 -18.848 -16.472 -8.945 1.00 23.34 H new ATOM 117 N HIS A 8 -23.438 -12.622 -7.988 1.00 55.10 N ATOM 118 CA HIS A 8 -22.811 -11.622 -7.112 1.00 54.40 C ATOM 119 C HIS A 8 -22.257 -12.287 -5.841 1.00 0.24 C ATOM 120 O HIS A 8 -22.791 -13.294 -5.374 1.00 45.14 O ATOM 121 CB HIS A 8 -23.812 -10.511 -6.755 1.00 3.23 C ATOM 122 CG HIS A 8 -25.089 -11.007 -6.138 1.00 33.05 C ATOM 123 ND1 HIS A 8 -25.186 -11.426 -4.829 1.00 64.04 N ATOM 124 CD2 HIS A 8 -26.331 -11.150 -6.664 1.00 42.44 C ATOM 125 CE1 HIS A 8 -26.423 -11.803 -4.578 1.00 4.24 C ATOM 126 NE2 HIS A 8 -27.140 -11.646 -5.672 1.00 22.43 N ATOM 0 H HIS A 8 -24.350 -12.949 -7.668 1.00 55.10 H new ATOM 0 HA HIS A 8 -21.978 -11.169 -7.649 1.00 54.40 H new ATOM 0 HB2 HIS A 8 -23.335 -9.815 -6.065 1.00 3.23 H new ATOM 0 HB3 HIS A 8 -24.052 -9.950 -7.658 1.00 3.23 H new ATOM 0 HD2 HIS A 8 -26.628 -10.917 -7.676 1.00 42.44 H new ATOM 0 HE1 HIS A 8 -26.788 -12.178 -3.633 1.00 4.24 H new ATOM 0 HE2 HIS A 8 -28.133 -11.858 -5.766 1.00 22.43 H new ATOM 135 N SER A 9 -21.185 -11.729 -5.283 1.00 1.54 N ATOM 136 CA SER A 9 -20.527 -12.328 -4.111 1.00 3.33 C ATOM 137 C SER A 9 -19.878 -11.256 -3.223 1.00 22.42 C ATOM 138 O SER A 9 -19.747 -10.098 -3.623 1.00 64.13 O ATOM 139 CB SER A 9 -19.464 -13.343 -4.563 1.00 30.35 C ATOM 140 OG SER A 9 -18.890 -14.031 -3.460 1.00 30.51 O ATOM 0 H SER A 9 -20.751 -10.868 -5.617 1.00 1.54 H new ATOM 0 HA SER A 9 -21.291 -12.838 -3.524 1.00 3.33 H new ATOM 0 HB2 SER A 9 -19.916 -14.063 -5.246 1.00 30.35 H new ATOM 0 HB3 SER A 9 -18.680 -12.826 -5.117 1.00 30.35 H new ATOM 0 HG SER A 9 -18.220 -14.669 -3.785 1.00 30.51 H new ATOM 146 N HIS A 10 -19.458 -11.650 -2.024 1.00 54.31 N ATOM 147 CA HIS A 10 -18.876 -10.714 -1.054 1.00 65.11 C ATOM 148 C HIS A 10 -17.354 -10.891 -0.938 1.00 21.14 C ATOM 149 O HIS A 10 -16.853 -12.010 -0.828 1.00 51.34 O ATOM 150 CB HIS A 10 -19.532 -10.908 0.317 1.00 33.44 C ATOM 151 CG HIS A 10 -20.994 -10.585 0.327 1.00 33.00 C ATOM 152 ND1 HIS A 10 -21.499 -9.406 0.834 1.00 64.24 N ATOM 153 CD2 HIS A 10 -22.065 -11.287 -0.117 1.00 13.23 C ATOM 154 CE1 HIS A 10 -22.811 -9.397 0.701 1.00 64.32 C ATOM 155 NE2 HIS A 10 -23.179 -10.523 0.128 1.00 23.51 N ATOM 0 H HIS A 10 -19.508 -12.614 -1.696 1.00 54.31 H new ATOM 0 HA HIS A 10 -19.067 -9.702 -1.410 1.00 65.11 H new ATOM 0 HB2 HIS A 10 -19.393 -11.941 0.635 1.00 33.44 H new ATOM 0 HB3 HIS A 10 -19.023 -10.279 1.047 1.00 33.44 H new ATOM 0 HD2 HIS A 10 -22.046 -12.264 -0.577 1.00 13.23 H new ATOM 0 HE1 HIS A 10 -23.472 -8.600 1.010 1.00 64.32 H new ATOM 0 HE2 HIS A 10 -24.138 -10.786 -0.098 1.00 23.51 H new ATOM 164 N MET A 11 -16.624 -9.777 -0.950 1.00 35.22 N ATOM 165 CA MET A 11 -15.158 -9.807 -0.870 1.00 25.25 C ATOM 166 C MET A 11 -14.680 -9.821 0.592 1.00 73.41 C ATOM 167 O MET A 11 -14.788 -8.817 1.301 1.00 2.03 O ATOM 168 CB MET A 11 -14.563 -8.597 -1.606 1.00 41.15 C ATOM 169 CG MET A 11 -14.903 -8.525 -3.096 1.00 20.02 C ATOM 170 SD MET A 11 -14.129 -9.830 -4.082 1.00 24.23 S ATOM 171 CE MET A 11 -15.279 -11.193 -3.888 1.00 73.35 C ATOM 0 H MET A 11 -17.021 -8.840 -1.014 1.00 35.22 H new ATOM 0 HA MET A 11 -14.813 -10.724 -1.348 1.00 25.25 H new ATOM 0 HB2 MET A 11 -14.915 -7.686 -1.122 1.00 41.15 H new ATOM 0 HB3 MET A 11 -13.479 -8.619 -1.495 1.00 41.15 H new ATOM 0 HG2 MET A 11 -15.985 -8.584 -3.216 1.00 20.02 H new ATOM 0 HG3 MET A 11 -14.592 -7.555 -3.484 1.00 20.02 H new ATOM 0 HE1 MET A 11 -15.417 -11.692 -4.847 1.00 73.35 H new ATOM 0 HE2 MET A 11 -14.882 -11.903 -3.163 1.00 73.35 H new ATOM 0 HE3 MET A 11 -16.238 -10.813 -3.536 1.00 73.35 H new ATOM 181 N THR A 12 -14.162 -10.963 1.041 1.00 74.15 N ATOM 182 CA THR A 12 -13.645 -11.100 2.412 1.00 5.23 C ATOM 183 C THR A 12 -12.145 -10.767 2.489 1.00 51.04 C ATOM 184 O THR A 12 -11.529 -10.872 3.552 1.00 3.21 O ATOM 185 CB THR A 12 -13.873 -12.532 2.958 1.00 14.10 C ATOM 186 OG1 THR A 12 -13.191 -13.488 2.131 1.00 12.11 O ATOM 187 CG2 THR A 12 -15.363 -12.870 3.005 1.00 54.34 C ATOM 0 H THR A 12 -14.087 -11.811 0.479 1.00 74.15 H new ATOM 0 HA THR A 12 -14.197 -10.388 3.025 1.00 5.23 H new ATOM 0 HB THR A 12 -13.475 -12.574 3.972 1.00 14.10 H new ATOM 0 HG1 THR A 12 -13.339 -14.390 2.484 1.00 12.11 H new ATOM 0 HG21 THR A 12 -15.495 -13.880 3.392 1.00 54.34 H new ATOM 0 HG22 THR A 12 -15.876 -12.162 3.656 1.00 54.34 H new ATOM 0 HG23 THR A 12 -15.782 -12.809 2.001 1.00 54.34 H new ATOM 195 N GLY A 13 -11.572 -10.352 1.357 1.00 53.22 N ATOM 196 CA GLY A 13 -10.153 -10.007 1.301 1.00 64.23 C ATOM 197 C GLY A 13 -9.832 -8.659 1.946 1.00 54.21 C ATOM 198 O GLY A 13 -9.719 -7.641 1.262 1.00 65.11 O ATOM 0 H GLY A 13 -12.068 -10.248 0.472 1.00 53.22 H new ATOM 0 HA2 GLY A 13 -9.577 -10.787 1.799 1.00 64.23 H new ATOM 0 HA3 GLY A 13 -9.831 -9.989 0.260 1.00 64.23 H new ATOM 202 N ASN A 14 -9.690 -8.656 3.266 1.00 54.14 N ATOM 203 CA ASN A 14 -9.344 -7.445 4.016 1.00 11.25 C ATOM 204 C ASN A 14 -7.819 -7.230 4.056 1.00 40.10 C ATOM 205 O ASN A 14 -7.117 -7.789 4.905 1.00 41.51 O ATOM 206 CB ASN A 14 -9.910 -7.528 5.439 1.00 22.42 C ATOM 207 CG ASN A 14 -9.654 -6.266 6.246 1.00 41.54 C ATOM 208 OD1 ASN A 14 -10.465 -5.348 6.264 1.00 22.54 O ATOM 209 ND2 ASN A 14 -8.522 -6.204 6.913 1.00 22.21 N ATOM 0 H ASN A 14 -9.810 -9.485 3.848 1.00 54.14 H new ATOM 0 HA ASN A 14 -9.788 -6.590 3.506 1.00 11.25 H new ATOM 0 HB2 ASN A 14 -10.983 -7.711 5.389 1.00 22.42 H new ATOM 0 HB3 ASN A 14 -9.465 -8.380 5.953 1.00 22.42 H new ATOM 0 HD21 ASN A 14 -8.300 -5.375 7.465 1.00 22.21 H new ATOM 0 HD22 ASN A 14 -7.866 -6.985 6.879 1.00 22.21 H new ATOM 216 N VAL A 15 -7.312 -6.433 3.119 1.00 13.14 N ATOM 217 CA VAL A 15 -5.883 -6.110 3.058 1.00 4.44 C ATOM 218 C VAL A 15 -5.611 -4.688 3.584 1.00 25.14 C ATOM 219 O VAL A 15 -6.239 -3.724 3.149 1.00 35.21 O ATOM 220 CB VAL A 15 -5.347 -6.233 1.608 1.00 43.41 C ATOM 221 CG1 VAL A 15 -3.839 -5.990 1.558 1.00 13.42 C ATOM 222 CG2 VAL A 15 -5.697 -7.597 1.017 1.00 33.12 C ATOM 0 H VAL A 15 -7.870 -5.995 2.386 1.00 13.14 H new ATOM 0 HA VAL A 15 -5.363 -6.827 3.693 1.00 4.44 H new ATOM 0 HB VAL A 15 -5.830 -5.465 1.004 1.00 43.41 H new ATOM 0 HG11 VAL A 15 -3.489 -6.082 0.530 1.00 13.42 H new ATOM 0 HG12 VAL A 15 -3.619 -4.988 1.927 1.00 13.42 H new ATOM 0 HG13 VAL A 15 -3.331 -6.726 2.181 1.00 13.42 H new ATOM 0 HG21 VAL A 15 -5.312 -7.662 -0.001 1.00 33.12 H new ATOM 0 HG22 VAL A 15 -5.250 -8.383 1.626 1.00 33.12 H new ATOM 0 HG23 VAL A 15 -6.780 -7.721 1.004 1.00 33.12 H new ATOM 232 N CYS A 16 -4.668 -4.561 4.514 1.00 2.31 N ATOM 233 CA CYS A 16 -4.338 -3.258 5.116 1.00 44.01 C ATOM 234 C CYS A 16 -2.821 -3.033 5.170 1.00 20.24 C ATOM 235 O CYS A 16 -2.045 -3.984 5.191 1.00 22.42 O ATOM 236 CB CYS A 16 -4.925 -3.159 6.529 1.00 5.21 C ATOM 237 SG CYS A 16 -4.276 -4.384 7.691 1.00 34.23 S ATOM 0 H CYS A 16 -4.115 -5.340 4.872 1.00 2.31 H new ATOM 0 HA CYS A 16 -4.777 -2.484 4.486 1.00 44.01 H new ATOM 0 HB2 CYS A 16 -4.728 -2.162 6.923 1.00 5.21 H new ATOM 0 HB3 CYS A 16 -6.008 -3.270 6.469 1.00 5.21 H new ATOM 0 HG CYS A 16 -4.831 -4.216 8.854 1.00 34.23 H new ATOM 243 N ILE A 17 -2.404 -1.768 5.202 1.00 50.11 N ATOM 244 CA ILE A 17 -0.977 -1.417 5.227 1.00 60.34 C ATOM 245 C ILE A 17 -0.270 -1.939 6.490 1.00 54.32 C ATOM 246 O ILE A 17 -0.641 -1.589 7.612 1.00 53.20 O ATOM 247 CB ILE A 17 -0.778 0.116 5.132 1.00 12.30 C ATOM 248 CG1 ILE A 17 -1.359 0.645 3.811 1.00 52.03 C ATOM 249 CG2 ILE A 17 0.704 0.486 5.256 1.00 72.44 C ATOM 250 CD1 ILE A 17 -1.260 2.146 3.651 1.00 50.00 C ATOM 0 H ILE A 17 -3.032 -0.965 5.211 1.00 50.11 H new ATOM 0 HA ILE A 17 -0.529 -1.899 4.358 1.00 60.34 H new ATOM 0 HB ILE A 17 -1.310 0.583 5.961 1.00 12.30 H new ATOM 0 HG12 ILE A 17 -0.840 0.167 2.981 1.00 52.03 H new ATOM 0 HG13 ILE A 17 -2.407 0.351 3.744 1.00 52.03 H new ATOM 0 HG21 ILE A 17 0.816 1.568 5.186 1.00 72.44 H new ATOM 0 HG22 ILE A 17 1.085 0.143 6.218 1.00 72.44 H new ATOM 0 HG23 ILE A 17 1.266 0.010 4.452 1.00 72.44 H new ATOM 0 HD11 ILE A 17 -1.692 2.439 2.694 1.00 50.00 H new ATOM 0 HD12 ILE A 17 -1.804 2.635 4.459 1.00 50.00 H new ATOM 0 HD13 ILE A 17 -0.213 2.447 3.684 1.00 50.00 H new ATOM 262 N GLU A 18 0.753 -2.771 6.292 1.00 3.34 N ATOM 263 CA GLU A 18 1.571 -3.271 7.398 1.00 54.40 C ATOM 264 C GLU A 18 2.393 -2.127 8.000 1.00 71.24 C ATOM 265 O GLU A 18 2.325 -1.864 9.201 1.00 61.54 O ATOM 266 CB GLU A 18 2.499 -4.392 6.904 1.00 4.21 C ATOM 267 CG GLU A 18 3.400 -4.967 7.991 1.00 42.43 C ATOM 268 CD GLU A 18 4.334 -6.052 7.474 1.00 1.14 C ATOM 269 OE1 GLU A 18 5.452 -5.724 7.027 1.00 21.45 O ATOM 270 OE2 GLU A 18 3.952 -7.241 7.513 1.00 40.00 O ATOM 0 H GLU A 18 1.036 -3.114 5.374 1.00 3.34 H new ATOM 0 HA GLU A 18 0.915 -3.676 8.169 1.00 54.40 H new ATOM 0 HB2 GLU A 18 1.893 -5.195 6.485 1.00 4.21 H new ATOM 0 HB3 GLU A 18 3.121 -4.007 6.096 1.00 4.21 H new ATOM 0 HG2 GLU A 18 3.992 -4.163 8.428 1.00 42.43 H new ATOM 0 HG3 GLU A 18 2.781 -5.377 8.789 1.00 42.43 H new ATOM 277 N GLU A 19 3.169 -1.458 7.142 1.00 4.30 N ATOM 278 CA GLU A 19 3.913 -0.250 7.515 1.00 5.22 C ATOM 279 C GLU A 19 4.741 0.265 6.320 1.00 60.31 C ATOM 280 O GLU A 19 4.997 -0.468 5.361 1.00 4.42 O ATOM 281 CB GLU A 19 4.818 -0.512 8.736 1.00 35.43 C ATOM 282 CG GLU A 19 5.401 0.754 9.364 1.00 1.23 C ATOM 283 CD GLU A 19 5.889 0.528 10.788 1.00 70.33 C ATOM 284 OE1 GLU A 19 6.919 -0.149 10.969 1.00 75.22 O ATOM 285 OE2 GLU A 19 5.227 1.009 11.736 1.00 53.31 O ATOM 0 H GLU A 19 3.299 -1.738 6.170 1.00 4.30 H new ATOM 0 HA GLU A 19 3.193 0.520 7.792 1.00 5.22 H new ATOM 0 HB2 GLU A 19 4.244 -1.048 9.492 1.00 35.43 H new ATOM 0 HB3 GLU A 19 5.637 -1.165 8.434 1.00 35.43 H new ATOM 0 HG2 GLU A 19 6.229 1.111 8.752 1.00 1.23 H new ATOM 0 HG3 GLU A 19 4.644 1.538 9.363 1.00 1.23 H new ATOM 292 N ILE A 20 5.134 1.535 6.375 1.00 51.41 N ATOM 293 CA ILE A 20 5.887 2.173 5.289 1.00 60.41 C ATOM 294 C ILE A 20 7.405 2.127 5.554 1.00 11.31 C ATOM 295 O ILE A 20 7.839 2.056 6.707 1.00 43.14 O ATOM 296 CB ILE A 20 5.435 3.650 5.114 1.00 4.41 C ATOM 297 CG1 ILE A 20 3.914 3.715 4.881 1.00 44.32 C ATOM 298 CG2 ILE A 20 6.189 4.329 3.969 1.00 34.34 C ATOM 299 CD1 ILE A 20 3.368 5.123 4.734 1.00 11.42 C ATOM 0 H ILE A 20 4.943 2.150 7.166 1.00 51.41 H new ATOM 0 HA ILE A 20 5.680 1.617 4.374 1.00 60.41 H new ATOM 0 HB ILE A 20 5.672 4.190 6.030 1.00 4.41 H new ATOM 0 HG12 ILE A 20 3.671 3.147 3.983 1.00 44.32 H new ATOM 0 HG13 ILE A 20 3.409 3.226 5.714 1.00 44.32 H new ATOM 0 HG21 ILE A 20 5.851 5.361 3.872 1.00 34.34 H new ATOM 0 HG22 ILE A 20 7.258 4.316 4.179 1.00 34.34 H new ATOM 0 HG23 ILE A 20 5.996 3.795 3.039 1.00 34.34 H new ATOM 0 HD11 ILE A 20 2.291 5.081 4.573 1.00 11.42 H new ATOM 0 HD12 ILE A 20 3.577 5.691 5.641 1.00 11.42 H new ATOM 0 HD13 ILE A 20 3.843 5.610 3.883 1.00 11.42 H new ATOM 311 N ASP A 21 8.206 2.155 4.485 1.00 32.23 N ATOM 312 CA ASP A 21 9.669 2.177 4.609 1.00 24.21 C ATOM 313 C ASP A 21 10.153 3.411 5.396 1.00 40.22 C ATOM 314 O ASP A 21 9.548 4.483 5.335 1.00 63.33 O ATOM 315 CB ASP A 21 10.313 2.143 3.217 1.00 1.34 C ATOM 316 CG ASP A 21 11.826 2.262 3.271 1.00 61.43 C ATOM 317 OD1 ASP A 21 12.470 1.444 3.956 1.00 12.41 O ATOM 318 OD2 ASP A 21 12.377 3.183 2.634 1.00 43.52 O ATOM 0 H ASP A 21 7.867 2.163 3.523 1.00 32.23 H new ATOM 0 HA ASP A 21 9.974 1.292 5.167 1.00 24.21 H new ATOM 0 HB2 ASP A 21 10.043 1.212 2.718 1.00 1.34 H new ATOM 0 HB3 ASP A 21 9.909 2.956 2.614 1.00 1.34 H new ATOM 323 N VAL A 22 11.254 3.245 6.128 1.00 2.33 N ATOM 324 CA VAL A 22 11.804 4.315 6.968 1.00 11.25 C ATOM 325 C VAL A 22 12.349 5.487 6.127 1.00 43.01 C ATOM 326 O VAL A 22 12.380 6.630 6.585 1.00 54.11 O ATOM 327 CB VAL A 22 12.924 3.772 7.898 1.00 63.45 C ATOM 328 CG1 VAL A 22 14.090 3.209 7.085 1.00 14.14 C ATOM 329 CG2 VAL A 22 13.405 4.850 8.874 1.00 22.15 C ATOM 0 H VAL A 22 11.787 2.376 6.158 1.00 2.33 H new ATOM 0 HA VAL A 22 10.982 4.689 7.578 1.00 11.25 H new ATOM 0 HB VAL A 22 12.501 2.957 8.485 1.00 63.45 H new ATOM 0 HG11 VAL A 22 14.859 2.836 7.762 1.00 14.14 H new ATOM 0 HG12 VAL A 22 13.734 2.393 6.455 1.00 14.14 H new ATOM 0 HG13 VAL A 22 14.509 3.995 6.457 1.00 14.14 H new ATOM 0 HG21 VAL A 22 14.188 4.440 9.511 1.00 22.15 H new ATOM 0 HG22 VAL A 22 13.799 5.698 8.314 1.00 22.15 H new ATOM 0 HG23 VAL A 22 12.570 5.180 9.492 1.00 22.15 H new ATOM 339 N ASP A 23 12.789 5.198 4.903 1.00 64.00 N ATOM 340 CA ASP A 23 13.291 6.234 3.989 1.00 43.12 C ATOM 341 C ASP A 23 12.168 6.739 3.061 1.00 53.43 C ATOM 342 O ASP A 23 12.122 7.923 2.706 1.00 13.03 O ATOM 343 CB