USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 793 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 95 ASN :FLIP amide:sc= -0.195 F(o=-5.6!,f=-0.85) USER MOD Set 1.2: A 96 THR OG1 : rot -78:sc= -0.657 USER MOD Set 2.1: A 81 MET CE :methyl -156:sc= -0.298 (180deg=-1.1) USER MOD Set 2.2: A 83 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 52 THR OG1 : rot -71:sc= 0.709 USER MOD Set 3.2: A 54 THR OG1 : rot 179:sc= -1.58 USER MOD Set 4.1: A 4 MET CE :methyl 176:sc= -0.609 (180deg=-0.694) USER MOD Set 4.2: A 6 TYR OH : rot 180:sc= 0.797 USER MOD Set 4.3: A 48 TYR OH : rot 15:sc= 0.242 USER MOD Set 4.4: A 53 LYS NZ :NH3+ -171:sc= 1.17 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -101:sc= 0.0367 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HE2:sc= 0.0021 X(o=0.0021,f=-0.2) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ 146:sc= 0.795 (180deg=0.0767) USER MOD Single : A 11 ASN : amide:sc= -1.07 K(o=-1.1,f=-2.8!) USER MOD Single : A 13 LYS NZ :NH3+ -178:sc= -0.246! (180deg=-0.445!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc=-0.000503 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc=-0.000718 USER MOD Single : A 31 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0299) USER MOD Single : A 34 LYS NZ :NH3+ 140:sc= 1.39 (180deg=0.509) USER MOD Single : A 35 GLN : amide:sc= -1.88! C(o=-1.9!,f=-6.9!) USER MOD Single : A 36 TYR OH : rot 150:sc= 0 USER MOD Single : A 38 ASN : amide:sc=-0.000402 X(o=-0.0004,f=0) USER MOD Single : A 40 ASN : amide:sc= 1.12 K(o=1.1,f=-0.32) USER MOD Single : A 47 THR OG1 : rot 180:sc= -1.29 USER MOD Single : A 55 TYR OH : rot 68:sc= 0.0264 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= -0.0108 USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN :FLIP amide:sc= -0.0027 F(o=-1.2,f=-0.0027) USER MOD Single : A 82 LYS NZ :NH3+ -177:sc= 1.16 (180deg=1.1) USER MOD Single : A 84 THR OG1 : rot -61:sc= -1.08 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=-0.00016) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.107 USER MOD Single : A 99 THR OG1 : rot 47:sc= 0.144 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -41.266 6.819 -4.869 1.00 4.75 N ATOM 2 CA GLY A 1 -40.678 5.979 -3.797 1.00 3.82 C ATOM 3 C GLY A 1 -40.129 6.817 -2.666 1.00 2.64 C ATOM 4 O GLY A 1 -39.694 7.948 -2.883 1.00 2.97 O ATOM 0 H1 GLY A 1 -42.302 6.826 -4.776 1.00 4.75 H new ATOM 0 H2 GLY A 1 -40.904 7.791 -4.787 1.00 4.75 H new ATOM 0 H3 GLY A 1 -41.005 6.430 -5.797 1.00 4.75 H new ATOM 0 HA2 GLY A 1 -41.437 5.299 -3.410 1.00 3.82 H new ATOM 0 HA3 GLY A 1 -39.881 5.363 -4.214 1.00 3.82 H new ATOM 10 