ASP A 23 14.466 5.675 3.173 1.00 54.52 C ATOM 344 CG ASP A 23 15.143 6.723 2.303 1.00 32.55 C ATOM 345 OD1 ASP A 23 15.872 7.576 2.850 1.00 21.23 O ATOM 346 OD2 ASP A 23 14.984 6.672 1.064 1.00 35.43 O ATOM 0 H ASP A 23 12.810 4.254 4.517 1.00 64.00 H new ATOM 0 HA ASP A 23 13.640 7.084 4.575 1.00 43.12 H new ATOM 0 HB2 ASP A 23 15.202 5.247 3.854 1.00 54.52 H new ATOM 0 HB3 ASP A 23 14.107 4.863 2.540 1.00 54.52 H new ATOM 351 N GLY A 24 11.264 5.832 2.682 1.00 21.15 N ATOM 352 CA GLY A 24 10.119 6.188 1.844 1.00 25.41 C ATOM 353 C GLY A 24 10.106 5.468 0.494 1.00 61.25 C ATOM 354 O GLY A 24 9.307 5.791 -0.381 1.00 71.03 O ATOM 0 H GLY A 24 11.304 4.847 2.943 1.00 21.15 H new ATOM 0 HA2 GLY A 24 9.199 5.955 2.380 1.00 25.41 H new ATOM 0 HA3 GLY A 24 10.124 7.265 1.673 1.00 25.41 H new ATOM 358 N LYS A 25 10.972 4.471 0.334 1.00 43.51 N ATOM 359 CA LYS A 25 11.130 3.780 -0.954 1.00 51.13 C ATOM 360 C LYS A 25 9.920 2.900 -1.324 1.00 61.21 C ATOM 361 O LYS A 25 9.659 2.669 -2.509 1.00 4.03 O ATOM 362 CB LYS A 25 12.404 2.923 -0.941 1.00 45.31 C ATOM 363 CG LYS A 25 13.687 3.723 -0.741 1.00 71.31 C ATOM 364 CD LYS A 25 14.926 2.837 -0.861 1.00 15.12 C ATOM 365 CE LYS A 25 16.218 3.633 -0.716 1.00 35.40 C ATOM 366 NZ LYS A 25 16.322 4.291 0.613 1.00 5.14 N ATOM 0 H LYS A 25 11.577 4.120 1.076 1.00 43.51 H new ATOM 0 HA LYS A 25 11.204 4.558 -1.714 1.00 51.13 H new ATOM 0 HB2 LYS A 25 12.323 2.181 -0.146 1.00 45.31 H new ATOM 0 HB3 LYS A 25 12.472 2.376 -1.882 1.00 45.31 H new ATOM 0 HG2 LYS A 25 13.737 4.522 -1.481 1.00 71.31 H new ATOM 0 HG3 LYS A 25 13.672 4.197 0.240 1.00 71.31 H new ATOM 0 HD2 LYS A 25 14.891 2.061 -0.096 1.00 15.12 H new ATOM 0 HD3 LYS A 25 14.918 2.333 -1.827 1.00 15.12 H new ATOM 0 HE2 LYS A 25 17.071 2.969 -0.859 1.00 35.40 H new ATOM 0 HE3 LYS A 25 16.268 4.389 -1.500 1.00 35.40 H new ATOM 0 HZ1 LYS A 25 17.316 4.297 0.920 1.00 5.14 H new ATOM 0 HZ2 LYS A 25 15.974 5.269 0.544 1.00 5.14 H new ATOM 0 HZ3 LYS A 25 15.749 3.768 1.305 1.00 5.14 H new ATOM 380 N PHE A 26 9.191 2.398 -0.325 1.00 34.41 N ATOM 381 CA PHE A 26 8.072 1.477 -0.585 1.00 25.21 C ATOM 382 C PHE A 26 7.062 1.417 0.574 1.00 45.35 C ATOM 383 O PHE A 26 7.370 1.771 1.714 1.00 24.43 O ATOM 384 CB PHE A 26 8.611 0.068 -0.885 1.00 24.35 C ATOM 385 CG PHE A 26 9.525 -0.487 0.189 1.00 5.22 C ATOM 386 CD1 PHE A 26 9.010 -1.197 1.268 1.00 73.22 C ATOM 387 CD2 PHE A 26 10.901 -0.300 0.116 1.00 63.22 C ATOM 388 CE1 PHE A 26 9.846 -1.699 2.249 1.00 62.33 C ATOM 389 CE2 PHE A 26 11.737 -0.801 1.095 1.00 64.04 C ATOM 390 CZ PHE A 26 11.210 -1.502 2.162 1.00 14.45 C ATOM 0 H PHE A 26 9.349 2.607 0.661 1.00 34.41 H new ATOM 0 HA PHE A 26 7.537 1.866 -1.451 1.00 25.21 H new ATOM 0 HB2 PHE A 26 7.769 -0.611 -1.017 1.00 24.35 H new ATOM 0 HB3 PHE A 26 9.152 0.092 -1.831 1.00 24.35 H new ATOM 0 HD1 PHE A 26 7.945 -1.358 1.341 1.00 73.22 H new ATOM 0 HD2 PHE A 26 11.322 0.244 -0.717 1.00 63.22 H new ATOM 0 HE1 PHE A 26 9.432 -2.245 3.083 1.00 62.33 H new ATOM 0 HE2 PHE A 26 12.803 -0.644 1.026 1.00 64.04 H new ATOM 0 HZ PHE A 26 11.863 -1.895 2.927 1.00 14.45 H new ATOM 400 N ILE A 27 5.846 0.959 0.260 1.00 63.42 N ATOM 401 CA ILE A 27 4.779 0.773 1.257 1.00 50.41 C ATOM 402 C ILE A 27 4.240 -0.670 1.216 1.00 51.45 C ATOM 403 O ILE A 27 3.685 -1.097 0.207 1.00 22.33 O ATOM 404 CB ILE A 27 3.598 1.751 1.007 1.00 1.12 C ATOM 405 CG1 ILE A 27 4.091 3.209 1.005 1.00 11.25 C ATOM 406 CG2 ILE A 27 2.499 1.556 2.053 1.00 52.01 C ATOM 407 CD1 ILE A 27 3.010 4.229 0.702 1.00 34.12 C ATOM 0 H ILE A 27 5.571 0.706 -0.689 1.00 63.42 H new ATOM 0 HA ILE A 27 5.215 0.977 2.235 1.00 50.41 H new ATOM 0 HB ILE A 27 3.177 1.530 0.026 1.00 1.12 H new ATOM 0 HG12 ILE A 27 4.526 3.435 1.978 1.00 11.25 H new ATOM 0 HG13 ILE A 27 4.888 3.311 0.268 1.00 11.25 H new ATOM 0 HG21 ILE A 27 1.683 2.252 1.857 1.00 52.01 H new ATOM 0 HG22 ILE A 27 2.125 0.534 2.001 1.00 52.01 H new ATOM 0 HG23 ILE A 27 2.905 1.744 3.047 1.00 52.01 H new ATOM 0 HD11 ILE A 27 3.440 5.231 0.720 1.00 34.12 H new ATOM 0 HD12 ILE A 27 2.590 4.032 -0.284 1.00 34.12 H new ATOM 0 HD13 ILE A 27 2.223 4.158 1.452 1.00 34.12 H new ATOM 419 N ARG A 28 4.392 -1.421 2.308 1.00 65.42 N ATOM 420 CA ARG A 28 3.970 -2.832 2.330 1.00 14.11 C ATOM 421 C ARG A 28 2.588 -3.018 2.986 1.00 33.33 C ATOM 422 O ARG A 28 2.321 -2.484 4.064 1.00 73.04 O ATOM 423 CB ARG A 28 5.009 -3.692 3.063 1.00 33.11 C ATOM 424 CG ARG A 28 4.655 -5.179 3.093 1.00 14.14 C ATOM 425 CD ARG A 28 5.690 -6.008 3.846 1.00 31.33 C ATOM 426 NE ARG A 28 6.991 -6.031 3.179 1.00 11.11 N ATOM 427 CZ ARG A 28 7.613 -7.125 2.832 1.00 24.23 C ATOM 428 NH1 ARG A 28 7.057 -8.278 3.012 1.00 42.51 N ATOM 429 NH2 ARG A 28 8.784 -7.063 2.290 1.00 2.24 N ATOM 0 H ARG A 28 4.799 -1.086 3.181 1.00 65.42 H new ATOM 0 HA ARG A 28 3.892 -3.156 1.292 1.00 14.11 H new ATOM 0 HB2 ARG A 28 5.979 -3.567 2.581 1.00 33.11 H new ATOM 0 HB3 ARG A 28 5.113 -3.330 4.086 1.00 33.11 H new ATOM 0 HG2 ARG A 28 3.679 -5.308 3.562 1.00 14.14 H new ATOM 0 HG3 ARG A 28 4.570 -5.550 2.072 1.00 14.14 H new ATOM 0 HD2 ARG A 28 5.809 -5.605 4.852 1.00 31.33 H new ATOM 0 HD3 ARG A 28 5.323 -7.029 3.953 1.00 31.33 H new ATOM 0 HE ARG A 28 7.440 -5.139 2.972 1.00 11.11 H new ATOM 0 HH11 ARG A 28 6.127 -8.337 3.427 1.00 42.51 H new ATOM 0 HH12 ARG A 28 7.548 -9.129 2.739 1.00 42.51 H new ATOM 0 HH21 ARG A 28 9.226 -6.157 2.132 1.00 2.24 H new ATOM 0 HH22 ARG A 28 9.267 -7.920 2.020 1.00 2.24 H new ATOM 443 N LEU A 29 1.717 -3.790 2.327 1.00 5.11 N ATOM 444 CA LEU A 29 0.377 -4.106 2.854 1.00 52.35 C ATOM 445 C LEU A 29 0.277 -5.582 3.279 1.00 15.21 C ATOM 446 O LEU A 29 0.715 -6.477 2.556 1.00 20.30 O ATOM 447 CB LEU A 29 -0.717 -3.802 1.810 1.00 45.43 C ATOM 448 CG LEU A 29 -0.945 -2.313 1.482 1.00 24.32 C ATOM 449 CD1 LEU A 29 0.233 -1.728 0.708 1.00 51.45 C ATOM 450 CD2 LEU A 29 -2.251 -2.124 0.711 1.00 62.12 C ATOM 0 H LEU A 29 1.915 -4.212 1.420 1.00 5.11 H new ATOM 0 HA LEU A 29 0.222 -3.474 3.729 1.00 52.35 H new ATOM 0 HB2 LEU A 29 -0.464 -4.322 0.886 1.00 45.43 H new ATOM 0 HB3 LEU A 29 -1.657 -4.223 2.166 1.00 45.43 H new ATOM 0 HG LEU A 29 -1.022 -1.771 2.425 1.00 24.32 H new ATOM 0 HD11 LEU A 29 0.041 -0.677 0.492 1.00 51.45 H new ATOM 0 HD12 LEU A 29 1.140 -1.816 1.305 1.00 51.45 H new ATOM 0 HD13 LEU A 29 0.360 -2.273 -0.227 1.00 51.45 H new ATOM 0 HD21 LEU A 29 -2.393 -1.066 0.489 1.00 62.12 H new ATOM 0 HD22 LEU A 29 -2.208 -2.687 -0.221 1.00 62.12 H new ATOM 0 HD23 LEU A 29 -3.085 -2.483 1.314 1.00 62.12 H new ATOM 462 N LYS A 30 -0.300 -5.828 4.455 1.00 51.12 N ATOM 463 CA LYS A 30 -0.505 -7.194 4.959 1.00 61.03 C ATOM 464 C LYS A 30 -1.969 -7.637 4.806 1.00 24.41 C ATOM 465 O LYS A 30 -2.895 -6.878 5.105 1.00 34.10 O ATOM 466 CB LYS A 30 -0.098 -7.285 6.440 1.00 54.11 C ATOM 467 CG LYS A 30 -0.258 -8.684 7.039 1.00 72.41 C ATOM 468 CD LYS A 30 -0.032 -8.696 8.552 1.00 71.33 C ATOM 469 CE LYS A 30 1.401 -8.331 8.929 1.00 3.14 C ATOM 470 NZ LYS A 30 2.387 -9.347 8.472 1.00 33.30 N ATOM 0 H LYS A 30 -0.637 -5.098 5.082 1.00 51.12 H new ATOM 0 HA LYS A 30 0.122 -7.859 4.364 1.00 61.03 H new ATOM 0 HB2 LYS A 30 0.941 -6.973 6.541 1.00 54.11 H new ATOM 0 HB3 LYS A 30 -0.699 -6.582 7.016 1.00 54.11 H new ATOM 0 HG2 LYS A 30 -1.258 -9.059 6.820 1.00 72.41 H new ATOM 0 HG3 LYS A 30 0.448 -9.364 6.563 1.00 72.41 H new ATOM 0 HD2 LYS A 30 -0.719 -7.994 9.025 1.00 71.33 H new ATOM 0 HD3 LYS A 30 -0.267 -9.686 8.944 1.00 71.33 H new ATOM 0 HE2 LYS A 30 1.653 -7.364 8.494 1.00 3.14 H new ATOM 0 HE3 LYS A 30 1.472 -8.222 10.011 1.00 3.14 H new ATOM 0 HZ1 LYS A 30 2.820 -9.806 9.298 1.00 33.30 H new ATOM 0 HZ2 LYS A 30 1.905 -10.062 7.892 1.00 33.30 H new ATOM 0 HZ3 LYS A 30 3.126 -8.883 7.906 1.00 33.30 H new ATOM 484 N ASN A 31 -2.170 -8.871 4.346 1.00 22.14 N ATOM 485 CA ASN A 31 -3.510 -9.454 4.251 1.00 40.33 C ATOM 486 C ASN A 31 -3.950 -10.038 5.605 1.00 24.51 C ATOM 487 O ASN A 31 -3.447 -11.080 6.032 1.00 13.23 O ATOM 488 CB ASN A 31 -3.536 -10.546 3.176 1.00 74.14 C ATOM 489 CG ASN A 31 -4.903 -11.194 3.049 1.00 61.43 C ATOM 490 OD1 ASN A 31 -5.926 -10.562 3.277 1.00 23.13 O ATOM 491 ND2 ASN A 31 -4.933 -12.460 2.701 1.00 61.20 N ATOM 0 H ASN A 31 -1.421 -9.488 4.032 1.00 22.14 H new ATOM 0 HA ASN A 31 -4.207 -8.663 3.974 1.00 40.33 H new ATOM 0 HB2 ASN A 31 -3.249 -10.116 2.216 1.00 74.14 H new ATOM 0 HB3 ASN A 31 -2.795 -11.309 3.417 1.00 74.14 H new ATOM 0 HD21 ASN A 31 -5.827 -12.944 2.614 1.00 61.20 H new ATOM 0 HD22 ASN A 31 -4.063 -12.959 2.518 1.00 61.20 H new ATOM 498 N THR A 32 -4.888 -9.364 6.272 1.00 35.14 N ATOM 499 CA THR A 32 -5.370 -9.797 7.593 1.00 41.41 C ATOM 500 C THR A 32 -6.654 -10.633 7.486 1.00 54.11 C ATOM 501 O THR A 32 -7.367 -10.837 8.472 1.00 4.31 O ATOM 502 CB THR A 32 -5.629 -8.587 8.527 1.00 71.35 C ATOM 503 OG1 THR A 32 -6.623 -7.725 7.962 1.00 22.00 O ATOM 504 CG2 THR A 32 -4.346 -7.792 8.761 1.00 12.24 C ATOM 0 H THR A 32 -5.332 -8.515 5.922 1.00 35.14 H new ATOM 0 HA THR A 32 -4.581 -10.417 8.019 1.00 41.41 H new ATOM 0 HB THR A 32 -5.983 -8.974 9.482 1.00 71.35 H new ATOM 0 HG1 THR A 32 -6.202 -6.893 7.661 1.00 22.00 H new ATOM 0 HG21 THR A 32 -4.555 -6.949 9.419 1.00 12.24 H new ATOM 0 HG22 THR A 32 -3.598 -8.436 9.223 1.00 12.24 H new ATOM 0 HG23 THR A 32 -3.968 -7.423 7.808 1.00 12.24 H new ATOM 512 N SER A 33 -6.933 -11.134 6.284 1.00 70.20 N ATOM 513 CA SER A 33 -8.108 -11.987 6.042 1.00 40.12 C ATOM 514 C SER A 33 -7.956 -13.369 6.695 1.00 65.42 C ATOM 515 O SER A 33 -6.844 -13.818 6.985 1.00 52.12 O ATOM 516 CB SER A 33 -8.342 -12.165 4.535 1.00 4.21 C ATOM 517 OG SER A 33 -8.561 -10.920 3.897 1.00 51.31 O ATOM 0 H SER A 33 -6.362 -10.966 5.456 1.00 70.20 H new ATOM 0 HA SER A 33 -8.964 -11.485 6.493 1.00 40.12 H new ATOM 0 HB2 SER A 33 -7.480 -12.659 4.087 1.00 4.21 H new ATOM 0 HB3 SER A 33 -9.202 -12.815 4.373 1.00 4.21 H new ATOM 0 HG SER A 33 -7.706 -10.558 3.583 1.00 51.31 H new ATOM 523 N GLU A 34 -9.083 -14.046 6.909 1.00 2.24 N ATOM 524 CA GLU A 34 -9.088 -15.385 7.513 1.00 23.22 C ATOM 525 C GLU A 34 -8.624 -16.462 6.515 1.00 20.24 C ATOM 526 O GLU A 34 -8.104 -17.504 6.912 1.00 45.40 O ATOM 527 CB GLU A 34 -10.495 -15.717 8.027 1.00 52.43 C ATOM 528 CG GLU A 34 -10.985 -14.770 9.117 1.00 23.10 C ATOM 529 CD GLU A 34 -12.441 -15.001 9.483 1.00 22.21 C ATOM 530 OE1 GLU A 34 -12.720 -15.866 10.339 1.00 50.31 O ATOM 531 OE2 GLU A 34 -13.316 -14.320 8.909 1.00 24.12 O ATOM 0 H GLU A 34 -10.010 -13.691 6.673 1.00 2.24 H new ATOM 0 HA GLU A 34 -8.384 -15.380 8.345 1.00 23.22 H new ATOM 0 HB2 GLU A 34 -11.194 -15.689 7.191 1.00 52.43 H new ATOM 0 HB3 GLU A 34 -10.501 -16.736 8.413 1.00 52.43 H new ATOM 0 HG2 GLU A 34 -10.367 -14.895 10.006 1.00 23.10 H new ATOM 0 HG3 GLU A 34 -10.858 -13.740 8.782 1.00 23.10 H new ATOM 538 N GLN A 35 -8.810 -16.203 5.221 1.00 72.04 N ATOM 539 CA GLN A 35 -8.410 -17.153 4.174 1.00 23.31 C ATOM 540 C GLN A 35 -7.769 -16.420 2.982 1.00 2.33 C ATOM 541 O GLN A 35 -7.850 -15.194 2.878 1.00 21.24 O ATOM 542 CB GLN A 35 -9.626 -17.970 3.703 1.00 53.40 C ATOM 543 CG GLN A 35 -9.273 -19.152 2.799 1.00 31.02 C ATOM 544 CD GLN A 35 -10.495 -19.833 2.209 1.00 41.55 C ATOM 545 OE1 GLN A 35 -11.571 -19.827 2.796 1.00 42.41 O ATOM 546 NE2 GLN A 35 -10.340 -20.430 1.046 1.00 5.51 N ATOM 0 H GLN A 35 -9.235 -15.345 4.869 1.00 72.04 H new ATOM 0 HA GLN A 35 -7.669 -17.832 4.596 1.00 23.31 H new ATOM 0 HB2 GLN A 35 -10.161 -18.342 4.577 1.00 53.40 H new ATOM 0 HB3 GLN A 35 -10.309 -17.309 3.169 1.00 53.40 H new ATOM 0 HG2 GLN A 35 -8.631 -18.804 1.989 1.00 31.02 H new ATOM 0 HG3 GLN A 35 -8.698 -19.881 3.371 1.00 31.02 H new ATOM 0 HE21 GLN A 35 -9.431 -20.417 0.583 1.00 5.51 H new ATOM 0 HE22 GLN A 35 -11.129 -20.906 0.608 1.00 5.51 H new ATOM 555 N ASP A 36 -7.123 -17.175 2.098 1.00 2.02 N ATOM 556 CA ASP A 36 -6.492 -16.612 0.903 1.00 51.33 C ATOM 557 C ASP A 36 -7.547 -16.082 -0.088 1.00 62.43 C ATOM 558 O ASP A 36 -8.358 -16.849 -0.609 1.00 71.13 O ATOM 559 CB ASP A 36 -5.630 -17.682 0.223 1.00 11.30 C ATOM 560 CG ASP A 36 -4.746 -18.446 1.200 1.00 73.21 C ATOM 561 OD1 ASP A 36 -4.471 -17.929 2.303 1.00 65.24 O ATOM 562 OD2 ASP A 36 -4.321 -19.571 0.860 1.00 23.33 O ATOM 0 H ASP A 36 -7.021 -18.186 2.186 1.00 2.02 H new ATOM 0 HA ASP A 36 -5.865 -15.775 1.209 1.00 51.33 H new ATOM 0 HB2 ASP A 36 -6.279 -18.386 -0.298 1.00 11.30 H new ATOM 0 HB3 ASP A 36 -5.002 -17.209 -0.532 1.00 11.30 H new ATOM 567 N GLN A 37 -7.529 -14.776 -0.347 1.00 11.24 N ATOM 568 CA GLN A 37 -8.511 -14.139 -1.242 1.00 13.14 C ATOM 569 C GLN A 37 -7.832 -13.186 -2.242 1.00 60.40 C ATOM 570 O GLN A 37 -6.843 -12.531 -1.910 1.00 12.11 O ATOM 571 CB GLN A 37 -9.555 -13.363 -0.417 1.00 32.42 C ATOM 572 CG GLN A 37 -10.521 -14.248 0.369 1.00 70.32 C ATOM 573 CD GLN A 37 -11.475 -15.024 -0.528 1.00 72.40 C ATOM 574 OE1 GLN A 37 -12.564 -14.561 -0.853 1.00 34.02 O ATOM 575 NE2 GLN A 37 -11.080 -16.213 -0.932 1.00 2.23 N ATOM 0 H GLN A 37 -6.845 -14.131 0.049 1.00 11.24 H new ATOM 0 HA GLN A 37 -9.003 -14.930 -1.807 1.00 13.14 H new ATOM 0 HB2 GLN A 37 -9.035 -12.706 0.280 1.00 32.42 H new ATOM 0 HB3 GLN A 37 -10.130 -12.725 -1.088 1.00 32.42 H new ATOM 0 HG2 GLN A 37 -9.950 -14.950 0.977 1.00 70.32 H new ATOM 0 HG3 GLN A 37 -11.098 -13.628 1.055 1.00 70.32 H new ATOM 0 HE21 GLN A 37 -10.169 -16.572 -0.646 1.00 2.23 H new ATOM 0 HE22 GLN A 37 -11.685 -16.775 -1.531 1.00 2.23 H new ATOM 584 N PRO A 38 -8.342 -13.106 -3.492 1.00 4.23 N ATOM 585 CA PRO A 38 -7.841 -12.149 -4.497 1.00 33.21 C ATOM 586 C PRO A 38 -8.006 -10.683 -4.053 1.00 30.53 C ATOM 587 O PRO A 38 -8.963 -10.344 -3.359 1.00 72.15 O ATOM 588 CB PRO A 38 -8.701 -12.440 -5.742 1.00 10.25 C ATOM 589 CG PRO A 38 -9.245 -13.813 -5.519 1.00 75.14 C ATOM 590 CD PRO A 38 -9.428 -13.943 -4.031 1.00 51.44 C ATOM 0 HA PRO A 38 -6.771 -12.270 -4.669 1.00 33.21 H new ATOM 0 HB2 PRO A 38 -9.503 -11.709 -5.848 1.00 10.25 H new ATOM 0 HB3 PRO A 38 -8.105 -12.394 -6.654 1.00 10.25 H new ATOM 0 HG2 PRO A 38 -10.191 -13.949 -6.043 1.00 75.14 H new ATOM 0 HG3 PRO A 38 -8.560 -14.572 -5.897 1.00 75.14 H new ATOM 0 HD2 PRO A 38 -10.408 -13.588 -3.712 1.00 51.44 H new ATOM 0 HD3 PRO A 38 -9.341 -14.979 -3.702 1.00 51.44 H new ATOM 598 N MET A 39 -7.075 -9.821 -4.471 1.00 43.23 N ATOM 599 CA MET A 39 -7.067 -8.407 -4.051 1.00 33.12 C ATOM 600 C MET A 39 -8.405 -7.704 -4.350 1.00 1.25 C ATOM 601 O MET A 39 -8.992 -7.059 -3.481 1.00 43.53 O ATOM 602 CB MET A 39 -5.921 -7.661 -4.750 1.00 21.44 C ATOM 603 CG MET A 39 -5.631 -6.288 -4.158 1.00 44.31 C ATOM 604 SD MET A 39 -5.142 -6.386 -2.425 1.00 12.20 S ATOM 605 CE MET A 39 -4.849 -4.661 -2.042 1.00 42.43 C ATOM 0 H MET A 39 -6.314 -10.073 -5.101 1.00 43.23 H new ATOM 0 HA MET A 39 -6.919 -8.388 -2.971 1.00 33.12 H new ATOM 0 HB2 MET A 39 -5.018 -8.268 -4.695 1.00 21.44 H new ATOM 0 HB3 MET A 39 -6.165 -7.547 -5.806 1.00 21.44 H new ATOM 0 HG2 MET A 39 -4.839 -5.807 -4.731 1.00 44.31 H new ATOM 0 HG3 MET A 39 -6.517 -5.660 -4.249 1.00 44.31 H new ATOM 0 HE1 MET A 39 -5.064 -4.481 -0.989 1.00 42.43 H new ATOM 0 HE2 MET A 39 -3.807 -4.415 -2.247 1.00 42.43 H new ATOM 0 HE3 MET A 39 -5.497 -4.037 -2.657 1.00 42.43 H new ATOM 615 N GLY A 40 -8.876 -7.832 -5.587 1.00 64.44 N ATOM 616 CA GLY A 40 -10.143 -7.222 -5.976 1.00 65.32 C ATOM 617 C GLY A 40 -10.004 -5.762 -6.406 1.00 25.34 C ATOM 618 O GLY A 40 -9.257 -5.444 -7.335 1.00 34.25 O ATOM 0 H GLY A 40 -8.405 -8.347 -6.331 1.00 64.44 H new ATOM 0 HA2 GLY A 40 -10.578 -7.795 -6.795 1.00 65.32 H new ATOM 0 HA3 GLY A 40 -10.839 -7.283 -5.140 1.00 65.32 H new ATOM 622 N GLY A 41 -10.725 -4.869 -5.726 1.00 13.21 N ATOM 623 CA GLY A 41 -10.718 -3.452 -6.086 1.00 45.11 C ATOM 624 C GLY A 41 -10.340 -2.539 -4.922 1.00 65.42 C ATOM 625 O GLY A 41 -11.115 -2.363 -3.980 1.00 42.52 O ATOM 0 H GLY A 41 -11.317 -5.100 -4.928 1.00 13.21 H new ATOM 0 HA2 GLY A 41 -10.016 -3.295 -6.905 1.00 45.11 H new ATOM 0 HA3 GLY A 41 -11.705 -3.172 -6.454 1.00 45.11 H new ATOM 629 N TRP A 42 -9.143 -1.957 -4.993 1.00 40.24 N ATOM 630 CA TRP A 42 -8.653 -1.023 -3.968 1.00 55.11 C ATOM 631 C TRP A 42 -8.012 0.210 -4.625 1.00 63.13 C ATOM 632 O TRP A 42 -7.700 0.197 -5.818 1.00 41.11 O ATOM 633 CB TRP A 42 -7.615 -1.709 -3.062 1.00 2.34 C ATOM 634 CG TRP A 42 -8.142 -2.870 -2.266 1.00 3.44 C ATOM 635 CD1 TRP A 42 -8.434 -4.119 -2.730 1.00 41.54 C ATOM 636 CD2 TRP A 42 -8.412 -2.894 -0.859 1.00 3.23 C ATOM 637 NE1 TRP A 42 -8.880 -4.914 -1.704 1.00 51.34 N ATOM 638 CE2 TRP A 42 -8.873 -4.185 -0.542 1.00 43.34 C ATOM 639 CE3 TRP A 42 -8.309 -1.946 0.165 1.00 14.44 C ATOM 640 CZ2 TRP A 42 -9.229 -4.551 0.757 1.00 71.33 C ATOM 641 CZ3 TRP A 42 -8.660 -2.310 1.449 1.00 75.41 C ATOM 642 CH2 TRP A 42 -9.114 -3.602 1.737 1.00 12.52 C ATOM 0 H TRP A 42 -8.485 -2.116 -5.757 1.00 40.24 H new ATOM 0 HA TRP A 42 -9.506 -0.710 -3.366 1.00 55.11 H new ATOM 0 HB2 TRP A 42 -6.787 -2.056 -3.680 1.00 2.34 H new ATOM 0 HB3 TRP A 42 -7.209 -0.968 -2.373 1.00 2.34 H new ATOM 0 HD1 TRP A 42 -8.329 -4.437 -3.757 1.00 41.54 H new ATOM 0 HE1 TRP A 42 -9.169 -5.888 -1.791 1.00 51.34 H new ATOM 0 HE3 TRP A 42 -7.961 -0.946 -0.046 1.00 14.44 H new ATOM 0 HZ2 TRP A 42 -9.582 -5.547 0.981 1.00 71.33 H new ATOM 0 HZ3 TRP A 42 -8.583 -1.585 2.246 1.00 75.41 H new ATOM 0 HH2 TRP A 42 -9.379 -3.856 2.753 1.00 12.52 H new ATOM 653 N GLU A 43 -7.809 1.266 -3.842 1.00 11.54 N ATOM 654 CA GLU A 43 -7.132 2.475 -4.327 1.00 74.12 C ATOM 655 C GLU A 43 -6.381 3.192 -3.190 1.00 41.32 C ATOM 656 O GLU A 43 -6.985 3.649 -2.215 1.00 73.42 O ATOM 657 CB GLU A 43 -8.141 3.431 -4.986 1.00 22.12 C ATOM 658 CG GLU A 43 -7.507 4.696 -5.559 1.00 71.30 C ATOM 659 CD GLU A 43 -8.511 5.593 -6.263 1.00 51.03 C ATOM 660 OE1 GLU A 43 -9.408 6.135 -5.583 1.00 43.22 O ATOM 661 OE2 GLU A 43 -8.413 5.756 -7.501 1.00 53.41 O ATOM 0 H GLU A 43 -8.103 1.313 -2.866 1.00 11.54 H new ATOM 0 HA GLU A 43 -6.399 2.168 -5.073 1.00 74.12 H new ATOM 0 HB2 GLU A 43 -8.660 2.902 -5.785 1.00 22.12 H new ATOM 0 HB3 GLU A 43 -8.893 3.714 -4.250 1.00 22.12 H new ATOM 0 HG2 GLU A 43 -7.030 5.255 -4.753 1.00 71.30 H new ATOM 0 HG3 GLU A 43 -6.722 4.417 -6.261 1.00 71.30 H new ATOM 668 N MET A 44 -5.059 3.274 -3.318 1.00 1.12 N ATOM 669 CA MET A 44 -4.210 3.942 -2.323 1.00 44.22 C ATOM 670 C MET A 44 -3.989 5.426 -2.667 1.00 42.41 C ATOM 671 O MET A 44 -3.406 5.749 -3.698 1.00 73.32 O ATOM 672 CB MET A 44 -2.853 3.222 -2.232 1.00 41.52 C ATOM 673 CG MET A 44 -1.787 4.010 -1.482 1.00 41.52 C ATOM 674 SD MET A 44 -0.245 3.101 -1.277 1.00 62.44 S ATOM 675 CE MET A 44 -0.760 1.822 -0.132 1.00 4.43 C ATOM 0 H MET A 44 -4.544 2.883 -4.107 1.00 1.12 H new ATOM 0 HA MET A 44 -4.721 3.895 -1.361 1.00 44.22 H new ATOM 0 HB2 MET A 44 -2.995 2.261 -1.739 1.00 41.52 H new ATOM 0 HB3 MET A 44 -2.495 3.013 -3.240 1.00 41.52 H new ATOM 0 HG2 MET A 44 -1.586 4.938 -2.018 1.00 41.52 H new ATOM 0 HG3 MET A 44 -2.172 4.286 -0.500 1.00 41.52 H new ATOM 0 HE1 MET A 44 -0.370 0.859 -0.463 1.00 4.43 H new ATOM 0 HE2 MET A 44 -0.375 2.047 0.862 1.00 4.43 H new ATOM 0 HE3 MET A 44 -1.849 1.780 -0.099 1.00 4.43 H new ATOM 685 N ILE A 45 -4.448 6.323 -1.800 1.00 14.34 N ATOM 686 CA ILE A 45 -4.219 7.761 -1.983 1.00 10.02 C ATOM 687 C ILE A 45 -3.114 8.257 -1.034 1.00 2.55 C ATOM 688 O ILE A 45 -3.342 8.434 0.163 1.00 53.33 O ATOM 689 CB ILE A 45 -5.517 8.574 -1.740 1.00 21.53 C ATOM 690 CG1 ILE A 45 -6.635 8.084 -2.678 1.00 73.14 C ATOM 691 CG2 ILE A 45 -5.261 10.071 -1.938 1.00 14.11 C ATOM 692 CD1 ILE A 45 -7.957 8.796 -2.484 1.00 0.23 C ATOM 0 H ILE A 45 -4.981 6.085 -0.963 1.00 14.34 H new ATOM 0 HA ILE A 45 -3.903 7.914 -3.015 1.00 10.02 H new ATOM 0 HB ILE A 45 -5.837 8.419 -0.710 1.00 21.53 H new ATOM 0 HG12 ILE A 45 -6.312 8.214 -3.711 1.00 73.14 H new ATOM 0 HG13 ILE A 45 -6.783 7.015 -2.523 1.00 73.14 H new ATOM 0 HG21 ILE A 45 -6.184 10.624 -1.763 1.00 14.11 H new ATOM 0 HG22 ILE A 45 -4.498 10.406 -1.235 1.00 14.11 H new ATOM 0 HG23 ILE A 45 -4.918 10.250 -2.957 1.00 14.11 H new ATOM 0 HD11 ILE A 45 -8.692 8.394 -3.181 1.00 0.23 H new ATOM 0 HD12 ILE A 45 -8.305 8.645 -1.462 1.00 0.23 H new ATOM 0 HD13 ILE A 45 -7.827 9.862 -2.669 1.00 0.23 H new ATOM 704 N ARG A 46 -1.911 8.461 -1.570 1.00 64.01 N ATOM 705 CA ARG A 46 -0.761 8.875 -0.756 1.00 12.40 C ATOM 706 C ARG A 46 -0.650 10.407 -0.679 1.00 14.42 C ATOM 707 O ARG A 46 -0.501 11.081 -1.702 1.00 62.44 O ATOM 708 CB ARG A 46 0.540 8.293 -1.331 1.00 25.23 C ATOM 709 CG ARG A 46 1.694 8.259 -0.329 1.00 4.22 C ATOM 710 CD ARG A 46 3.016 7.853 -0.979 1.00 61.34 C ATOM 711 NE ARG A 46 3.668 8.976 -1.654 1.00 35.44 N ATOM 712 CZ ARG A 46 4.150 8.933 -2.869 1.00 3.01 C ATOM 713 NH1 ARG A 46 4.007 7.873 -3.602 1.00 30.34 N ATOM 714 NH2 ARG A 46 4.776 9.954 -3.355 1.00 1.54 N ATOM 0 H ARG A 46 -1.704 8.347 -2.562 1.00 64.01 H new ATOM 0 HA ARG A 46 -0.917 8.490 0.252 1.00 12.40 H new ATOM 0 HB2 ARG A 46 0.349 7.280 -1.686 1.00 25.23 H new ATOM 0 HB3 ARG A 46 0.840 8.883 -2.197 1.00 25.23 H new ATOM 0 HG2 ARG A 46 1.804 9.242 0.129 1.00 4.22 H new ATOM 0 HG3 ARG A 46 1.456 7.559 0.472 1.00 4.22 H new ATOM 0 HD2 ARG A 46 3.685 7.451 -0.218 1.00 61.34 H new ATOM 0 HD3 ARG A 46 2.835 7.054 -1.698 1.00 61.34 H new ATOM 0 HE ARG A 46 3.752 9.854 -1.141 1.00 35.44 H new ATOM 0 HH11 ARG A 46 3.514 7.060 -3.232 1.00 30.34 H new ATOM 0 HH12 ARG A 46 4.388 7.852 -4.548 1.00 30.34 H new ATOM 0 HH21 ARG A 46 4.895 10.795 -2.791 1.00 1.54 H new ATOM 0 HH22 ARG A 46 5.151 9.918 -4.303 1.00 1.54 H new ATOM 728 N LYS A 47 -0.711 10.945 0.538 1.00 44.23 N ATOM 729 CA LYS A 47 -0.597 12.391 0.766 1.00 20.31 C ATOM 730 C LYS A 47 0.770 12.748 1.372 1.00 44.14 C ATOM 731 O LYS A 47 1.074 12.370 2.504 1.00 52.32 O ATOM 732 CB LYS A 47 -1.723 12.861 1.696 1.00 44.31 C ATOM 733 CG LYS A 47 -3.116 12.566 1.150 1.00 53.13 C ATOM 734 CD LYS A 47 -4.216 12.998 2.117 1.00 2.30 C ATOM 735 CE LYS A 47 -4.216 14.505 2.352 1.00 2.20 C ATOM 736 NZ LYS A 47 -4.456 15.268 1.097 1.00 41.21 N ATOM 0 H LYS A 47 -0.840 10.399 1.390 1.00 44.23 H new ATOM 0 HA LYS A 47 -0.685 12.898 -0.195 1.00 20.31 H new ATOM 0 HB2 LYS A 47 -1.610 12.377 2.666 1.00 44.31 H new ATOM 0 HB3 LYS A 47 -1.625 13.934 1.862 1.00 44.31 H new ATOM 0 HG2 LYS A 47 -3.248 13.081 0.198 1.00 53.13 H new ATOM 0 HG3 LYS A 47 -3.208 11.498 0.951 1.00 53.13 H new ATOM 0 HD2 LYS A 47 -5.185 12.693 1.722 1.00 2.30 H new ATOM 0 HD3 LYS A 47 -4.084 12.483 3.069 1.00 2.30 H new ATOM 0 HE2 LYS A 47 -4.985 14.758 3.082 1.00 2.20 H new ATOM 0 HE3 LYS A 47 -3.260 14.805 2.780 1.00 2.20 H new ATOM 0 HZ1 LYS A 47 -4.616 16.270 1.325 1.00 41.21 H new ATOM 0 HZ2 LYS A 47 -3.627 15.183 0.475 1.00 41.21 H new ATOM 0 HZ3 LYS A 47 -5.293 14.885 0.613 1.00 41.21 H new ATOM 750 N ILE A 48 1.586 13.477 0.613 1.00 74.43 N ATOM 751 CA ILE A 48 2.947 13.829 1.046 1.00 52.45 C ATOM 752 C ILE A 48 3.358 15.206 0.496 1.00 13.02 C ATOM 753 O ILE A 48 3.079 15.528 -0.657 1.00 52.22 O ATOM 754 CB ILE A 48 3.964 12.731 0.595 1.00 53.24 C ATOM 755 CG1 ILE A 48 5.380 12.961 1.182 1.00 52.12 C ATOM 756 CG2 ILE A 48 4.016 12.630 -0.930 1.00 14.32 C ATOM 757 CD1 ILE A 48 6.253 13.931 0.403 1.00 2.41 C ATOM 0 H ILE A 48 1.333 13.838 -0.307 1.00 74.43 H new ATOM 0 HA ILE A 48 2.956 13.883 2.135 1.00 52.45 H new ATOM 0 HB ILE A 48 3.605 11.782 0.994 1.00 53.24 H new ATOM 0 HG12 ILE A 48 5.277 13.329 2.203 1.00 52.12 H new ATOM 0 HG13 ILE A 48 5.893 12.001 1.239 1.00 52.12 H new ATOM 0 HG21 ILE A 48 4.731 11.859 -1.219 1.00 14.32 H new ATOM 0 HG22 ILE A 48 3.028 12.371 -1.311 1.00 14.32 H new ATOM 0 HG23 ILE A 48 4.326 13.588 -1.348 1.00 14.32 H new ATOM 0 HD11 ILE A 48 7.222 14.024 0.894 1.00 2.41 H new ATOM 0 HD12 ILE A 48 6.394 13.559 -0.612 1.00 2.41 H new ATOM 0 HD13 ILE A 48 5.770 14.907 0.367 1.00 2.41 H new ATOM 769 N GLY A 49 4.007 16.020 1.330 1.00 62.41 N ATOM 770 CA GLY A 49 4.449 17.349 0.902 1.00 52.34 C ATOM 771 C GLY A 49 3.318 18.217 0.347 1.00 34.05 C ATOM 772 O GLY A 49 3.515 18.973 -0.607 1.00 25.23 O ATOM 0 H GLY A 49 4.237 15.786 2.296 1.00 62.41 H new ATOM 0 HA2 GLY A 49 4.908 17.861 1.748 1.00 52.34 H new ATOM 0 HA3 GLY A 49 5.220 17.239 0.139 1.00 52.34 H new ATOM 776 N ASP A 50 2.135 18.080 0.949 1.00 64.42 N ATOM 777 CA ASP A 50 0.927 18.835 0.567 1.00 74.35 C ATOM 778 C ASP A 50 0.352 18.404 -0.803 1.00 14.30 C ATOM 779 O ASP A 50 -0.705 18.880 -1.213 1.00 74.21 O ATOM 780 CB ASP A 50 1.200 20.348 0.597 1.00 52.53 C ATOM 781 CG ASP A 50 -0.067 21.174 0.437 1.00 50.53 C ATOM 782 OD1 ASP A 50 -1.007 20.993 1.240 1.00 54.32 O ATOM 783 OD2 ASP A 50 -0.125 22.021 -0.479 1.00 72.44 O ATOM 0 H ASP A 50 1.981 17.436 1.725 1.00 64.42 H new ATOM 0 HA ASP A 50 0.164 18.599 1.308 1.00 74.35 H new ATOM 0 HB2 ASP A 50 1.682 20.608 1.539 1.00 52.53 H new ATOM 0 HB3 ASP A 50 1.899 20.603 -0.200 1.00 52.53 H new ATOM 788 N THR A 51 1.031 17.498 -1.506 1.00 53.51 N ATOM 789 CA THR A 51 0.510 16.963 -2.777 1.00 62.42 C ATOM 790 C THR A 51 -0.053 15.548 -2.590 1.00 42.40 C ATOM 791 O THR A 51 0.068 14.957 -1.511 1.00 71.23 O ATOM 792 CB THR A 51 1.582 16.952 -3.898 1.00 32.21 C ATOM 793 OG1 THR A 51 1.009 16.468 -5.122 1.00 54.25 O ATOM 794 CG2 THR A 51 2.783 16.085 -3.530 1.00 15.01 C ATOM 0 H THR A 51 1.935 17.118 -1.226 1.00 53.51 H new ATOM 0 HA THR A 51 -0.292 17.633 -3.086 1.00 62.42 H new ATOM 0 HB THR A 51 1.928 17.978 -4.025 1.00 32.21 H new ATOM 0 HG1 THR A 51 0.192 16.971 -5.322 1.00 54.25 H new ATOM 0 HG21 THR A 51 3.509 16.106 -4.343 1.00 15.01 H new ATOM 0 HG22 THR A 51 3.245 16.470 -2.621 1.00 15.01 H new ATOM 0 HG23 THR A 51 2.454 15.059 -3.363 1.00 15.01 H new ATOM 802 N SER A 52 -0.675 15.006 -3.633 1.00 21.32 N ATOM 803 CA SER A 52 -1.303 13.680 -3.554 1.00 25.23 C ATOM 804 C SER A 52 -1.064 12.853 -4.820 1.00 35.20 C ATOM 805 O SER A 52 -0.918 13.392 -5.921 1.00 24.21 O ATOM 806 CB SER A 52 -2.815 13.809 -3.313 1.00 60.31 C ATOM 807 OG SER A 52 -3.465 14.445 -4.406 1.00 34.24 O ATOM 0 H SER A 52 -0.761 15.459 -4.543 1.00 21.32 H new ATOM 0 HA SER A 52 -0.839 13.163 -2.715 1.00 25.23 H new ATOM 0 HB2 SER A 52 -3.245 12.820 -3.158 1.00 60.31 H new ATOM 0 HB3 SER A 52 -2.992 14.380 -2.401 1.00 60.31 H new ATOM 0 HG SER A 52 -4.425 14.510 -4.222 1.00 34.24 H new ATOM 813 N VAL A 53 -1.027 11.537 -4.648 1.00 74.30 N ATOM 814 CA VAL A 53 -0.896 10.599 -5.766 1.00 54.43 C ATOM 815 C VAL A 53 -1.606 9.272 -5.438 1.00 32.41 C ATOM 816 O VAL A 53 -1.406 8.700 -4.365 1.00 21.44 O ATOM 817 CB VAL A 53 0.595 10.342 -6.117 1.00 63.25 C ATOM 818 CG1 VAL A 53 1.368 9.822 -4.905 1.00 40.24 C ATOM 819 CG2 VAL A 53 0.720 9.384 -7.302 1.00 12.12 C ATOM 0 H VAL A 53 -1.086 11.087 -3.734 1.00 74.30 H new ATOM 0 HA VAL A 53 -1.372 11.048 -6.637 1.00 54.43 H new ATOM 0 HB VAL A 53 1.038 11.295 -6.407 1.00 63.25 H new ATOM 0 HG11 VAL A 53 2.408 9.652 -5.183 1.00 40.24 H new ATOM 0 HG12 VAL A 53 1.322 10.557 -4.102 1.00 40.24 H new ATOM 0 HG13 VAL A 53 0.925 8.886 -4.565 1.00 40.24 H new ATOM 0 HG21 VAL A 53 1.774 9.220 -7.528 1.00 12.12 H new ATOM 0 HG22 VAL A 53 0.250 8.433 -7.052 1.00 12.12 H new ATOM 0 HG23 VAL A 53 0.225 9.815 -8.172 1.00 12.12 H new ATOM 829 N SER A 54 -2.446 8.792 -6.354 1.00 23.13 N ATOM 830 CA SER A 54 -3.248 7.580 -6.115 1.00 55.21 C ATOM 831 C SER A 54 -2.709 6.367 -6.886 1.00 70.44 C ATOM 832 O SER A 54 -2.147 6.498 -7.975 1.00 3.32 O ATOM 833 CB SER A 54 -4.717 7.816 -6.500 1.00 14.42 C ATOM 834 OG SER A 54 -4.861 8.047 -7.893 1.00 54.12 O ATOM 0 H SER A 54 -2.593 9.219 -7.269 1.00 23.13 H new ATOM 0 HA SER A 54 -3.178 7.363 -5.049 1.00 55.21 H new ATOM 0 HB2 SER A 54 -5.313 6.951 -6.210 1.00 14.42 H new ATOM 0 HB3 SER A 54 -5.106 8.671 -5.947 1.00 14.42 H new ATOM 0 HG SER A 54 -5.807 8.192 -8.105 1.00 54.12 H new ATOM 840 N TYR A 55 -2.889 5.182 -6.307 1.00 53.22 N ATOM 841 CA TYR A 55 -2.502 3.925 -6.954 1.00 23.40 C ATOM 842 C TYR A 55 -3.673 2.932 -6.942 1.00 75.31 C ATOM 843 O TYR A 55 -4.084 2.451 -5.885 1.00 52.05 O ATOM 844 CB TYR A 55 -1.281 3.314 -6.255 1.00 42.23 C ATOM 845 CG TYR A 55 -0.701 2.117 -6.984 1.00 51.45 C ATOM 846 CD1 TYR A 55 -0.037 2.278 -8.195 1.00 33.14 C ATOM 847 CD2 TYR A 55 -0.816 0.830 -6.466 1.00 11.44 C ATOM 848 CE1 TYR A 55 0.492 1.196 -8.869 1.00 20.24 C ATOM 849 CE2 TYR A 55 -0.287 -0.258 -7.135 1.00 25.25 C ATOM 850 CZ TYR A 55 0.367 -0.069 -8.337 1.00 42.24 C ATOM 851 OH TYR A 55 0.898 -1.148 -9.008 1.00 53.45 O ATOM 0 H TYR A 55 -3.304 5.063 -5.383 1.00 53.22 H new ATOM 0 HA TYR A 55 -2.238 4.140 -7.990 1.00 23.40 H new ATOM 0 HB2 TYR A 55 -0.509 4.078 -6.156 1.00 42.23 H new ATOM 0 HB3 TYR A 55 -1.563 3.013 -5.246 1.00 42.23 H new ATOM 0 HD1 TYR A 55 0.067 3.267 -8.616 1.00 33.14 H new ATOM 0 HD2 TYR A 55 -1.327 0.679 -5.526 1.00 11.44 H new ATOM 0 HE1 TYR A 55 1.002 1.340 -9.810 1.00 20.24 H new ATOM 0 HE2 TYR A 55 -0.385 -1.250 -6.720 1.00 25.25 H new ATOM 0 HH TYR A 55 1.762 -0.898 -9.398 1.00 53.45 H new ATOM 861 N LYS A 56 -4.212 2.644 -8.120 1.00 54.12 N ATOM 862 CA LYS A 56 -5.356 1.734 -8.252 1.00 41.23 C ATOM 863 C LYS A 56 -4.907 0.265 -8.325 1.00 75.33 C ATOM 864 O LYS A 56 -4.085 -0.106 -9.164 1.00 33.40 O ATOM 865 CB LYS A 56 -6.163 2.115 -9.497 1.00 1.35 C ATOM 866 CG LYS A 56 -7.389 1.246 -9.754 1.00 51.43 C ATOM 867 CD LYS A 56 -8.232 1.803 -10.901 1.00 45.32 C ATOM 868 CE LYS A 56 -7.404 2.013 -12.166 1.00 55.20 C ATOM 869 NZ LYS A 56 -8.177 2.707 -13.226 1.00 54.31 N ATOM 0 H LYS A 56 -3.878 3.026 -9.004 1.00 54.12 H new ATOM 0 HA LYS A 56 -5.983 1.834 -7.366 1.00 41.23 H new ATOM 0 HB2 LYS A 56 -6.484 3.152 -9.402 1.00 1.35 H new ATOM 0 HB3 LYS A 56 -5.509 2.062 -10.367 1.00 1.35 H new ATOM 0 HG2 LYS A 56 -7.074 0.230 -9.991 1.00 51.43 H new ATOM 0 HG3 LYS A 56 -7.994 1.189 -8.849 1.00 51.43 H new ATOM 0 HD2 LYS A 56 -9.053 1.118 -11.114 1.00 45.32 H new ATOM 0 HD3 LYS A 56 -8.678 2.750 -10.597 1.00 45.32 H new ATOM 0 HE2 LYS A 56 -6.515 2.596 -11.925 1.00 55.20 H new ATOM 0 HE3 LYS A 56 -7.061 1.048 -12.540 1.00 55.20 H new ATOM 0 HZ1 LYS A 56 -7.579 2.830 -14.068 1.00 54.31 H new ATOM 0 HZ2 LYS A 56 -9.012 2.139 -13.475 1.00 54.31 H new ATOM 0 HZ3 LYS A 56 -8.483 3.639 -12.879 1.00 54.31 H new ATOM 883 N TYR A 57 -5.459 -0.565 -7.443 1.00 20.12 N ATOM 884 CA TYR A 57 -5.079 -1.981 -7.354 1.00 23.30 C ATOM 885 C TYR A 57 -5.868 -2.861 -8.334 1.00 2.10 C ATOM 886 O TYR A 57 -6.860 -2.434 -8.928 1.00 34.12 O ATOM 887 CB TYR A 57 -5.286 -2.495 -5.923 1.00 44.33 C ATOM 888 CG TYR A 57 -4.362 -1.854 -4.907 1.00 34.44 C ATOM 889 CD1 TYR A 57 -4.592 -0.565 -4.446 1.00 14.35 C ATOM 890 CD2 TYR A 57 -3.257 -2.537 -4.415 1.00 60.01 C ATOM 891 CE1 TYR A 57 -3.750 0.023 -3.525 1.00 42.42 C ATOM 892 CE2 TYR A 57 -2.412 -1.955 -3.496 1.00 1.51 C ATOM 893 CZ TYR A 57 -2.662 -0.678 -3.055 1.00 32.22 C ATOM 894 OH TYR A 57 -1.820 -0.097 -2.139 1.00 22.03 O ATOM 0 H TYR A 57 -6.176 -0.283 -6.774 1.00 20.12 H new ATOM 0 HA TYR A 57 -4.025 -2.046 -7.625 1.00 23.30 H new ATOM 0 HB2 TYR A 57 -6.319 -2.314 -5.627 1.00 44.33 H new ATOM 0 HB3 TYR A 57 -5.135 -3.574 -5.908 1.00 44.33 H new ATOM 0 HD1 TYR A 57 -5.444 -0.013 -4.814 1.00 14.35 H new ATOM 0 HD2 TYR A 57 -3.057 -3.541 -4.759 1.00 60.01 H new ATOM 0 HE1 TYR A 57 -3.943 1.026 -3.175 1.00 42.42 H new ATOM 0 HE2 TYR A 57 -1.557 -2.500 -3.124 1.00 1.51 H new ATOM 0 HH TYR A 57 -1.254 -0.786 -1.732 1.00 22.03 H new ATOM 904 N THR A 58 -5.424 -4.106 -8.476 1.00 72.01 N ATOM 905 CA THR A 58 -6.058 -5.069 -9.387 1.00 52.30 C ATOM 906 C THR A 58 -6.126 -6.473 -8.774 1.00 44.33 C ATOM 907 O THR A 58 -5.349 -6.814 -7.882 1.00 53.42 O ATOM 908 CB THR A 58 -5.306 -5.153 -10.738 1.00 30.20 C ATOM 909 OG1 THR A 58 -5.763 -6.291 -11.489 1.00 62.32 O ATOM 910 CG2 THR A 58 -3.795 -5.244 -10.530 1.00 53.23 C ATOM 0 H THR A 58 -4.621 -4.479 -7.970 1.00 72.01 H new ATOM 0 HA THR A 58 -7.071 -4.704 -9.558 1.00 52.30 H new ATOM 0 HB THR A 58 -5.518 -4.240 -11.295 1.00 30.20 H new ATOM 0 HG1 THR A 58 -5.283 -6.334 -12.342 1.00 62.32 H new ATOM 0 HG21 THR A 58 -3.297 -5.302 -11.498 1.00 53.23 H new ATOM 0 HG22 THR A 58 -3.447 -4.360 -9.995 1.00 53.23 H new ATOM 0 HG23 THR A 58 -3.561 -6.135 -9.948 1.00 53.23 H new ATOM 918 N SER A 59 -7.047 -7.291 -9.279 1.00 42.31 N ATOM 919 CA SER A 59 -7.242 -8.664 -8.784 1.00 33.25 C ATOM 920 C SER A 59 -6.328 -9.669 -9.504 1.00 63.12 C ATOM 921 O SER A 59 -6.602 -10.866 -9.515 1.00 62.43 O ATOM 922 CB SER A 59 -8.710 -9.080 -8.967 1.00 33.31 C ATOM 923 OG SER A 59 -9.123 -8.936 -10.319 1.00 53.11 O ATOM 0 H SER A 59 -7.678 -7.030 -10.037 1.00 42.31 H new ATOM 0 HA SER A 59 -6.980 -8.673 -7.726 1.00 33.25 H new ATOM 0 HB2 SER A 59 -8.838 -10.116 -8.654 1.00 33.31 H new ATOM 0 HB3 SER A 59 -9.346 -8.471 -8.324 1.00 33.31 H new ATOM 0 HG SER A 59 -10.060 -9.209 -10.406 1.00 53.11 H new ATOM 929 N ARG A 60 -5.219 -9.182 -10.065 1.00 12.55 N ATOM 930 CA ARG A 60 -4.304 -10.029 -10.851 1.00 31.22 C ATOM 931 C ARG A 60 -3.544 -11.050 -9.979 1.00 54.41 C ATOM 932 O ARG A 60 -2.762 -11.853 -10.496 1.00 55.15 O ATOM 933 CB ARG A 60 -3.295 -9.153 -11.618 1.00 54.21 C ATOM 934 CG ARG A 60 -2.184 -8.564 -10.745 1.00 52.01 C ATOM 935 CD ARG A 60 -1.227 -7.675 -11.542 1.00 0.23 C ATOM 936 NE ARG A 60 -0.707 -8.345 -12.735 1.00 1.23 N ATOM 937 CZ ARG A 60 0.514 -8.222 -13.185 1.00 73.12 C ATOM 938 NH1 ARG A 60 1.404 -7.562 -12.518 1.00 3.41 N ATOM 939 NH2 ARG A 60 0.849 -8.793 -14.294 1.00 63.23 N ATOM 0 H ARG A 60 -4.928 -8.207 -9.993 1.00 12.55 H new ATOM 0 HA ARG A 60 -4.920 -10.592 -11.553 1.00 31.22 H new ATOM 0 HB2 ARG A 60 -2.842 -9.749 -12.410 1.00 54.21 H new ATOM 0 HB3 ARG A 60 -3.833 -8.337 -12.101 1.00 54.21 H new ATOM 0 HG2 ARG A 60 -2.629 -7.982 -9.938 1.00 52.01 H new ATOM 0 HG3 ARG A 60 -1.622 -9.374 -10.281 1.00 52.01 H new ATOM 0 HD2 ARG A 60 -1.744 -6.762 -11.838 1.00 0.23 H new ATOM 0 HD3 ARG A 60 -0.395 -7.378 -10.904 1.00 0.23 H new ATOM 0 HE ARG A 60 -1.343 -8.952 -13.252 1.00 1.23 H new ATOM 0 HH11 ARG A 60 1.157 -7.129 -11.628 1.00 3.41 H new ATOM 0 HH12 ARG A 60 2.353 -7.475 -12.882 1.00 3.41 H new ATOM 0 HH21 ARG A 60 0.162 -9.337 -14.815 1.00 63.23 H new ATOM 0 HH22 ARG A 60 1.801 -8.699 -14.649 1.00 63.23 H new ATOM 953 N TYR A 61 -3.763 -11.014 -8.664 1.00 42.30 N ATOM 954 CA TYR A 61 -3.073 -11.922 -7.735 1.00 72.33 C ATOM 955 C TYR A 61 -3.922 -12.209 -6.484 1.00 32.52 C ATOM 956 O TYR A 61 -4.808 -11.428 -6.119 1.00 21.43 O ATOM 957 CB TYR A 61 -1.706 -11.335 -7.337 1.00 20.11 C ATOM 958 CG TYR A 61 -1.785 -10.012 -6.588 1.00 35.14 C ATOM 959 CD1 TYR A 61 -2.278 -8.866 -7.206 1.00 51.21 C ATOM 960 CD2 TYR A 61 -1.366 -9.912 -5.266 1.00 40.20 C ATOM 961 CE1 TYR A 61 -2.355 -7.666 -6.529 1.00 21.21 C ATOM 962 CE2 TYR A 61 -1.442 -8.712 -4.583 1.00 43.24 C ATOM 963 CZ TYR A 61 -1.935 -7.593 -5.221 1.00 13.12 C ATOM 964 OH TYR A 61 -2.020 -6.397 -4.543 1.00 1.42 O ATOM 0 H TYR A 61 -4.412 -10.368 -8.214 1.00 42.30 H new ATOM 0 HA TYR A 61 -2.917 -12.871 -8.249 1.00 72.33 H new ATOM 0 HB2 TYR A 61 -1.180 -12.060 -6.716 1.00 20.11 H new ATOM 0 HB3 TYR A 61 -1.108 -11.194 -8.238 1.00 20.11 H new ATOM 0 HD1 TYR A 61 -2.606 -8.917 -8.234 1.00 51.21 H new ATOM 0 HD2 TYR A 61 -0.975 -10.785 -4.765 1.00 40.20 H new ATOM 0 HE1 TYR A 61 -2.743 -6.788 -7.024 1.00 21.21 H new ATOM 0 HE2 TYR A 61 -1.117 -8.651 -3.555 1.00 43.24 H new ATOM 0 HH TYR A 61 -2.463 -6.541 -3.681 1.00 1.42 H new ATOM 974 N VAL A 62 -3.642 -13.338 -5.829 1.00 62.42 N ATOM 975 CA VAL A 62 -4.381 -13.759 -4.632 1.00 60.32 C ATOM 976 C VAL A 62 -3.571 -13.509 -3.347 1.00 65.34 C ATOM 977 O VAL A 62 -2.443 -13.983 -3.208 1.00 63.13 O ATOM 978 CB VAL A 62 -4.755 -15.263 -4.710 1.00 32.00 C ATOM 979 CG1 VAL A 62 -5.504 -15.713 -3.455 1.00 65.22 C ATOM 980 CG2 VAL A 62 -5.578 -15.550 -5.965 1.00 34.03 C ATOM 0 H VAL A 62 -2.903 -13.983 -6.109 1.00 62.42 H new ATOM 0 HA VAL A 62 -5.290 -13.159 -4.597 1.00 60.32 H new ATOM 0 HB VAL A 62 -3.829 -15.836 -4.768 1.00 32.00 H new ATOM 0 HG11 VAL A 62 -5.752 -16.771 -3.539 1.00 65.22 H new ATOM 0 HG12 VAL A 62 -4.874 -15.557 -2.580 1.00 65.22 H new ATOM 0 HG13 VAL A 62 -6.420 -15.132 -3.350 1.00 65.22 H new ATOM 0 HG21 VAL A 62 -5.830 -16.610 -6.001 1.00 34.03 H new ATOM 0 HG22 VAL A 62 -6.494 -14.960 -5.942 1.00 34.03 H new ATOM 0 HG23 VAL A 62 -4.998 -15.285 -6.849 1.00 34.03 H new ATOM 990 N LEU A 63 -4.158 -12.772 -2.406 1.00 52.13 N ATOM 991 CA LEU A 63 -3.515 -12.491 -1.118 1.00 12.14 C ATOM 992 C LEU A 63 -3.743 -13.634 -0.119 1.00 5.14 C ATOM 993 O LEU A 63 -4.859 -13.847 0.358 1.00 24.22 O ATOM 994 CB LEU A 63 -4.038 -11.169 -0.524 1.00 12.54 C ATOM 995 CG LEU A 63 -3.538 -9.882 -1.203 1.00 53.23 C ATOM 996 CD1 LEU A 63 -2.013 -9.793 -1.131 1.00 44.45 C ATOM 997 CD2 LEU A 63 -4.032 -9.802 -2.646 1.00 34.14 C ATOM 0 H LEU A 63 -5.083 -12.355 -2.510 1.00 52.13 H new ATOM 0 HA LEU A 63 -2.444 -12.401 -1.301 1.00 12.14 H new ATOM 0 HB2 LEU A 63 -5.127 -11.180 -0.567 1.00 12.54 H new ATOM 0 HB3 LEU A 63 -3.761 -11.132 0.530 1.00 12.54 H new ATOM 0 HG LEU A 63 -3.949 -9.027 -0.666 1.00 53.23 H new ATOM 0 HD11 LEU A 63 -1.679 -8.876 -1.617 1.00 44.45 H new ATOM 0 HD12 LEU A 63 -1.698 -9.787 -0.088 1.00 44.45 H new ATOM 0 HD13 LEU A 63 -1.574 -10.653 -1.638 1.00 44.45 H new ATOM 0 HD21 LEU A 63 -3.666 -8.884 -3.105 1.00 34.14 H new ATOM 0 HD22 LEU A 63 -3.661 -10.661 -3.206 1.00 34.14 H new ATOM 0 HD23 LEU A 63 -5.122 -9.804 -2.658 1.00 34.14 H new ATOM 1009 N LYS A 64 -2.682 -14.372 0.185 1.00 64.01 N ATOM 1010 CA LYS A 64 -2.749 -15.456 1.169 1.00 64.42 C ATOM 1011 C LYS A 64 -2.658 -14.910 2.602 1.00 61.30 C ATOM 1012 O LYS A 64 -1.957 -13.929 2.856 1.00 62.30 O ATOM 1013 CB LYS A 64 -1.637 -16.479 0.903 1.00 0.42 C ATOM 1014 CG LYS A 64 -1.735 -17.122 -0.479 1.00 0.21 C ATOM 1015 CD LYS A 64 -0.633 -18.148 -0.724 1.00 35.14 C ATOM 1016 CE LYS A 64 -0.760 -18.781 -2.105 1.00 14.04 C ATOM 1017 NZ LYS A 64 0.343 -19.735 -2.387 1.00 25.12 N ATOM 0 H LYS A 64 -1.761 -14.242 -0.234 1.00 64.01 H new ATOM 0 HA LYS A 64 -3.713 -15.954 1.067 1.00 64.42 H new ATOM 0 HB2 LYS A 64 -0.669 -15.988 1.001 1.00 0.42 H new ATOM 0 HB3 LYS A 64 -1.678 -17.258 1.664 1.00 0.42 H new ATOM 0 HG2 LYS A 64 -2.707 -17.605 -0.584 1.00 0.21 H new ATOM 0 HG3 LYS A 64 -1.681 -16.346 -1.242 1.00 0.21 H new ATOM 0 HD2 LYS A 64 0.341 -17.668 -0.630 1.00 35.14 H new ATOM 0 HD3 LYS A 64 -0.680 -18.924 0.040 1.00 35.14 H new ATOM 0 HE2 LYS A 64 -1.715 -19.300 -2.179 1.00 14.04 H new ATOM 0 HE3 LYS A 64 -0.764 -17.998 -2.863 1.00 14.04 H new ATOM 0 HZ1 LYS A 64 0.216 -20.141 -3.336 1.00 25.12 H new ATOM 0 HZ2 LYS A 64 1.254 -19.235 -2.343 1.00 25.12 H new ATOM 0 HZ3 LYS A 64 0.332 -20.497 -1.680 1.00 25.12 H new ATOM 1031 N ALA A 65 -3.381 -15.539 3.527 1.00 42.03 N ATOM 1032 CA ALA A 65 -3.420 -15.099 4.929 1.00 64.12 C ATOM 1033 C ALA A 65 -2.006 -14.940 5.518 1.00 22.13 C ATOM 1034 O ALA A 65 -1.229 -15.897 5.568 1.00 74.13 O ATOM 1035 CB ALA A 65 -4.239 -16.083 5.763 1.00 13.01 C ATOM 0 H ALA A 65 -3.953 -16.361 3.333 1.00 42.03 H new ATOM 0 HA ALA A 65 -3.897 -14.119 4.959 1.00 64.12 H new ATOM 0 HB1 ALA A 65 -4.263 -15.749 6.800 1.00 13.01 H new ATOM 0 HB2 ALA A 65 -5.256 -16.131 5.374 1.00 13.01 H new ATOM 0 HB3 ALA A 65 -3.783 -17.072 5.710 1.00 13.01 H new ATOM 1041 N GLY A 66 -1.678 -13.723 5.948 1.00 2.34 N ATOM 1042 CA GLY A 66 -0.351 -13.444 6.485 1.00 41.02 C ATOM 1043 C GLY A 66 0.614 -12.876 5.443 1.00 64.24 C ATOM 1044 O GLY A 66 1.375 -11.946 5.733 1.00 42.43 O ATOM 0 H GLY A 66 -2.308 -12.921 5.935 1.00 2.34 H new ATOM 0 HA2 GLY A 66 -0.441 -12.738 7.310 1.00 41.02 H new ATOM 0 HA3 GLY A 66 0.068 -14.362 6.896 1.00 41.02 H new ATOM 1048 N GLN A 67 0.587 -13.423 4.225 1.00 22.51 N ATOM 1049 CA GLN A 67 1.502 -12.982 3.163 1.00 30.44 C ATOM 1050 C GLN A 67 1.216 -11.525 2.751 1.00 32.32 C ATOM 1051 O GLN A 67 0.059 -11.103 2.661 1.00 33.23 O ATOM 1052 CB GLN A 67 1.408 -13.916 1.945 1.00 33.50 C ATOM 1053 CG GLN A 67 2.439 -13.613 0.854 1.00 34.44 C ATOM 1054 CD GLN A 67 2.452 -14.633 -0.278 1.00 51.50 C ATOM 1055 OE1 GLN A 67 3.490 -14.892 -0.886 1.00 41.10 O ATOM 1056 NE2 GLN A 67 1.307 -15.214 -0.577 1.00 11.31 N ATOM 0 H GLN A 67 -0.053 -14.167 3.948 1.00 22.51 H new ATOM 0 HA GLN A 67 2.518 -13.026 3.556 1.00 30.44 H new ATOM 0 HB2 GLN A 67 1.537 -14.946 2.278 1.00 33.50 H new ATOM 0 HB3 GLN A 67 0.408 -13.842 1.518 1.00 33.50 H new ATOM 0 HG2 GLN A 67 2.236 -12.626 0.439 1.00 34.44 H new ATOM 0 HG3 GLN A 67 3.430 -13.572 1.305 1.00 34.44 H new ATOM 0 HE21 GLN A 67 0.464 -14.978 -0.054 1.00 11.31 H new ATOM 0 HE22 GLN A 67 1.265 -15.900 -1.331 1.00 11.31 H new ATOM 1065 N THR A 68 2.276 -10.760 2.504 1.00 34.11 N ATOM 1066 CA THR A 68 2.151 -9.318 2.247 1.00 71.04 C ATOM 1067 C THR A 68 2.488 -8.943 0.799 1.00 33.31 C ATOM 1068 O THR A 68 3.252 -9.633 0.124 1.00 45.32 O ATOM 1069 CB THR A 68 3.082 -8.510 3.184 1.00 43.55 C ATOM 1070 OG1 THR A 68 4.462 -8.817 2.912 1.00 20.42 O ATOM 1071 CG2 THR A 68 2.780 -8.809 4.649 1.00 14.51 C ATOM 0 H THR A 68 3.234 -11.110 2.475 1.00 34.11 H new ATOM 0 HA THR A 68 1.106 -9.071 2.437 1.00 71.04 H new ATOM 0 HB THR A 68 2.901 -7.452 2.995 1.00 43.55 H new ATOM 0 HG1 THR A 68 4.746 -9.570 3.471 1.00 20.42 H new ATOM 0 HG21 THR A 68 3.449 -8.228 5.284 1.00 14.51 H new ATOM 0 HG22 THR A 68 1.747 -8.542 4.869 1.00 14.51 H new ATOM 0 HG23 THR A 68 2.929 -9.871 4.842 1.00 14.51 H new ATOM 1079 N VAL A 69 1.911 -7.838 0.334 1.00 75.40 N ATOM 1080 CA VAL A 69 2.238 -7.272 -0.980 1.00 31.52 C ATOM 1081 C VAL A 69 2.911 -5.897 -0.824 1.00 71.11 C ATOM 1082 O VAL A 69 2.360 -4.986 -0.198 1.00 72.23 O ATOM 1083 CB VAL A 69 0.975 -7.141 -1.876 1.00 12.23 C ATOM 1084 CG1 VAL A 69 -0.120 -6.334 -1.177 1.00 74.12 C ATOM 1085 CG2 VAL A 69 1.329 -6.520 -3.229 1.00 41.43 C ATOM 0 H VAL A 69 1.208 -7.310 0.850 1.00 75.40 H new ATOM 0 HA VAL A 69 2.931 -7.958 -1.467 1.00 31.52 H new ATOM 0 HB VAL A 69 0.587 -8.144 -2.053 1.00 12.23 H new ATOM 0 HG11 VAL A 69 -0.990 -6.260 -1.829 1.00 74.12 H new ATOM 0 HG12 VAL A 69 -0.403 -6.832 -0.250 1.00 74.12 H new ATOM 0 HG13 VAL A 69 0.252 -5.334 -0.953 1.00 74.12 H new ATOM 0 HG21 VAL A 69 0.429 -6.439 -3.839 1.00 41.43 H new ATOM 0 HG22 VAL A 69 1.753 -5.528 -3.074 1.00 41.43 H new ATOM 0 HG23 VAL A 69 2.057 -7.151 -3.739 1.00 41.43 H new ATOM 1095 N THR A 70 4.109 -5.751 -1.377 1.00 41.33 N ATOM 1096 CA THR A 70 4.860 -4.496 -1.265 1.00 3.00 C ATOM 1097 C THR A 70 4.615 -3.585 -2.472 1.00 52.33 C ATOM 1098 O THR A 70 4.807 -3.984 -3.622 1.00 41.53 O ATOM 1099 CB THR A 70 6.385 -4.742 -1.129 1.00 72.42 C ATOM 1100 OG1 THR A 70 6.662 -5.545 0.032 1.00 43.43 O ATOM 1101 CG2 THR A 70 7.147 -3.424 -1.023 1.00 63.23 C ATOM 0 H THR A 70 4.585 -6.481 -1.907 1.00 41.33 H new ATOM 0 HA THR A 70 4.497 -4.007 -0.361 1.00 3.00 H new ATOM 0 HB THR A 70 6.716 -5.269 -2.024 1.00 72.42 H new ATOM 0 HG1 THR A 70 7.628 -5.694 0.104 1.00 43.43 H new ATOM 0 HG21 THR A 70 8.214 -3.627 -0.929 1.00 63.23 H new ATOM 0 HG22 THR A 70 6.969 -2.828 -1.918 1.00 63.23 H new ATOM 0 HG23 THR A 70 6.803 -2.875 -0.147 1.00 63.23 H new ATOM 1109 N ILE A 71 4.178 -2.361 -2.201 1.00 32.22 N ATOM 1110 CA ILE A 71 4.021 -1.352 -3.243 1.00 34.51 C ATOM 1111 C ILE A 71 5.346 -0.617 -3.466 1.00 52.01 C ATOM 1112 O ILE A 71 5.723 0.265 -2.690 1.00 12.20 O ATOM 1113 CB ILE A 71 2.915 -0.325 -2.890 1.00 44.44 C ATOM 1114 CG1 ILE A 71 1.609 -1.047 -2.523 1.00 64.21 C ATOM 1115 CG2 ILE A 71 2.685 0.642 -4.054 1.00 75.42 C ATOM 1116 CD1 ILE A 71 1.076 -1.953 -3.613 1.00 23.22 C ATOM 0 H ILE A 71 3.925 -2.042 -1.266 1.00 32.22 H new ATOM 0 HA ILE A 71 3.724 -1.869 -4.156 1.00 34.51 H new ATOM 0 HB ILE A 71 3.245 0.252 -2.026 1.00 44.44 H new ATOM 0 HG12 ILE A 71 1.774 -1.638 -1.622 1.00 64.21 H new ATOM 0 HG13 ILE A 71 0.851 -0.303 -2.281 1.00 64.21 H new ATOM 0 HG21 ILE A 71 1.905 1.355 -3.786 1.00 75.42 H new ATOM 0 HG22 ILE A 71 3.609 1.179 -4.269 1.00 75.42 H new ATOM 0 HG23 ILE A 71 2.377 0.082 -4.937 1.00 75.42 H new ATOM 0 HD11 ILE A 71 0.153 -2.425 -3.275 1.00 23.22 H new ATOM 0 HD12 ILE A 71 0.876 -1.366 -4.509 1.00 23.22 H new ATOM 0 HD13 ILE A 71 1.814 -2.722 -3.840 1.00 23.22 H new ATOM 1128 N TRP A 72 6.067 -1.017 -4.505 1.00 40.44 N ATOM 1129 CA TRP A 72 7.345 -0.392 -4.852 1.00 14.30 C ATOM 1130 C TRP A 72 7.128 0.864 -5.707 1.00 12.23 C ATOM 1131 O TRP A 72 5.995 1.235 -6.003 1.00 2.40 O ATOM 1132 CB TRP A 72 8.224 -1.381 -5.629 1.00 23.25 C ATOM 1133 CG TRP A 72 8.572 -2.631 -4.872 1.00 11.31 C ATOM 1134 CD1 TRP A 72 7.886 -3.811 -4.881 1.00 21.30 C ATOM 1135 CD2 TRP A 72 9.698 -2.830 -4.008 1.00 43.41 C ATOM 1136 NE1 TRP A 72 8.512 -4.729 -4.073 1.00 13.14 N ATOM 1137 CE2 TRP A 72 9.624 -4.151 -3.525 1.00 43.42 C ATOM 1138 CE3 TRP A 72 10.759 -2.018 -3.591 1.00 13.10 C ATOM 1139 CZ2 TRP A 72 10.571 -4.678 -2.652 1.00 41.04 C ATOM 1140 CZ3 TRP A 72 11.699 -2.544 -2.724 1.00 32.21 C ATOM 1141 CH2 TRP A 72 11.599 -3.864 -2.262 1.00 13.43 C ATOM 0 H TRP A 72 5.790 -1.776 -5.128 1.00 40.44 H new ATOM 0 HA TRP A 72 7.841 -0.108 -3.924 1.00 14.30 H new ATOM 0 HB2 TRP A 72 7.710 -1.659 -6.549 1.00 23.25 H new ATOM 0 HB3 TRP A 72 9.146 -0.878 -5.919 1.00 23.25 H new ATOM 0 HD1 TRP A 72 6.982 -3.996 -5.442 1.00 21.30 H new ATOM 0 HE1 TRP A 72 8.199 -5.686 -3.909 1.00 13.14 H new ATOM 0 HE3 TRP A 72 10.842 -0.999 -3.940 1.00 13.10 H new ATOM 0 HZ2 TRP A 72 10.497 -5.694 -2.295 1.00 41.04 H new ATOM 0 HZ3 TRP A 72 12.524 -1.928 -2.397 1.00 32.21 H new ATOM 0 HH2 TRP A 72 12.349 -4.246 -1.585 1.00 13.43 H new ATOM 1152 N ALA A 73 8.218 1.505 -6.114 1.00 2.13 N ATOM 1153 CA ALA A 73 8.149 2.651 -7.028 1.00 11.42 C ATOM 1154 C ALA A 73 8.625 2.261 -8.434 1.00 55.33 C ATOM 1155 O ALA A 73 9.167 1.172 -8.629 1.00 11.10 O ATOM 1156 CB ALA A 73 8.985 3.802 -6.487 1.00 3.05 C ATOM 0 H ALA A 73 9.164 1.254 -5.828 1.00 2.13 H new ATOM 0 HA ALA A 73 7.109 2.971 -7.099 1.00 11.42 H new ATOM 0 HB1 ALA A 73 8.927 4.647 -7.173 1.00 3.05 H new ATOM 0 HB2 ALA A 73 8.605 4.100 -5.510 1.00 3.05 H new ATOM 0 HB3 ALA A 73 10.023 3.484 -6.390 1.00 3.05 H new ATOM 1162 N ALA A 74 8.433 3.149 -9.413 1.00 62.11 N ATOM 1163 CA ALA A 74 8.870 2.890 -10.797 1.00 73.52 C ATOM 1164 C ALA A 74 10.348 2.461 -10.870 1.00 22.03 C ATOM 1165 O ALA A 74 10.732 1.654 -11.716 1.00 71.51 O ATOM 1166 CB ALA A 74 8.634 4.123 -11.662 1.00 5.53 C ATOM 0 H ALA A 74 7.980 4.053 -9.279 1.00 62.11 H new ATOM 0 HA ALA A 74 8.273 2.061 -11.177 1.00 73.52 H new ATOM 0 HB1 ALA A 74 8.961 3.920 -12.682 1.00 5.53 H new ATOM 0 HB2 ALA A 74 7.572 4.369 -11.663 1.00 5.53 H new ATOM 0 HB3 ALA A 74 9.200 4.963 -11.260 1.00 5.53 H new ATOM 1172 N ASN A 75 11.167 2.997 -9.966 1.00 32.31 N ATOM 1173 CA ASN A 75 12.600 2.667 -9.905 1.00 40.41 C ATOM 1174 C ASN A 75 12.886 1.580 -8.853 1.00 42.35 C ATOM 1175 O ASN A 75 13.956 1.564 -8.243 1.00 62.22 O ATOM 1176 CB ASN A 75 13.415 3.924 -9.572 1.00 25.14 C ATOM 1177 CG ASN A 75 13.263 5.021 -10.610 1.00 15.34 C ATOM 1178 OD1 ASN A 75 12.208 5.185 -11.215 1.00 44.02 O ATOM 1179 ND2 ASN A 75 14.318 5.775 -10.829 1.00 34.02 N ATOM 0 H ASN A 75 10.865 3.667 -9.259 1.00 32.31 H new ATOM 0 HA ASN A 75 12.892 2.283 -10.882 1.00 40.41 H new ATOM 0 HB2 ASN A 75 13.103 4.306 -8.600 1.00 25.14 H new ATOM 0 HB3 ASN A 75 14.468 3.656 -9.486 1.00 25.14 H new ATOM 0 HD21 ASN A 75 14.275 6.524 -11.520 1.00 34.02 H new ATOM 0 HD22 ASN A 75 15.179 5.611 -10.308 1.00 34.02 H new ATOM 1186 N ALA A 76 11.933 0.668 -8.663 1.00 24.12 N ATOM 1187 CA ALA A 76 12.054 -0.409 -7.667 1.00 73.21 C ATOM 1188 C ALA A 76 13.394 -1.158 -7.755 1.00 74.31 C ATOM 1189 O ALA A 76 14.068 -1.369 -6.746 1.00 4.32 O ATOM 1190 CB ALA A 76 10.905 -1.397 -7.836 1.00 62.12 C ATOM 0 H ALA A 76 11.059 0.650 -9.189 1.00 24.12 H new ATOM 0 HA ALA A 76 12.012 0.060 -6.684 1.00 73.21 H new ATOM 0 HB1 ALA A 76 10.998 -2.193 -7.097 1.00 62.12 H new ATOM 0 HB2 ALA A 76 9.956 -0.879 -7.695 1.00 62.12 H new ATOM 0 HB3 ALA A 76 10.938 -1.826 -8.837 1.00 62.12 H new ATOM 1196 N GLY A 77 13.773 -1.560 -8.965 1.00 64.40 N ATOM 1197 CA GLY A 77 14.981 -2.362 -9.151 1.00 63.00 C ATOM 1198 C GLY A 77 14.664 -3.815 -9.488 1.00 5.13 C ATOM 1199 O GLY A 77 15.403 -4.471 -10.228 1.00 53.42 O ATOM 0 H GLY A 77 13.267 -1.347 -9.825 1.00 64.40 H new ATOM 0 HA2 GLY A 77 15.583 -1.929 -9.950 1.00 63.00 H new ATOM 0 HA3 GLY A 77 15.583 -2.325 -8.243 1.00 63.00 H new ATOM 1203 N VAL A 78 13.567 -4.319 -8.923 1.00 43.24 N ATOM 1204 CA VAL A 78 13.047 -5.650 -9.257 1.00 63.23 C ATOM 1205 C VAL A 78 12.349 -5.637 -10.630 1.00 52.22 C ATOM 1206 O VAL A 78 12.423 -4.648 -11.362 1.00 14.42 O ATOM 1207 CB VAL A 78 12.054 -6.147 -8.173 1.00 63.41 C ATOM 1208 CG1 VAL A 78 12.741 -6.245 -6.810 1.00 72.11 C ATOM 1209 CG2 VAL A 78 10.826 -5.235 -8.094 1.00 72.14 C ATOM 0 H VAL A 78 13.015 -3.822 -8.225 1.00 43.24 H new ATOM 0 HA VAL A 78 13.895 -6.333 -9.297 1.00 63.23 H new ATOM 0 HB VAL A 78 11.718 -7.144 -8.459 1.00 63.41 H new ATOM 0 HG11 VAL A 78 12.025 -6.595 -6.066 1.00 72.11 H new ATOM 0 HG12 VAL A 78 13.573 -6.946 -6.872 1.00 72.11 H new ATOM 0 HG13 VAL A 78 13.115 -5.263 -6.520 1.00 72.11 H new ATOM 0 HG21 VAL A 78 10.146 -5.606 -7.327 1.00 72.14 H new ATOM 0 HG22 VAL A 78 11.140 -4.222 -7.842 1.00 72.14 H new ATOM 0 HG23 VAL A 78 10.316 -5.227 -9.057 1.00 72.14 H new ATOM 1219 N THR A 79 11.679 -6.731 -10.988 1.00 31.24 N ATOM 1220 CA THR A 79 10.949 -6.796 -12.263 1.00 3.45 C ATOM 1221 C THR A 79 9.712 -5.888 -12.246 1.00 65.12 C ATOM 1222 O THR A 79 9.072 -5.708 -11.210 1.00 61.21 O ATOM 1223 CB THR A 79 10.505 -8.240 -12.605 1.00 14.21 C ATOM 1224 OG1 THR A 79 9.601 -8.736 -11.610 1.00 32.23 O ATOM 1225 CG2 THR A 79 11.708 -9.172 -12.707 1.00 42.34 C ATOM 0 H THR A 79 11.623 -7.579 -10.423 1.00 31.24 H new ATOM 0 HA THR A 79 11.644 -6.451 -13.029 1.00 3.45 H new ATOM 0 HB THR A 79 9.999 -8.212 -13.570 1.00 14.21 H new ATOM 0 HG1 THR A 79 9.694 -9.709 -11.539 1.00 32.23 H new ATOM 0 HG21 THR A 79 11.368 -10.179 -12.948 1.00 42.34 H new ATOM 0 HG22 THR A 79 12.377 -8.818 -13.491 1.00 42.34 H new ATOM 0 HG23 THR A 79 12.239 -9.186 -11.755 1.00 42.34 H new ATOM 1233 N ALA A 80 9.369 -5.329 -13.409 1.00 53.03 N ATOM 1234 CA ALA A 80 8.228 -4.404 -13.530 1.00 32.15 