N SER A 2 -40.152 6.274 -1.459 1.00 1.83 N ATOM 11 CA SER A 2 -39.638 6.987 -0.299 1.00 1.07 C ATOM 12 C SER A 2 -38.173 6.632 -0.028 1.00 0.80 C ATOM 13 O SER A 2 -37.544 7.200 0.861 1.00 0.96 O ATOM 14 CB SER A 2 -40.480 6.668 0.938 1.00 1.95 C ATOM 15 OG SER A 2 -41.826 7.073 0.767 1.00 2.45 O ATOM 0 H SER A 2 -40.520 5.344 -1.257 1.00 1.83 H new ATOM 0 HA SER A 2 -39.699 8.054 -0.515 1.00 1.07 H new ATOM 0 HB2 SER A 2 -40.444 5.597 1.138 1.00 1.95 H new ATOM 0 HB3 SER A 2 -40.056 7.169 1.808 1.00 1.95 H new ATOM 0 HG SER A 2 -42.338 6.854 1.573 1.00 2.45 H new ATOM 21 N HIS A 3 -37.643 5.663 -0.768 1.00 0.62 N ATOM 22 CA HIS A 3 -36.262 5.229 -0.580 1.00 0.44 C ATOM 23 C HIS A 3 -35.470 5.412 -1.866 1.00 0.40 C ATOM 24 O HIS A 3 -36.050 5.522 -2.948 1.00 0.53 O ATOM 25 CB HIS A 3 -36.198 3.753 -0.161 1.00 0.55 C ATOM 26 CG HIS A 3 -36.907 3.436 1.116 1.00 1.04 C ATOM 27 ND1 HIS A 3 -37.796 2.393 1.231 1.00 1.55 N ATOM 28 CD2 HIS A 3 -36.845 4.011 2.340 1.00 1.91 C ATOM 29 CE1 HIS A 3 -38.252 2.335 2.466 1.00 2.22 C ATOM 30 NE2 HIS A 3 -37.689 3.306 3.165 1.00 2.50 N ATOM 0 H HIS A 3 -38.147 5.164 -1.501 1.00 0.62 H new ATOM 0 HA HIS A 3 -35.829 5.842 0.211 1.00 0.44 H new ATOM 0 HB2 HIS A 3 -36.624 3.144 -0.958 1.00 0.55 H new ATOM 0 HB3 HIS A 3 -35.152 3.462 -0.062 1.00 0.55 H new ATOM 0 HD1 HIS A 3 -38.062 1.761 0.476 1.00 1.55 H new ATOM 0 HD2 HIS A 3 -36.244 4.865 2.617 1.00 1.91 H new ATOM 0 HE1 HIS A 3 -38.965 1.616 2.843 1.00 2.22 H new ATOM 39 N MET A 4 -34.147 5.434 -1.751 1.00 0.38 N ATOM 40 CA MET A 4 -33.271 5.534 -2.907 1.00 0.41 C ATOM 41 C MET A 4 -32.357 4.312 -2.919 1.00 0.37 C ATOM 42 O MET A 4 -31.901 3.876 -1.860 1.00 0.43 O ATOM 43 CB MET A 4 -32.442 6.826 -2.854 1.00 0.54 C ATOM 44 CG MET A 4 -33.275 8.077 -2.602 1.00 1.29 C ATOM 45 SD MET A 4 -32.316 9.606 -2.720 1.00 1.92 S ATOM 46 CE MET A 4 -31.901 9.599 -4.461 1.00 2.06 C ATOM 0 H MET A 4 -33.656 5.383 -0.858 1.00 0.38 H new ATOM 0 HA MET A 4 -33.866 5.566 -3.820 1.00 0.41 H new ATOM 0 HB2 MET A 4 -31.693 6.735 -2.068 1.00 0.54 H new ATOM 0 HB3 MET A 4 -31.904 6.941 -3.795 1.00 0.54 H new ATOM 0 HG2 MET A 4 -34.093 8.112 -3.321 1.00 1.29 H new ATOM 0 HG3 MET A 4 -33.725 8.013 -1.611 1.00 1.29 H new ATOM 0 HE1 MET A 4 -31.368 10.516 -4.712 1.00 2.06 H new ATOM 0 HE2 MET A 4 -31.267 8.740 -4.681 1.00 2.06 H new ATOM 0 HE3 MET A 4 -32.814 9.537 -5.053 1.00 2.06 H new ATOM 56 N GLN A 5 -32.147 3.717 -4.088 1.00 0.34 N ATOM 57 CA GLN A 5 -31.330 2.513 -4.180 1.00 0.33 C ATOM 58 C GLN A 5 -29.847 2.860 -4.261 1.00 0.29 C ATOM 59 O GLN A 5 -29.394 3.491 -5.219 1.00 0.49 O ATOM 60 CB GLN A 5 -31.749 1.655 -5.384 1.00 0.44 C ATOM 61 CG GLN A 5 -30.957 0.357 -5.532 1.00 0.53 C ATOM 62 CD GLN A 5 -31.515 -0.548 -6.611 1.00 1.07 C ATOM 63 OE1 GLN A 5 -32.387 -1.379 -6.348 1.00 1.90 O ATOM 64 NE2 GLN A 5 -31.017 -0.408 -7.828 1.00 1.53 N ATOM 0 H GLN A 5 -32.527 4.044 -4.976 1.00 0.34 H new ATOM 0 HA GLN A 5 -31.493 1.932 -3.272 1.00 0.33 H new ATOM 0 HB2 GLN A 5 -32.808 1.413 -5.293 1.00 0.44 H new ATOM 0 HB3 GLN A 5 -31.633 2.244 -6.294 1.00 0.44 H new ATOM 0 HG2 GLN A 5 -29.919 0.594 -5.763 1.00 0.53 H new ATOM 0 HG3 GLN A 5 -30.958 -0.175 -4.581 1.00 0.53 H new ATOM 0 HE21 GLN A 5 -30.296 0.291 -8.007 1.00 1.53 H new ATOM 0 HE22 GLN A 5 -31.354 -0.999 -8.588 1.00 1.53 H new ATOM 73 N TYR A 6 -29.101 2.444 -3.249 1.00 0.20 N ATOM 74 CA TYR A 6 -27.667 2.687 -3.207 1.00 0.21 C ATOM 75 C TYR A 6 -26.929 1.385 -3.451 1.00 0.23 C ATOM 76 O TYR A 6 -27.480 0.304 -3.225 1.00 0.30 O ATOM 77 CB TYR A 6 -27.226 3.308 -1.862 1.00 0.28 C ATOM 78 CG TYR A 6 -27.550 4.781 -1.743 1.00 0.28 C ATOM 79 CD1 TYR A 6 -26.636 5.749 -2.148 1.00 0.79 C ATOM 80 CD2 TYR A 6 -28.771 5.204 -1.238 1.00 0.78 C ATOM 81 CE1 TYR A 6 -26.931 7.096 -2.046 1.00 0.82 C ATOM 82 CE2 TYR A 6 -29.074 6.551 -1.133 1.00 0.83 C ATOM 83 CZ TYR A 6 -28.152 7.495 -1.543 1.00 0.43 C ATOM 84 OH TYR A 6 -28.456 8.843 -1.452 1.00 0.53 O ATOM 0 H TYR A 6 -29.466 1.935 -2.444 1.00 0.20 H new ATOM 0 HA TYR A 6 -27.421 3.405 -3.990 1.00 0.21 H new ATOM 0 HB2 TYR A 6 -27.710 2.771 -1.047 1.00 0.28 H new ATOM 0 HB3 TYR A 6 -26.152 3.169 -1.742 1.00 0.28 H new ATOM 0 HD1 TYR A 6 -25.681 5.443 -2.548 1.00 0.79 H new ATOM 0 HD2 TYR A 6 -29.497 4.470 -0.921 1.00 0.78 H new ATOM 0 HE1 TYR A 6 -26.207 7.834 -2.359 1.00 0.82 H new ATOM 0 HE2 TYR A 6 -30.027 6.863 -0.732 1.00 0.83 H new ATOM 0 HH TYR A 6 -29.355 8.951 -1.078 1.00 0.53 H new ATOM 94 N LYS A 7 -25.694 1.489 -3.912 1.00 0.26 N ATOM 95 CA LYS A 7 -24.895 0.311 -4.225 1.00 0.30 C ATOM 96 C LYS A 7 -23.483 0.426 -3.664 1.00 0.23 C ATOM 97 O LYS A 7 -22.985 1.524 -3.438 1.00 0.31 O ATOM 98 CB LYS A 7 -24.845 0.106 -5.747 1.00 0.50 C ATOM 99 CG LYS A 7 -24.565 1.385 -6.524 1.00 0.98 C ATOM 100 CD LYS A 7 -24.524 1.132 -8.025 1.00 1.30 C ATOM 101 CE LYS A 7 -25.920 0.937 -8.599 1.00 1.94 C ATOM 102 NZ LYS A 7 -26.703 2.205 -8.581 1.00 2.57 N ATOM 0 H LYS A 7 -25.220 2.377 -4.079 1.00 0.26 H new ATOM 0 HA LYS A 7 -25.368 -0.552 -3.756 1.00 0.30 H new ATOM 0 HB2 LYS A 7 -24.074 -0.628 -5.981 1.00 0.50 H new ATOM 0 HB3 LYS A 7 -25.795 -0.312 -6.081 1.00 0.50 H new ATOM 0 HG2 LYS A 7 -25.335 2.123 -6.300 1.00 0.98 H new ATOM 0 HG3 LYS A 7 -23.614 1.808 -6.200 1.00 