C ATOM 1235 C ALA A 80 6.869 -5.112 -13.358 1.00 20.11 C ATOM 1236 O ALA A 80 5.810 -4.489 -13.488 1.00 22.35 O ATOM 1237 CB ALA A 80 8.288 -3.678 -14.870 1.00 41.43 C ATOM 0 H ALA A 80 9.863 -5.498 -14.285 1.00 53.03 H new ATOM 0 HA ALA A 80 8.308 -3.681 -12.719 1.00 32.15 H new ATOM 0 HB1 ALA A 80 7.442 -2.996 -14.953 1.00 41.43 H new ATOM 0 HB2 ALA A 80 9.217 -3.112 -14.936 1.00 41.43 H new ATOM 0 HB3 ALA A 80 8.248 -4.406 -15.680 1.00 41.43 H new ATOM 1243 N SER A 81 6.912 -6.414 -13.076 1.00 52.31 N ATOM 1244 CA SER A 81 5.711 -7.212 -12.781 1.00 2.51 C ATOM 1245 C SER A 81 6.108 -8.599 -12.250 1.00 53.44 C ATOM 1246 O SER A 81 6.244 -9.553 -13.020 1.00 73.41 O ATOM 1247 CB SER A 81 4.818 -7.358 -14.022 1.00 2.14 C ATOM 1248 OG SER A 81 3.688 -8.178 -13.752 1.00 20.51 O ATOM 0 H SER A 81 7.779 -6.950 -13.044 1.00 52.31 H new ATOM 0 HA SER A 81 5.141 -6.686 -12.015 1.00 2.51 H new ATOM 0 HB2 SER A 81 4.485 -6.374 -14.351 1.00 2.14 H new ATOM 0 HB3 SER A 81 5.396 -7.789 -14.840 1.00 2.14 H new ATOM 0 HG SER A 81 3.731 -8.987 -14.304 1.00 20.51 H new ATOM 1254 N PRO A 82 6.340 -8.712 -10.923 1.00 12.45 N ATOM 1255 CA PRO A 82 6.798 -9.969 -10.281 1.00 20.31 C ATOM 1256 C PRO A 82 5.943 -11.236 -10.576 1.00 51.25 C ATOM 1257 O PRO A 82 6.511 -12.278 -10.906 1.00 61.04 O ATOM 1258 CB PRO A 82 6.790 -9.624 -8.783 1.00 74.53 C ATOM 1259 CG PRO A 82 6.957 -8.140 -8.737 1.00 25.51 C ATOM 1260 CD PRO A 82 6.227 -7.608 -9.942 1.00 52.30 C ATOM 0 HA PRO A 82 7.771 -10.259 -10.678 1.00 20.31 H new ATOM 0 HB2 PRO A 82 5.858 -9.933 -8.310 1.00 74.53 H new ATOM 0 HB3 PRO A 82 7.598 -10.130 -8.255 1.00 74.53 H new ATOM 0 HG2 PRO A 82 6.544 -7.728 -7.816 1.00 25.51 H new ATOM 0 HG3 PRO A 82 8.011 -7.864 -8.765 1.00 25.51 H new ATOM 0 HD2 PRO A 82 5.186 -7.378 -9.713 1.00 52.30 H new ATOM 0 HD3 PRO A 82 6.681 -6.690 -10.315 1.00 52.30 H new ATOM 1268 N PRO A 83 4.583 -11.209 -10.488 1.00 71.00 N ATOM 1269 CA PRO A 83 3.758 -10.039 -10.165 1.00 72.11 C ATOM 1270 C PRO A 83 3.240 -9.997 -8.709 1.00 33.40 C ATOM 1271 O PRO A 83 2.244 -9.328 -8.429 1.00 14.34 O ATOM 1272 CB PRO A 83 2.593 -10.244 -11.133 1.00 60.30 C ATOM 1273 CG PRO A 83 2.403 -11.734 -11.189 1.00 24.12 C ATOM 1274 CD PRO A 83 3.714 -12.367 -10.756 1.00 43.25 C ATOM 0 HA PRO A 83 4.311 -9.104 -10.256 1.00 72.11 H new ATOM 0 HB2 PRO A 83 1.692 -9.743 -10.780 1.00 60.30 H new ATOM 0 HB3 PRO A 83 2.820 -9.836 -12.118 1.00 60.30 H new ATOM 0 HG2 PRO A 83 1.590 -12.044 -10.532 1.00 24.12 H new ATOM 0 HG3 PRO A 83 2.137 -12.051 -12.197 1.00 24.12 H new ATOM 0 HD2 PRO A 83 3.587 -12.987 -9.869 1.00 43.25 H new ATOM 0 HD3 PRO A 83 4.127 -13.007 -11.535 1.00 43.25 H new ATOM 1282 N THR A 84 3.902 -10.708 -7.793 1.00 12.40 N ATOM 1283 CA THR A 84 3.492 -10.718 -6.371 1.00 4.31 C ATOM 1284 C THR A 84 3.426 -9.302 -5.768 1.00 24.32 C ATOM 1285 O THR A 84 2.511 -8.986 -5.010 1.00 24.12 O ATOM 1286 CB THR A 84 4.427 -11.594 -5.493 1.00 51.11 C ATOM 1287 OG1 THR A 84 3.973 -11.606 -4.128 1.00 61.32 O ATOM 1288 CG2 THR A 84 5.874 -11.104 -5.542 1.00 62.22 C ATOM 0 H THR A 84 4.719 -11.283 -8.000 1.00 12.40 H new ATOM 0 HA THR A 84 2.492 -11.151 -6.366 1.00 4.31 H new ATOM 0 HB THR A 84 4.393 -12.605 -5.899 1.00 51.11 H new ATOM 0 HG1 THR A 84 4.572 -12.164 -3.589 1.00 61.32 H new ATOM 0 HG21 THR A 84 6.496 -11.743 -4.915 1.00 62.22 H new ATOM 0 HG22 THR A 84 6.236 -11.141 -6.569 1.00 62.22 H new ATOM 0 HG23 THR A 84 5.923 -10.078 -5.176 1.00 62.22 H new ATOM 1296 N ASP A 85 4.406 -8.461 -6.098 1.00 70.34 N ATOM 1297 CA ASP A 85 4.421 -7.065 -5.645 1.00 20.53 C ATOM 1298 C ASP A 85 3.863 -6.121 -6.725 1.00 1.55 C ATOM 1299 O ASP A 85 3.748 -6.490 -7.897 1.00 63.10 O ATOM 1300 CB ASP A 85 5.847 -6.632 -5.272 1.00 64.40 C ATOM 1301 CG ASP A 85 6.423 -7.407 -4.095 1.00 70.15 C ATOM 1302 OD1 ASP A 85 5.730 -7.542 -3.065 1.00 72.54 O ATOM 1303 OD2 ASP A 85 7.589 -7.849 -4.183 1.00 45.53 O ATOM 0 H ASP A 85 5.203 -8.721 -6.679 1.00 70.34 H new ATOM 0 HA ASP A 85 3.783 -7.001 -4.764 1.00 20.53 H new ATOM 0 HB2 ASP A 85 6.497 -6.763 -6.137 1.00 64.40 H new ATOM 0 HB3 ASP A 85 5.845 -5.569 -5.032 1.00 64.40 H new ATOM 1308 N LEU A 86 3.527 -4.896 -6.326 1.00 31.23 N ATOM 1309 CA LEU A 86 2.976 -3.896 -7.252 1.00 34.12 C ATOM 1310 C LEU A 86 3.892 -2.667 -7.359 1.00 21.10 C ATOM 1311 O LEU A 86 4.253 -2.055 -6.355 1.00 43.44 O ATOM 1312 CB LEU A 86 1.574 -3.467 -6.798 1.00 41.23 C ATOM 1313 CG LEU A 86 0.487 -4.555 -6.878 1.00 24.43 C ATOM 1314 CD1 LEU A 86 -0.836 -4.033 -6.330 1.00 72.23 C ATOM 1315 CD2 LEU A 86 0.316 -5.040 -8.316 1.00 14.14 C ATOM 0 H LEU A 86 3.625 -4.567 -5.366 1.00 31.23 H new ATOM 0 HA LEU A 86 2.910 -4.356 -8.238 1.00 34.12 H new ATOM 0 HB2 LEU A 86 1.637 -3.116 -5.768 1.00 41.23 H new ATOM 0 HB3 LEU A 86 1.259 -2.618 -7.405 1.00 41.23 H new ATOM 0 HG LEU A 86 0.804 -5.400 -6.266 1.00 24.43 H new ATOM 0 HD11 LEU A 86 -1.591 -4.816 -6.395 1.00 72.23 H new ATOM 0 HD12 LEU A 86 -0.708 -3.739 -5.288 1.00 72.23 H new ATOM 0 HD13 LEU A 86 -1.157 -3.170 -6.914 1.00 72.23 H new ATOM 0 HD21 LEU A 86 -0.456 -5.808 -8.351 1.00 14.14 H new ATOM 0 HD22 LEU A 86 0.024 -4.203 -8.950 1.00 14.14 H new ATOM 0 HD23 LEU A 86 1.258 -5.456 -8.674 1.00 14.14 H new ATOM 1327 N ILE A 87 4.266 -2.317 -8.586 1.00 25.13 N ATOM 1328 CA ILE A 87 5.125 -1.158 -8.839 1.00 61.31 C ATOM 1329 C ILE A 87 4.284 0.104 -9.095 1.00 64.51 C ATOM 1330 O ILE A 87 3.384 0.102 -9.940 1.00 62.32 O ATOM 1331 CB ILE A 87 6.066 -1.407 -10.057 1.00 61.31 C ATOM 1332 CG1 ILE A 87 7.141 -2.467 -9.730 1.00 51.51 C ATOM 1333 CG2 ILE A 87 6.728 -0.108 -10.518 1.00 43.22 C ATOM 1334 CD1 ILE A 87 6.602 -3.867 -9.506 1.00 11.31 C ATOM 0 H ILE A 87 3.987 -2.821 -9.428 1.00 25.13 H new ATOM 0 HA ILE A 87 5.734 -1.008 -7.948 1.00 61.31 H new ATOM 0 HB ILE A 87 5.448 -1.787 -10.870 1.00 61.31 H new ATOM 0 HG12 ILE A 87 7.863 -2.496 -10.546 1.00 51.51 H new ATOM 0 HG13 ILE A 87 7.682 -2.153 -8.837 1.00 51.51 H new ATOM 0 HG21 ILE A 87 7.378 -0.313 -11.368 1.00 43.22 H new ATOM 0 HG22 ILE A 87 5.960 0.607 -10.812 1.00 43.22 H new ATOM 0 HG23 ILE A 87 7.318 0.309 -9.702 1.00 43.22 H new ATOM 0 HD11 ILE A 87 7.427 -4.543 -9.283 1.00 11.31 H new ATOM 0 HD12 ILE A 87 5.903 -3.858 -8.669 1.00 11.31 H new ATOM 0 HD13 ILE A 87 6.088 -4.207 -10.405 1.00 11.31 H new ATOM 1346 N TRP A 88 4.574 1.172 -8.356 1.00 53.31 N ATOM 1347 CA TRP A 88 3.885 2.453 -8.538 1.00 11.55 C ATOM 1348 C TRP A 88 4.292 3.089 -9.879 1.00 50.34 C ATOM 1349 O TRP A 88 5.137 3.982 -9.930 1.00 50.03 O ATOM 1350 CB TRP A 88 4.204 3.405 -7.370 1.00 3.05 C ATOM 1351 CG TRP A 88 3.179 4.488 -7.163 1.00 61.41 C ATOM 1352 CD1 TRP A 88 2.776 5.433 -8.064 1.00 53.11 C ATOM 1353 CD2 TRP A 88 2.434 4.739 -5.962 1.00 70.44 C ATOM 1354 NE1 TRP A 88 1.817 6.241 -7.503 1.00 14.23 N ATOM 1355 CE2 TRP A 88 1.592 5.837 -6.213 1.00 31.11 C ATOM 1356 CE3 TRP A 88 2.394 4.136 -4.701 1.00 12.14 C ATOM 1357 CZ2 TRP A 88 0.720 6.344 -5.252 1.00 41.40 C ATOM 1358 CZ3 TRP A 88 1.530 4.642 -3.748 1.00 31.20 C ATOM 1359 CH2 TRP A 88 0.702 5.736 -4.029 1.00 51.11 C ATOM 0 H TRP A 88 5.283 1.178 -7.623 1.00 53.31 H new ATOM 0 HA TRP A 88 2.810 2.273 -8.551 1.00 11.55 H new ATOM 0 HB2 TRP A 88 4.291 2.822 -6.453 1.00 3.05 H new ATOM 0 HB3 TRP A 88 5.175 3.867 -7.547 1.00 3.05 H new ATOM 0 HD1 TRP A 88 3.156 5.530 -9.070 1.00 53.11 H new ATOM 0 HE1 TRP A 88 1.348 7.016 -7.971 1.00 14.23 H new ATOM 0 HE3 TRP A 88 3.027 3.290 -4.476 1.00 12.14 H new ATOM 0 HZ2 TRP A 88 0.081 7.188 -5.466 1.00 41.40 H new ATOM 0 HZ3 TRP A 88 1.493 4.186 -2.770 1.00 31.20 H new ATOM 0 HH2 TRP A 88 0.036 6.106 -3.264 1.00 51.11 H new ATOM 1370 N LYS A 89 3.690 2.605 -10.963 1.00 73.14 N ATOM 1371 CA LYS A 89 4.048 3.031 -12.325 1.00 31.10 C ATOM 1372 C LYS A 89 3.890 4.546 -12.538 1.00 1.11 C ATOM 1373 O LYS A 89 4.509 5.119 -13.434 1.00 24.43 O ATOM 1374 CB LYS A 89 3.190 2.269 -13.343 1.00 33.40 C ATOM 1375 CG LYS A 89 3.309 0.751 -13.227 1.00 42.41 C ATOM 1376 CD LYS A 89 2.468 0.021 -14.275 1.00 51.24 C ATOM 1377 CE LYS A 89 2.911 0.358 -15.696 1.00 30.15 C ATOM 1378 NZ LYS A 89 2.180 -0.435 -16.720 1.00 3.41 N ATOM 0 H LYS A 89 2.944 1.910 -10.929 1.00 73.14 H new ATOM 0 HA LYS A 89 5.103 2.799 -12.469 1.00 31.10 H new ATOM 0 HB2 LYS A 89 2.146 2.554 -13.212 1.00 33.40 H new ATOM 0 HB3 LYS A 89 3.480 2.572 -14.349 1.00 33.40 H new ATOM 0 HG2 LYS A 89 4.354 0.461 -13.337 1.00 42.41 H new ATOM 0 HG3 LYS A 89 2.995 0.439 -12.231 1.00 42.41 H new ATOM 0 HD2 LYS A 89 2.544 -1.055 -14.117 1.00 51.24 H new ATOM 0 HD3 LYS A 89 1.419 0.288 -14.149 1.00 51.24 H new ATOM 0 HE2 LYS A 89 2.752 1.420 -15.881 1.00 30.15 H new ATOM 0 HE3 LYS A 89 3.981 0.174 -15.793 1.00 30.15 H new ATOM 0 HZ1 LYS A 89 2.515 -0.171 -17.668 1.00 3.41 H new ATOM 0 HZ2 LYS A 89 2.352 -1.448 -16.562 1.00 3.41 H new ATOM 0 HZ3 LYS A 89 1.161 -0.241 -16.647 1.00 3.41 H new ATOM 1392 N ASN A 90 3.067 5.189 -11.714 1.00 24.33 N ATOM 1393 CA ASN A 90 2.796 6.624 -11.857 1.00 61.15 C ATOM 1394 C ASN A 90 3.971 7.502 -11.381 1.00 15.11 C ATOM 1395 O ASN A 90 4.104 8.648 -11.816 1.00 22.53 O ATOM 1396 CB ASN A 90 1.530 7.013 -11.081 1.00 24.43 C ATOM 1397 CG ASN A 90 0.301 6.231 -11.512 1.00 42.32 C ATOM 1398 OD1 ASN A 90 0.376 5.052 -11.839 1.00 14.01 O ATOM 1399 ND2 ASN A 90 -0.838 6.890 -11.535 1.00 14.13 N ATOM 0 H ASN A 90 2.575 4.743 -10.940 1.00 24.33 H new ATOM 0 HA ASN A 90 2.654 6.805 -12.922 1.00 61.15 H new ATOM 0 HB2 ASN A 90 1.700 6.852 -10.016 1.00 24.43 H new ATOM 0 HB3 ASN A 90 1.341 8.078 -11.216 1.00 24.43 H new ATOM 0 HD21 ASN A 90 -1.693 6.420 -11.831 1.00 14.13 H new ATOM 0 HD22 ASN A 90 -0.865 7.871 -11.256 1.00 14.13 H new ATOM 1406 N GLN A 91 4.824 6.978 -10.497 1.00 35.34 N ATOM 1407 CA GLN A 91 5.879 7.801 -9.878 1.00 31.13 C ATOM 1408 C GLN A 91 7.175 7.014 -9.598 1.00 5.14 C ATOM 1409 O GLN A 91 7.158 5.805 -9.355 1.00 35.13 O ATOM 1410 CB GLN A 91 5.352 8.422 -8.571 1.00 74.31 C ATOM 1411 CG GLN A 91 6.361 9.316 -7.851 1.00 15.13 C ATOM 1412 CD GLN A 91 5.845 9.854 -6.527 1.00 32.24 C ATOM 1413 OE1 GLN A 91 5.035 9.222 -5.856 1.00 14.02 O ATOM 1414 NE2 GLN A 91 6.320 11.020 -6.130 1.00 12.13 N ATOM 0 H GLN A 91 4.811 6.004 -10.194 1.00 35.34 H new ATOM 0 HA GLN A 91 6.134 8.582 -10.594 1.00 31.13 H new ATOM 0 HB2 GLN A 91 4.459 9.007 -8.794 1.00 74.31 H new ATOM 0 HB3 GLN A 91 5.048 7.620 -7.898 1.00 74.31 H new ATOM 0 HG2 GLN A 91 7.276 8.751 -7.674 1.00 15.13 H new ATOM 0 HG3 GLN A 91 6.623 10.153 -8.499 1.00 15.13 H new ATOM 0 HE21 GLN A 91 6.993 11.521 -6.711 1.00 12.13 H new ATOM 0 HE22 GLN A 91 6.015 11.420 -5.243 1.00 12.13 H new ATOM 1423 N ASN A 92 8.303 7.725 -9.643 1.00 71.12 N ATOM 1424 CA ASN A 92 9.608 7.166 -9.272 1.00 31.52 C ATOM 1425 C ASN A 92 9.730 7.042 -7.738 1.00 44.52 C ATOM 1426 O ASN A 92 8.760 7.257 -7.015 1.00 21.42 O ATOM 1427 CB ASN A 92 10.726 8.061 -9.828 1.00 61.13 C ATOM 1428 CG ASN A 92 10.667 8.196 -11.344 1.00 42.21 C ATOM 1429 OD1 ASN A 92 10.950 9.251 -11.899 1.00 14.41 O ATOM 1430 ND2 ASN A 92 10.320 7.124 -12.030 1.00 43.02 N ATOM 0 H ASN A 92 8.340 8.701 -9.936 1.00 71.12 H new ATOM 0 HA ASN A 92 9.701 6.168 -9.700 1.00 31.52 H new ATOM 0 HB2 ASN A 92 10.654 9.050 -9.376 1.00 61.13 H new ATOM 0 HB3 ASN A 92 11.693 7.649 -9.541 1.00 61.13 H new ATOM 0 HD21 ASN A 92 10.282 7.160 -13.049 1.00 43.02 H new ATOM 0 HD22 ASN A 92 10.089 6.259 -11.542 1.00 43.02 H new ATOM 1437 N SER A 93 10.917 6.699 -7.239 1.00 21.11 N ATOM 1438 CA SER A 93 11.110 6.514 -5.787 1.00 61.40 C ATOM 1439 C SER A 93 11.159 7.863 -5.057 1.00 51.44 C ATOM 1440 O SER A 93 11.715 8.838 -5.570 1.00 44.52 O ATOM 1441 CB SER A 93 12.395 5.727 -5.503 1.00 5.24 C ATOM 1442 OG SER A 93 12.532 5.441 -4.118 1.00 24.34 O ATOM 0 H SER A 93 11.753 6.544 -7.803 1.00 21.11 H new ATOM 0 HA SER A 93 10.257 5.947 -5.415 1.00 61.40 H new ATOM 0 HB2 SER A 93 12.386 4.796 -6.069 1.00 5.24 H new ATOM 0 HB3 SER A 93 13.257 6.299 -5.845 1.00 5.24 H new ATOM 0 HG SER A 93 13.359 4.937 -3.968 1.00 24.34 H new ATOM 1448 N TRP A 94 10.577 7.920 -3.858 1.00 61.34 N ATOM 1449 CA TRP A 94 10.530 9.163 -3.079 1.00 73.43 C ATOM 1450 C TRP A 94 11.226 9.009 -1.711 1.00 71.21 C ATOM 1451 O TRP A 94 10.682 8.431 -0.772 1.00 62.22 O ATOM 1452 CB TRP A 94 9.069 9.641 -2.915 1.00 23.14 C ATOM 1453 CG TRP A 94 8.162 8.679 -2.191 1.00 32.32 C ATOM 1454 CD1 TRP A 94 7.761 8.759 -0.887 1.00 10.01 C ATOM 1455 CD2 TRP A 94 7.540 7.503 -2.728 1.00 74.14 C ATOM 1456 NE1 TRP A 94 6.938 7.706 -0.580 1.00 32.12 N ATOM 1457 CE2 TRP A 94 6.787 6.919 -1.691 1.00 63.12 C ATOM 1458 CE3 TRP A 94 7.550 6.886 -3.982 1.00 12.00 C ATOM 1459 CZ2 TRP A 94 6.051 5.751 -1.871 1.00 23.44 C ATOM 1460 CZ3 TRP A 94 6.819 5.726 -4.159 1.00 21.00 C ATOM 1461 CH2 TRP A 94 6.080 5.167 -3.107 1.00 4.32 C ATOM 0 H TRP A 94 10.132 7.123 -3.404 1.00 61.34 H new ATOM 0 HA TRP A 94 11.081 9.924 -3.631 1.00 73.43 H new ATOM 0 HB2 TRP A 94 9.071 10.589 -2.378 1.00 23.14 H new ATOM 0 HB3 TRP A 94 8.653 9.835 -3.904 1.00 23.14 H new ATOM 0 HD1 TRP A 94 8.050 9.539 -0.198 1.00 10.01 H new ATOM 0 HE1 TRP A 94 6.508 7.536 0.329 1.00 32.12 H new ATOM 0 HE3 TRP A 94 8.118 7.308 -4.798 1.00 12.00 H new ATOM 0 HZ2 TRP A 94 5.477 5.321 -1.063 1.00 23.44 H new ATOM 0 HZ3 TRP A 94 6.817 5.242 -5.124 1.00 21.00 H new ATOM 0 HH2 TRP A 94 5.523 4.257 -3.276 1.00 4.32 H new ATOM 1472 N GLY A 95 12.453 9.511 -1.618 1.00 75.22 N ATOM 1473 CA GLY A 95 13.192 9.481 -0.359 1.00 11.05 C ATOM 1474 C GLY A 95 13.288 10.858 0.280 1.00 11.00 C ATOM 1475 O GLY A 95 13.560 11.846 -0.407 1.00 64.05 O ATOM 0 H GLY A 95 12.955 9.942 -2.394 1.00 75.22 H new ATOM 0 HA2 GLY A 95 12.703 8.794 0.332 1.00 11.05 H new ATOM 0 HA3 GLY A 95 14.195 9.093 -0.537 1.00 11.05 H new ATOM 1479 N THR A 96 13.064 10.938 1.591 1.00 73.44 N ATOM 1480 CA THR A 96 13.067 12.234 2.288 1.00 34.04 C ATOM 1481 C THR A 96 13.010 12.090 3.815 1.00 42.02 C ATOM 1482 O THR A 96 13.714 12.794 4.537 1.00 72.44 O ATOM 1483 CB THR A 96 11.886 13.132 1.827 1.00 72.53 C ATOM 1484 OG1 THR A 96 11.856 14.349 2.586 1.00 3.31 O ATOM 1485 CG2 THR A 96 10.542 12.416 1.967 1.00 73.13 C ATOM 0 H THR A 96 12.880 10.134 2.191 1.00 73.44 H new ATOM 0 HA THR A 96 14.014 12.704 2.022 1.00 34.04 H new ATOM 0 HB THR A 96 12.046 13.359 0.773 1.00 72.53 H new ATOM 0 HG1 THR A 96 11.108 14.905 2.283 1.00 3.31 H new ATOM 0 HG21 THR A 96 9.741 13.077 1.635 1.00 73.13 H new ATOM 0 HG22 THR A 96 10.545 11.514 1.356 1.00 73.13 H new ATOM 0 HG23 THR A 96 10.380 12.147 3.011 1.00 73.13 H new ATOM 1493 N GLY A 97 12.168 11.182 4.308 1.00 64.23 N ATOM 1494 CA GLY A 97 11.973 11.040 5.751 1.00 31.12 C ATOM 1495 C GLY A 97 10.779 11.840 6.275 1.00 34.14 C ATOM 1496 O GLY A 97 10.318 11.614 7.395 1.00 35.24 O ATOM 0 H GLY A 97 11.616 10.541 3.738 1.00 64.23 H new ATOM 0 HA2 GLY A 97 11.830 9.986 5.991 1.00 31.12 H new ATOM 0 HA3 GLY A 97 12.876 11.365 6.268 1.00 31.12 H new ATOM 1500 N GLU A 98 10.289 12.785 5.467 1.00 54.02 N ATOM 1501 CA GLU A 98 9.092 13.566 5.811 1.00 64.14 C ATOM 1502 C GLU A 98 7.888 12.651 6.075 1.00 3.34 C ATOM 1503 O GLU A 98 7.595 11.752 5.285 1.00 41.01 O ATOM 1504 CB GLU A 98 8.751 14.549 4.678 1.00 71.15 C ATOM 1505 CG GLU A 98 9.755 15.685 4.509 1.00 30.33 C ATOM 1506 CD GLU A 98 9.729 16.673 5.666 1.00 1.40 C ATOM 1507 OE1 GLU A 98 8.875 17.585 5.656 1.00 15.43 O ATOM 1508 OE2 GLU A 98 10.559 16.541 6.589 1.00 32.12 O ATOM 0 H GLU A 98 10.703 13.030 4.567 1.00 54.02 H new ATOM 0 HA GLU A 98 9.311 14.123 6.722 1.00 64.14 H new ATOM 0 HB2 GLU A 98 8.684 13.996 3.741 1.00 71.15 H new ATOM 0 HB3 GLU A 98 7.766 14.976 4.867 1.00 71.15 H new ATOM 0 HG2 GLU A 98 10.757 15.267 4.417 1.00 30.33 H new ATOM 0 HG3 GLU A 98 9.544 16.215 3.580 1.00 30.33 H new ATOM 1515 N ASP A 99 7.191 12.895 7.180 1.00 3.33 N ATOM 1516 CA ASP A 99 6.044 12.073 7.566 1.00 61.15 C ATOM 1517 C ASP A 99 4.927 12.111 6.512 1.00 40.43 C ATOM 1518 O ASP A 99 4.309 13.153 6.269 1.00 35.44 O ATOM 1519 CB ASP A 99 5.512 12.513 8.930 1.00 12.44 C ATOM 1520 CG ASP A 99 6.531 12.282 10.030 1.00 62.34 C ATOM 1521 OD1 ASP A 99 6.698 11.122 10.448 1.00 1.53 O ATOM 1522 OD2 ASP A 99 7.176 13.261 10.470 1.00 62.20 O ATOM 0 H ASP A 99 7.399 13.656 7.827 1.00 3.33 H new ATOM 0 HA ASP A 99 6.388 11.041 7.634 1.00 61.15 H new ATOM 0 HB2 ASP A 99 5.248 13.570 8.894 1.00 12.44 H new ATOM 0 HB3 ASP A 99 4.599 11.964 9.159 1.00 12.44 H new ATOM 1527 N VAL A 100 4.679 10.961 5.892 1.00 21.13 N ATOM 1528 CA VAL A 100 3.643 10.829 4.863 1.00 61.13 C ATOM 1529 C VAL A 100 2.416 10.072 5.396 1.00 72.12 C ATOM 1530 O VAL A 100 2.549 9.060 6.088 1.00 62.51 O ATOM 1531 CB VAL A 100 4.193 10.105 3.603 1.00 52.22 C ATOM 1532 CG1 VAL A 100 4.851 8.777 3.973 1.00 71.52 C ATOM 1533 CG2 VAL A 100 3.091 9.889 2.566 1.00 1.15 C ATOM 0 H VAL A 100 5.185 10.097 6.085 1.00 21.13 H new ATOM 0 HA VAL A 100 3.338 11.838 4.587 1.00 61.13 H new ATOM 0 HB VAL A 100 4.954 10.748 3.161 1.00 52.22 H new ATOM 0 HG11 VAL A 100 5.226 8.293 3.071 1.00 71.52 H new ATOM 0 HG12 VAL A 100 5.679 8.960 4.658 1.00 71.52 H new ATOM 0 HG13 VAL A 100 4.118 8.129 4.454 1.00 71.52 H new ATOM 0 HG21 VAL A 100 3.505 9.380 1.695 1.00 1.15 H new ATOM 0 HG22 VAL A 100 2.298 9.279 2.999 1.00 1.15 H new ATOM 0 HG23 VAL A 100 2.683 10.853 2.263 1.00 1.15 H new ATOM 1543 N LYS A 101 1.220 10.567 5.072 1.00 44.35 N ATOM 1544 CA LYS A 101 -0.029 9.913 5.482 1.00 33.04 C ATOM 1545 C LYS A 101 -0.809 9.425 4.254 1.00 62.32 C ATOM 1546 O LYS A 101 -0.988 10.155 3.281 1.00 64.32 O ATOM 1547 CB LYS A 101 -0.879 10.869 6.339 1.00 34.11 C ATOM 1548 CG LYS A 101 -2.172 10.247 6.875 1.00 62.21 C ATOM 1549 CD LYS A 101 -2.596 10.860 8.212 1.00 72.13 C ATOM 1550 CE LYS A 101 -2.817 12.368 8.129 1.00 74.32 C ATOM 1551 NZ LYS A 101 -3.968 12.718 7.256 1.00 41.44 N ATOM 0 H LYS A 101 1.088 11.419 4.527 1.00 44.35 H new ATOM 0 HA LYS A 101 0.215 9.042 6.091 1.00 33.04 H new ATOM 0 HB2 LYS A 101 -0.279 11.216 7.181 1.00 34.11 H new ATOM 0 HB3 LYS A 101 -1.130 11.747 5.744 1.00 34.11 H new ATOM 0 HG2 LYS A 101 -2.969 10.384 6.145 1.00 62.21 H new ATOM 0 HG3 LYS A 101 -2.033 9.173 6.997 1.00 62.21 H new ATOM 0 HD2 LYS A 101 -3.515 10.381 8.551 1.00 72.13 H new ATOM 0 HD3 LYS A 101 -1.832 10.650 8.961 1.00 72.13 H new ATOM 0 HE2 LYS A 101 -2.988 12.764 9.130 1.00 74.32 H new ATOM 0 HE3 LYS A 101 -1.915 12.846 7.747 1.00 74.32 H new ATOM 0 HZ1 LYS A 101 -4.102 13.749 7.256 1.00 41.44 H new ATOM 0 HZ2 LYS A 101 -3.780 12.393 6.286 1.00 41.44 H new ATOM 0 HZ3 LYS A 101 -4.828 12.257 7.615 1.00 41.44 H new ATOM 1565 N VAL A 102 -1.268 8.180 4.303 1.00 21.21 N ATOM 1566 CA VAL A 102 -1.893 7.533 3.146 1.00 35.32 C ATOM 1567 C VAL A 102 -3.280 6.942 3.479 1.00 31.33 C ATOM 1568 O VAL A 102 -3.499 6.390 4.561 1.00 3.40 O ATOM 1569 CB VAL A 102 -0.966 6.422 2.585 1.00 33.05 C ATOM 1570 CG1 VAL A 102 -0.528 5.470 3.692 1.00 12.22 C ATOM 1571 CG2 VAL A 102 -1.645 5.657 1.453 1.00 21.04 C ATOM 0 H VAL A 102 -1.220 7.592 5.135 1.00 21.21 H new ATOM 0 HA VAL A 102 -2.040 8.305 2.390 1.00 35.32 H new ATOM 0 HB VAL A 102 -0.077 6.905 2.178 1.00 33.05 H new ATOM 0 HG11 VAL A 102 0.121 4.700 3.274 1.00 12.22 H new ATOM 0 HG12 VAL A 102 0.014 6.026 4.457 1.00 12.22 H new ATOM 0 HG13 VAL A 102 -1.406 5.002 4.138 1.00 12.22 H new ATOM 0 HG21 VAL A 102 -0.971 4.885 1.080 1.00 21.04 H new ATOM 0 HG22 VAL A 102 -2.559 5.193 1.824 1.00 21.04 H new ATOM 0 HG23 VAL A 102 -1.891 6.346 0.645 1.00 21.04 H new ATOM 1581 N ILE A 103 -4.208 7.069 2.526 1.00 60.13 N ATOM 1582 CA ILE A 103 -5.587 6.588 2.683 1.00 32.01 C ATOM 1583 C ILE A 103 -5.850 5.330 1.832 1.00 13.12 C ATOM 1584 O ILE A 103 -5.385 5.230 0.692 1.00 54.02 O ATOM 1585 CB ILE A 103 -6.596 7.689 2.258 1.00 25.32 C ATOM 1586 CG1 ILE A 103 -6.365 8.982 3.064 1.00 23.45 C ATOM 1587 CG2 ILE A 103 -8.038 7.202 2.409 1.00 42.21 C ATOM 1588 CD1 ILE A 103 -6.534 8.817 4.560 1.00 20.14 C ATOM 0 H ILE A 103 -4.026 7.508 1.623 1.00 60.13 H new ATOM 0 HA ILE A 103 -5.721 6.339 3.736 1.00 32.01 H new ATOM 0 HB ILE A 103 -6.428 7.911 1.204 1.00 25.32 H new ATOM 0 HG12 ILE A 103 -5.359 9.349 2.861 1.00 23.45 H new ATOM 0 HG13 ILE A 103 -7.059 9.745 2.713 1.00 23.45 H new ATOM 0 HG21 ILE A 103 -8.723 7.993 2.104 1.00 42.21 H new ATOM 0 HG22 ILE A 103 -8.194 6.325 1.780 1.00 42.21 H new ATOM 0 HG23 ILE A 103 -8.226 6.940 3.450 1.00 42.21 H new ATOM 0 HD11 ILE A 103 -6.355 9.772 5.054 1.00 20.14 H new ATOM 0 HD12 ILE A 103 -7.548 8.481 4.777 1.00 20.14 H new ATOM 0 HD13 ILE A 103 -5.821 8.079 4.927 1.00 20.14 H new ATOM 1600 N LEU A 104 -6.604 4.375 2.384 1.00 11.41 N ATOM 1601 CA LEU A 104 -6.999 3.166 1.641 1.00 12.03 C ATOM 1602 C LEU A 104 -8.503 3.161 1.322 1.00 21.02 C ATOM 1603 O LEU A 104 -9.340 3.098 2.227 1.00 53.13 O ATOM 1604 CB LEU A 104 -6.651 1.896 2.434 1.00 50.31 C ATOM 1605 CG LEU A 104 -5.152 1.627 2.647 1.00 32.20 C ATOM 1606 CD1 LEU A 104 -4.951 0.322 3.417 1.00 70.04 C ATOM 1607 CD2 LEU A 104 -4.413 1.589 1.308 1.00 53.51 C ATOM 0 H LEU A 104 -6.955 4.412 3.341 1.00 11.41 H new ATOM 0 HA LEU A 104 -6.442 3.176 0.704 1.00 12.03 H new ATOM 0 HB2 LEU A 104 -7.132 1.957 3.410 1.00 50.31 H new ATOM 0 HB3 LEU A 104 -7.085 1.039 1.919 1.00 50.31 H new ATOM 0 HG LEU A 104 -4.735 2.442 3.238 1.00 32.20 H new ATOM 0 HD11 LEU A 104 -3.885 0.145 3.560 1.00 70.04 H new ATOM 0 HD12 LEU A 104 -5.441 0.393 4.388 1.00 70.04 H new ATOM 0 HD13 LEU A 104 -5.384 -0.504 2.852 1.00 70.04 H new ATOM 0 HD21 LEU A 104 -3.354 1.397 1.482 1.00 53.51 H new ATOM 0 HD22 LEU A 104 -4.828 0.796 0.686 1.00 53.51 H new ATOM 0 HD23 LEU A 104 -4.530 2.547 0.801 1.00 53.51 H new ATOM 1619 N LYS A 105 -8.836 3.226 0.035 1.00 54.24 N ATOM 1620 CA LYS A 105 -10.228 3.120 -0.420 1.00 4.34 C ATOM 1621 C LYS A 105 -10.502 1.757 -1.076 1.00 15.22 C ATOM 1622 O LYS A 105 -9.667 1.228 -1.809 1.00 4.22 O ATOM 1623 CB LYS A 105 -10.568 4.243 -1.411 1.00 73.52 C ATOM 1624 CG LYS A 105 -10.733 5.617 -0.767 1.00 73.20 C ATOM 1625 CD LYS A 105 -11.206 6.657 -1.784 1.00 0.31 C ATOM 1626 CE LYS A 105 -11.547 7.988 -1.125 1.00 11.00 C ATOM 1627 NZ LYS A 105 -12.634 7.850 -0.117 1.00 4.54 N ATOM 0 H LYS A 105 -8.160 3.352 -0.718 1.00 54.24 H new ATOM 0 HA LYS A 105 -10.862 3.216 0.461 1.00 4.34 H new ATOM 0 HB2 LYS A 105 -9.781 4.299 -2.163 1.00 73.52 H new ATOM 0 HB3 LYS A 105 -11.490 3.985 -1.932 1.00 73.52 H new ATOM 0 HG2 LYS A 105 -11.451 5.553 0.051 1.00 73.20 H new ATOM 0 HG3 LYS A 105 -9.784 5.934 -0.335 1.00 73.20 H new ATOM 0 HD2 LYS A 105 -10.429 6.812 -2.532 1.00 0.31 H new ATOM 0 HD3 LYS A 105 -12.083 6.278 -2.309 1.00 0.31 H new ATOM 0 HE2 LYS A 105 -10.656 8.393 -0.644 1.00 11.00 H new ATOM 0 HE3 LYS A 105 -11.850 8.704 -1.889 1.00 11.00 H new ATOM 0 HZ1 LYS A 105 -13.276 8.665 -0.185 1.00 4.54 H new ATOM 0 HZ2 LYS A 105 -13.166 6.975 -0.297 1.00 4.54 H new ATOM 0 HZ3 LYS A 105 -12.221 7.814 0.837 1.00 4.54 H new ATOM 1641 N ASN A 106 -11.675 1.198 -0.802 1.00 70.30 N ATOM 1642 CA ASN A 106 -12.099 -0.068 -1.415 1.00 23.32 C ATOM 1643 C ASN A 106 -12.797 0.177 -2.767 1.00 22.13 C ATOM 1644 O ASN A 106 -12.810 1.297 -3.279 1.00 30.21 O ATOM 1645 CB ASN A 106 -13.046 -0.806 -0.467 1.00 43.22 C ATOM 1646 CG ASN A 106 -12.456 -0.982 0.917 1.00 4.21 C ATOM 1647 OD1 ASN A 106 -12.586 -0.118 1.770 1.00 65.33 O ATOM 1648 ND2 ASN A 106 -11.807 -2.101 1.148 1.00 33.21 N ATOM 0 H ASN A 106 -12.356 1.599 -0.157 1.00 70.30 H new ATOM 0 HA ASN A 106 -11.213 -0.677 -1.596 1.00 23.32 H new ATOM 0 HB2 ASN A 106 -13.983 -0.255 -0.392 1.00 43.22 H new ATOM 0 HB3 ASN A 106 -13.284 -1.784 -0.885 1.00 43.22 H new ATOM 0 HD21 ASN A 106 -11.392 -2.270 2.064 1.00 33.21 H new ATOM 0 HD22 ASN A 106 -11.718 -2.801 0.411 1.00 33.21 H new ATOM 1655 N SER A 107 -13.389 -0.877 -3.337 1.00 52.51 N ATOM 1656 CA SER A 107 -14.075 -0.786 -4.638 1.00 41.11 C ATOM 1657 C SER A 107 -15.203 0.260 -4.628 1.00 21.41 C ATOM 1658 O SER A 107 -15.424 0.957 -5.619 1.00 22.52 O ATOM 1659 CB SER A 107 -14.645 -2.156 -5.039 1.00 24.15 C ATOM 1660 OG SER A 107 -15.343 -2.096 -6.278 1.00 3.12 O ATOM 0 H SER A 107 -13.409 -1.807 -2.920 1.00 52.51 H new ATOM 0 HA SER A 107 -13.332 -0.468 -5.369 1.00 41.11 H new ATOM 0 HB2 SER A 107 -13.833 -2.880 -5.114 1.00 24.15 H new ATOM 0 HB3 SER A 107 -15.318 -2.512 -4.259 1.00 24.15 H new ATOM 0 HG SER A 107 -15.690 -2.985 -6.501 1.00 3.12 H new ATOM 1666 N GLN A 108 -15.913 0.371 -3.504 1.00 33.13 N ATOM 1667 CA GLN A 108 -17.002 1.353 -3.365 1.00 4.01 C ATOM 1668 C GLN A 108 -16.475 2.758 -3.014 1.00 11.43 C ATOM 1669 O GLN A 108 -17.256 3.689 -2.805 1.00 41.24 O ATOM 1670 CB GLN A 108 -17.999 0.898 -2.286 1.00 50.34 C ATOM 1671 CG GLN A 108 -18.654 -0.451 -2.569 1.00 2.33 C ATOM 1672 CD GLN A 108 -19.742 -0.802 -1.562 1.00 51.13 C ATOM 1673 OE1 GLN A 108 -20.913 -0.492 -1.761 1.00 14.43 O ATOM 1674 NE2 GLN A 108 -19.367 -1.428 -0.466 1.00 33.54 N ATOM 0 H GLN A 108 -15.758 -0.203 -2.676 1.00 33.13 H new ATOM 0 HA GLN A 108 -17.503 1.412 -4.331 1.00 4.01 H new ATOM 0 HB2 GLN A 108 -17.481 0.844 -1.328 1.00 50.34 H new ATOM 0 HB3 GLN A 108 -18.778 1.654 -2.185 1.00 50.34 H new ATOM 0 HG2 GLN A 108 -19.083 -0.438 -3.571 1.00 2.33 H new ATOM 0 HG3 GLN A 108 -17.891 -1.229 -2.559 1.00 2.33 H new ATOM 0 HE21 GLN A 108 -18.386 -1.673 -0.329 1.00 33.54 H new ATOM 0 HE22 GLN A 108 -20.057 -1.668 0.246 1.00 33.54 H new ATOM 1683 N GLY A 109 -15.152 2.910 -2.948 1.00 41.03 N ATOM 1684 CA GLY A 109 -14.555 4.189 -2.564 1.00 64.10 C ATOM 1685 C GLY A 109 -14.564 4.424 -1.053 1.00 53.21 C ATOM 1686 O GLY A 109 -14.069 5.444 -0.568 1.00 14.24 O ATOM 0 H GLY A 109 -14.479 2.171 -3.153 1.00 41.03 H new ATOM 0 HA2 GLY A 109 -13.527 4.227 -2.926 1.00 64.10 H new ATOM 0 HA3 GLY A 109 -15.096 4.998 -3.055 1.00 64.10 H new ATOM 1690 N GLU A 110 -15.125 3.466 -0.316 1.00 70.11 N ATOM 1691 CA GLU A 110 -15.217 3.537 1.146 1.00 11.31 C ATOM 1692 C GLU A 110 -13.828 3.419 1.798 1.00 2.43 C ATOM 1693 O GLU A 110 -12.920 2.799 1.243 1.00 23.45 O ATOM 1694 CB GLU A 110 -16.142 2.417 1.649 1.00 23.42 C ATOM 1695 CG GLU A 110 -15.623 1.015 1.335 1.00 60.43 C ATOM 1696 CD GLU A 110 -16.652 -0.081 1.566 1.00 4.34 C ATOM 1697 OE1 GLU A 110 -17.227 -0.152 2.670 1.00 52.53 O ATOM 1698 OE2 GLU A 110 -16.886 -0.885 0.638 1.00 63.31 O ATOM 0 H GLU A 110 -15.529 2.618 -0.713 1.00 70.11 H new ATOM 0 HA GLU A 110 -15.630 4.506 1.425 1.00 11.31 H new ATOM 0 HB2 GLU A 110 -16.268 2.517 2.727 1.00 23.42 H new ATOM 0 HB3 GLU A 110 -17.127 2.541 1.200 1.00 23.42 H new ATOM 0 HG2 GLU A 110 -15.296 0.982 0.296 1.00 60.43 H new ATOM 0 HG3 GLU A 110 -14.746 0.815 1.951 1.00 60.43 H new ATOM 1705 N GLU A 111 -13.664 4.026 2.970 1.00 73.31 N ATOM 1706 CA GLU A 111 -12.378 4.013 3.680 1.00 51.20 C ATOM 1707 C GLU A 111 -12.375 2.992 4.831 1.00 73.41 C ATOM 1708 O GLU A 111 -13.176 3.088 5.765 1.00 61.23 O ATOM 1709 CB GLU A 111 -12.084 5.413 4.225 1.00 34.14 C ATOM 1710 CG GLU A 111 -10.779 5.531 5.005 1.00 64.25 C ATOM 1711 CD GLU A 111 -10.593 6.922 5.590 1.00 41.43 C ATOM 1712 OE1 GLU A 111 -11.062 7.164 6.723 1.00 50.24 O ATOM 1713 OE2 GLU A 111 -10.016 7.792 4.907 1.00 3.52 O ATOM 0 H GLU A 111 -14.404 4.535 3.453 1.00 73.31 H new ATOM 0 HA GLU A 111 -11.602 3.717 2.973 1.00 51.20 H new ATOM 0 HB2 GLU A 111 -12.058 6.115 3.391 1.00 34.14 H new ATOM 0 HB3 GLU A 111 -12.907 5.717 4.872 1.00 34.14 H new ATOM 0 HG2 GLU A 111 -10.768 4.795 5.809 1.00 64.25 H new ATOM 0 HG3 GLU A 111 -9.941 5.298 4.348 1.00 64.25 H new ATOM 1720 N VAL A 112 -11.474 2.013 4.757 1.00 22.32 N ATOM 1721 CA VAL A 112 -11.323 1.016 5.829 1.00 20.01 C ATOM 1722 C VAL A 112 -10.049 1.241 6.662 1.00 4.41 C ATOM 1723 O VAL A 112 -9.934 0.737 7.780 1.00 13.44 O ATOM 1724 CB VAL A 112 -11.302 -0.430 5.272 1.00 52.15 C ATOM 1725 CG1 VAL A 112 -12.666 -0.811 4.703 1.00 22.53 C ATOM 1726 CG2 VAL A 112 -10.208 -0.588 4.218 1.00 31.22 C ATOM 0 H VAL A 112 -10.837 1.885 3.971 1.00 22.32 H new ATOM 0 HA VAL A 112 -12.193 1.145 6.473 1.00 20.01 H new ATOM 0 HB VAL A 112 -11.079 -1.109 6.095 1.00 52.15 H new ATOM 0 HG11 VAL A 112 -12.628 -1.830 4.318 1.00 22.53 H new ATOM 0 HG12 VAL A 112 -13.419 -0.748 5.489 1.00 22.53 H new ATOM 0 HG13 VAL A 112 -12.927 -0.127 3.895 1.00 22.53 H new ATOM 0 HG21 VAL A 112 -10.211 -1.611 3.841 1.00 31.22 H new ATOM 0 HG22 VAL A 112 -10.393 0.103 3.395 1.00 31.22 H new ATOM 0 HG23 VAL A 112 -9.238 -0.369 4.665 1.00 31.22 H new ATOM 1736 N ALA A 113 -9.090 1.995 6.123 1.00 73.11 N ATOM 1737 CA ALA A 113 -7.817 2.221 6.819 1.00 31.13 C ATOM 1738 C ALA A 113 -7.133 3.524 6.387 1.00 62.44 C ATOM 1739 O ALA A 113 -7.169 3.909 5.216 1.00 52.12 O ATOM 1740 CB ALA A 113 -6.879 1.037 6.599 1.00 34.41 C ATOM 0 H ALA A 113 -9.166 2.456 5.216 1.00 73.11 H new ATOM 0 HA ALA A 113 -8.045 2.315 7.881 1.00 31.13 H new ATOM 0 HB1 ALA A 113 -5.938 1.216 7.120 1.00 34.41 H new ATOM 0 HB2 ALA A 113 -7.341 0.129 6.987 1.00 34.41 H new ATOM 0 HB3 ALA A 113 -6.686 0.919 5.533 1.00 34.41 H new ATOM 1746 N GLN A 114 -6.509 4.190 7.354 1.00 64.14 N ATOM 1747 CA GLN A 114 -5.725 5.404 7.109 1.00 65.12 C ATOM 1748 C GLN A 114 -4.511 5.440 8.051 1.00 60.10 C ATOM 1749 O GLN A 114 -4.659 5.401 9.274 1.00 12.03 O ATOM 1750 CB GLN A 114 -6.600 6.657 7.299 1.00 63.42 C ATOM 1751 CG GLN A 114 -7.260 6.763 8.672 1.00 1.43 C ATOM 1752 CD GLN A 114 -8.110 8.012 8.822 1.00 54.24 C ATOM 1753 OE1 GLN A 114 -7.844 9.042 8.209 1.00 12.11 O ATOM 1754 NE2 GLN A 114 -9.137 7.936 9.644 1.00 5.22 N ATOM 0 H GLN A 114 -6.531 3.905 8.333 1.00 64.14 H new ATOM 0 HA GLN A 114 -5.368 5.394 6.079 1.00 65.12 H new ATOM 0 HB2 GLN A 114 -5.986 7.542 7.135 1.00 63.42 H new ATOM 0 HB3 GLN A 114 -7.377 6.662 6.534 1.00 63.42 H new ATOM 0 HG2 GLN A 114 -7.882 5.884 8.840 1.00 1.43 H new ATOM 0 HG3 GLN A 114 -6.489 6.760 9.442 1.00 1.43 H new ATOM 0 HE21 GLN A 114 -9.331 7.065 10.138 1.00 5.22 H new ATOM 0 HE22 GLN A 114 -9.738 8.748 9.786 1.00 5.22 H new ATOM 1763 N ARG A 115 -3.309 5.511 7.487 1.00 31.15 N ATOM 1764 CA ARG A 115 -2.085 5.361 8.286 1.00 53.21 C ATOM 1765 C ARG A 115 -0.949 6.262 7.777 1.00 21.04 C ATOM 1766 O ARG A 115 -0.932 6.662 6.619 1.00 2.33 O ATOM 1767 CB ARG A 115 -1.653 3.886 8.264 1.00 42.23 C ATOM 1768 CG ARG A 115 -0.526 3.542 9.232 1.00 52.24 C ATOM 1769 CD ARG A 115 -0.237 2.047 9.239 1.00 73.02 C ATOM 1770 NE ARG A 115 0.799 1.691 10.205 1.00 42.33 N ATOM 1771 CZ ARG A 115 1.004 0.478 10.641 1.00 52.35 C ATOM 1772 NH1 ARG A 115 0.222 -0.493 10.293 1.00 11.13 N ATOM 1773 NH2 ARG A 115 1.976 0.242 11.455 1.00 54.33 N ATOM 0 H ARG A 115 -3.151 5.669 6.492 1.00 31.15 H new ATOM 0 HA ARG A 115 -2.300 5.673 9.308 1.00 53.21 H new ATOM 0 HB2 ARG A 115 -2.517 3.264 8.497 1.00 42.23 H new ATOM 0 HB3 ARG A 115 -1.338 3.628 7.253 1.00 42.23 H new ATOM 0 HG2 ARG A 115 0.375 4.087 8.952 1.00 52.24 H new ATOM 0 HG3 ARG A 115 -0.796 3.867 10.237 1.00 52.24 H new ATOM 0 HD2 ARG A 115 -1.152 1.503 9.473 1.00 73.02 H new ATOM 0 HD3 ARG A 115 0.074 1.734 8.242 1.00 73.02 H new ATOM 0 HE ARG A 115 1.399 2.436 10.560 1.00 42.33 H new ATOM 0 HH11 ARG A 115 -0.566 -0.315 9.670 1.00 11.13 H new ATOM 0 HH12 ARG A 115 0.394 -1.436 10.641 1.00 11.13 H new ATOM 0 HH21 ARG A 115 2.584 1.003 11.758 1.00 54.33 H new ATOM 0 HH22 ARG A 115 2.137 -0.706 11.796 1.00 54.33 H new ATOM 1787 N SER A 116 0.001 6.573 8.657 1.00 32.40 N ATOM 1788 CA SER A 116 1.141 7.437 8.310 1.00 31.24 C ATOM 1789 C SER A 116 2.468 6.842 8.794 1.00 14.35 C ATOM 1790 O SER A 116 2.493 5.803 9.454 1.00 23.04 O ATOM 1791 CB SER A 116 0.957 8.829 8.932 1.00 52.03 C ATOM 1792 OG SER A 116 0.844 8.748 10.347 1.00 13.33 O ATOM 0 H SER A 116 0.008 6.241 9.621 1.00 32.40 H new ATOM 0 HA SER A 116 1.173 7.515 7.223 1.00 31.24 H new ATOM 0 HB2 SER A 116 1.803 9.463 8.668 1.00 52.03 H new ATOM 0 HB3 SER A 116 0.065 9.300 8.519 1.00 52.03 H new ATOM 0 HG SER A 116 0.729 9.648 10.718 1.00 13.33 H new ATOM 1798 N THR A 117 3.574 7.496 8.449 1.00 63.25 N ATOM 1799 CA THR A 117 4.896 7.108 8.965 1.00 62.13 C ATOM 1800 C THR A 117 5.114 7.627 10.392 1.00 41.30 C ATOM 1801 O THR A 117 4.214 8.215 10.999 1.00 42.22 O ATOM 1802 CB THR A 117 6.039 7.644 8.068 1.00 51.45 C ATOM 1803 OG1 THR A 117 5.922 9.065 7.917 1.00 65.32 O ATOM 1804 CG2 THR A 117 6.025 6.980 6.699 1.00 43.32 C ATOM 0 H THR A 117 3.588 8.296 7.816 1.00 63.25 H new ATOM 0 HA THR A 117 4.917 6.018 8.965 1.00 62.13 H new ATOM 0 HB THR A 117 6.985 7.406 8.554 1.00 51.45 H new ATOM 0 HG1 THR A 117 5.169 9.390 8.454 1.00 65.32 H new ATOM 0 HG21 THR A 117 6.839 7.378 6.093 1.00 43.32 H new ATOM 0 HG22 THR A 117 6.152 5.904 6.815 1.00 43.32 H new ATOM 0 HG23 THR A 117 5.074 7.182 6.206 1.00 43.32 H new ATOM 1812 N VAL A 118 6.309 7.397 10.931 1.00 4.00 N ATOM 1813 CA VAL A 118 6.664 7.884 12.266 1.00 24.13 C ATOM 1814 C VAL A 118 8.051 8.548 12.260 1.00 4.11 C ATOM 1815 O VAL A 118 9.020 7.986 11.743 1.00 54.34 O ATOM 1816 CB VAL A 118 6.631 6.734 13.313 1.00 63.30 C ATOM 1817 CG1 VAL A 118 7.553 5.586 12.901 1.00 35.43 C ATOM 1818 CG2 VAL A 118 6.990 7.255 14.707 1.00 54.51 C ATOM 0 H VAL A 118 7.051 6.875 10.464 1.00 4.00 H new ATOM 0 HA VAL A 118 5.920 8.629 12.548 1.00 24.13 H new ATOM 0 HB VAL A 118 5.614 6.345 13.351 1.00 63.30 H new ATOM 0 HG11 VAL A 118 7.509 4.797 13.652 1.00 35.43 H new ATOM 0 HG12 VAL A 118 7.232 5.189 11.938 1.00 35.43 H new ATOM 0 HG13 VAL A 118 8.576 5.953 12.819 1.00 35.43 H new ATOM 0 HG21 VAL A 118 6.960 6.433 15.422 1.00 54.51 H new ATOM 0 HG22 VAL A 118 7.992 7.683 14.688 1.00 54.51 H new ATOM 0 HG23 VAL A 118 6.274 8.021 15.005 1.00 54.51 H new ATOM 1828 N PHE A 119 8.132 9.756 12.814 1.00 13.32 N ATOM 1829 CA PHE A 119 9.398 10.493 12.899 1.00 53.43 C ATOM 1830 C PHE A 119 10.468 9.723 13.701 1.00 10.13 C ATOM 1831 O PHE A 119 10.507 9.770 14.932 1.00 4.10 O ATOM 1832 CB PHE A 119 9.163 11.898 13.494 1.00 3.31 C ATOM 1833 CG PHE A 119 8.294 11.918 14.733 1.00 44.12 C ATOM 1834 CD1 PHE A 119 6.910 11.975 14.624 1.00 25.34 C ATOM 1835 CD2 PHE A 119 8.857 11.885 16.004 1.00 72.53 C ATOM 1836 CE1 PHE A 119 6.111 11.995 15.750 1.00 32.40 C ATOM 1837 CE2 PHE A 119 8.059 11.903 17.132 1.00 31.43 C ATOM 1838 CZ PHE A 119 6.685 11.959 17.005 1.00 53.34 C ATOM 0 H PHE A 119 7.334 10.250 13.213 1.00 13.32 H new ATOM 0 HA PHE A 119 9.783 10.602 11.885 1.00 53.43 H new ATOM 0 HB2 PHE A 119 10.128 12.342 13.736 1.00 3.31 H new ATOM 0 HB3 PHE A 119 8.703 12.529 12.733 1.00 3.31 H new ATOM 0 HD1 PHE A 119 6.453 12.004 13.646 1.00 25.34 H new ATOM 0 HD2 PHE A 119 9.931 11.845 16.111 1.00 72.53 H new ATOM 0 HE1 PHE A 119 5.037 12.039 15.649 1.00 32.40 H new ATOM 0 HE2 PHE A 119 8.510 11.873 18.113 1.00 31.43 H new ATOM 0 HZ PHE A 119 6.061 11.975 17.886 1.00 53.34 H new ATOM 1848 N LYS A 120 11.322 8.993 12.986 1.00 31.41 N ATOM 1849 CA LYS A 120 12.428 8.245 13.601 1.00 61.42 C ATOM 1850 C LYS A 120 13.770 8.599 12.944 1.00 31.30 C ATOM 1851 O LYS A 120 13.822 8.949 11.765 1.00 12.12 O ATOM 1852 CB LYS A 120 12.189 6.729 13.489 1.00 13.31 C ATOM 1853 CG LYS A 120 11.027 6.210 14.333 1.00 2.43 C ATOM 1854 CD LYS A 120 11.215 6.526 15.817 1.00 42.52 C ATOM 1855 CE LYS A 120 10.214 5.776 16.690 1.00 1.43 C ATOM 1856 NZ LYS A 120 10.415 4.304 16.623 1.00 4.35 N ATOM 0 H LYS A 120 11.272 8.901 11.971 1.00 31.41 H new ATOM 0 HA LYS A 120 12.467 8.526 14.653 1.00 61.42 H new ATOM 0 HB2 LYS A 120 12.004 6.479 12.444 1.00 13.31 H new ATOM 0 HB3 LYS A 120 13.099 6.207 13.785 1.00 13.31 H new ATOM 0 HG2 LYS A 120 10.096 6.655 13.982 1.00 2.43 H new ATOM 0 HG3 LYS A 120 10.935 5.132 14.200 1.00 2.43 H new ATOM 0 HD2 LYS A 120 12.229 6.262 16.119 1.00 42.52 H new ATOM 0 HD3 LYS A 120 11.104 7.598 15.977 1.00 42.52 H new ATOM 0 HE2 LYS A 120 10.312 6.109 17.723 1.00 1.43 H new ATOM 0 HE3 LYS A 120 9.200 6.019 16.371 1.00 1.43 H new ATOM 0 HZ1 LYS A 120 9.959 3.854 17.442 1.00 4.35 H new ATOM 0 HZ2 LYS A 120 9.994 3.936 15.746 1.00 4.35 H new ATOM 0 HZ3 LYS A 120 11.433 4.092 16.634 1.00 4.35 H new ATOM 1870 N THR A 121 14.850 8.508 13.713 1.00 1.32 N ATOM 1871 CA THR A 121 16.203 8.741 13.186 1.00 42.22 C ATOM 1872 C THR A 121 17.086 7.505 13.394 1.00 20.33 C ATOM 1873 O THR A 121 17.703 7.334 14.450 1.00 63.44 O ATOM 1874 CB THR A 121 16.880 9.974 13.845 1.00 25.54 C ATOM 1875 OG1 THR A 121 16.088 11.153 13.624 1.00 11.44 O ATOM 1876 CG2 THR A 121 18.289 10.201 13.294 1.00 32.45 C ATOM 0 H THR A 121 14.821 8.275 14.706 1.00 1.32 H new ATOM 0 HA THR A 121 16.096 8.939 12.120 1.00 42.22 H new ATOM 0 HB THR A 121 16.955 9.775 14.914 1.00 25.54 H new ATOM 0 HG1 THR A 121 16.523 11.923 14.045 1.00 11.44 H new ATOM 0 HG21 THR A 121 18.733 11.072 13.777 1.00 32.45 H new ATOM 0 HG22 THR A 121 18.903 9.323 13.493 1.00 32.45 H new ATOM 0 HG23 THR A 121 18.236 10.371 12.219 1.00 32.45 H new ATOM 1884 N THR A 122 17.126 6.633 12.387 1.00 70.35 N ATOM 1885 CA THR A 122 17.901 5.382 12.465 1.00 73.11 C ATOM 1886 C THR A 122 19.360 5.584 12.015 1.00 50.23 C ATOM 1887 O THR A 122 19.600 5.736 10.798 1.00 37.31 O ATOM 1888 CB THR A 122 17.256 4.254 11.617 1.00 1.41 C ATOM 1889 OG1 THR A 122 17.123 4.663 10.245 1.00 45.41 O ATOM 1890 CG2 THR A 122 15.886 3.867 12.168 1.00 53.14 C ATOM 1891 OXT THR A 122 20.259 5.579 12.882 1.00 37.31 O ATOM 0 H THR A 122 16.632 6.765 11.504 1.00 70.35 H new ATOM 0 HA THR A 122 17.894 5.084 13.514 1.00 73.11 H new ATOM 0 HB THR A 122 17.913 3.386 11.671 1.00 1.41 H new ATOM 0 HG1 THR A 122 17.912 5.179 9.980 1.00 45.41 H new ATOM 0 HG21 THR A 122 15.458 3.075 11.554 1.00 53.14 H new ATOM 0 HG22 THR A 122 15.993 3.514 13.194 1.00 53.14 H new ATOM 0 HG23 THR A 122 15.228 4.736 12.150 1.00 53.14 H new TER 1899 THR A 122