0.98 H new ATOM 0 HD2 LYS A 7 -24.039 1.972 -8.523 1.00 1.30 H new ATOM 0 HD3 LYS A 7 -23.919 0.248 -8.229 1.00 1.30 H new ATOM 0 HE2 LYS A 7 -25.845 0.570 -9.622 1.00 1.94 H new ATOM 0 HE3 LYS A 7 -26.447 0.175 -8.025 1.00 1.94 H new ATOM 0 HZ1 LYS A 7 -27.330 2.238 -9.410 1.00 2.57 H new ATOM 0 HZ2 LYS A 7 -27.274 2.248 -7.713 1.00 2.57 H new ATOM 0 HZ3 LYS A 7 -26.052 3.016 -8.607 1.00 2.57 H new ATOM 116 N LEU A 8 -22.856 -0.721 -3.433 1.00 0.22 N ATOM 117 CA LEU A 8 -21.491 -0.771 -2.915 1.00 0.20 C ATOM 118 C LEU A 8 -20.686 -1.818 -3.666 1.00 0.17 C ATOM 119 O LEU A 8 -21.221 -2.852 -4.072 1.00 0.25 O ATOM 120 CB LEU A 8 -21.484 -1.107 -1.413 1.00 0.28 C ATOM 121 CG LEU A 8 -20.108 -1.185 -0.759 1.00 0.28 C ATOM 122 CD1 LEU A 8 -19.585 0.201 -0.414 1.00 0.30 C ATOM 123 CD2 LEU A 8 -20.187 -2.054 0.471 1.00 0.33 C ATOM 0 H LEU A 8 -23.274 -1.637 -3.597 1.00 0.22 H new ATOM 0 HA LEU A 8 -21.041 0.211 -3.058 1.00 0.20 H new ATOM 0 HB2 LEU A 8 -22.073 -0.355 -0.888 1.00 0.28 H new ATOM 0 HB3 LEU A 8 -21.988 -2.063 -1.271 1.00 0.28 H new ATOM 0 HG LEU A 8 -19.406 -1.629 -1.465 1.00 0.28 H new ATOM 0 HD11 LEU A 8 -18.603 0.114 0.051 1.00 0.30 H new ATOM 0 HD12 LEU A 8 -19.505 0.796 -1.323 1.00 0.30 H new ATOM 0 HD13 LEU A 8 -20.272 0.687 0.278 1.00 0.30 H new ATOM 0 HD21 LEU A 8 -19.205 -2.111 0.940 1.00 0.33 H new ATOM 0 HD22 LEU A 8 -20.900 -1.625 1.174 1.00 0.33 H new ATOM 0 HD23 LEU A 8 -20.513 -3.055 0.189 1.00 0.33 H new ATOM 135 N ILE A 9 -19.409 -1.529 -3.859 1.00 0.15 N ATOM 136 CA ILE A 9 -18.503 -2.444 -4.524 1.00 0.14 C ATOM 137 C ILE A 9 -17.319 -2.725 -3.609 1.00 0.13 C ATOM 138 O ILE A 9 -16.680 -1.791 -3.112 1.00 0.17 O ATOM 139 CB ILE A 9 -17.999 -1.876 -5.876 1.00 0.20 C ATOM 140 CG1 ILE A 9 -19.173 -1.670 -6.860 1.00 0.26 C ATOM 141 CG2 ILE A 9 -16.953 -2.808 -6.484 1.00 0.26 C ATOM 142 CD1 ILE A 9 -18.750 -1.032 -8.176 1.00 0.62 C ATOM 0 H ILE A 9 -18.975 -0.656 -3.559 1.00 0.15 H new ATOM 0 HA ILE A 9 -19.044 -3.366 -4.737 1.00 0.14 H new ATOM 0 HB ILE A 9 -17.539 -0.906 -5.689 1.00 0.20 H new ATOM 0 HG12 ILE A 9 -19.640 -2.633 -7.065 1.00 0.26 H new ATOM 0 HG13 ILE A 9 -19.929 -1.043 -6.387 1.00 0.26 H new ATOM 0 HG21 ILE A 9 -16.608 -2.398 -7.433 1.00 0.26 H new ATOM 0 HG22 ILE A 9 -16.109 -2.903 -5.801 1.00 0.26 H new ATOM 0 HG23 ILE A 9 -17.395 -3.790 -6.653 1.00 0.26 H new ATOM 0 HD11 ILE A 9 -19.621 -0.916 -8.821 1.00 0.62 H new ATOM 0 HD12 ILE A 9 -18.310 -0.054 -7.981 1.00 0.62 H new ATOM 0 HD13 ILE A 9 -18.016 -1.669 -8.670 1.00 0.62 H new ATOM 154 N LEU A 10 -17.083 -3.996 -3.307 1.00 0.12 N ATOM 155 CA LEU A 10 -15.963 -4.348 -2.458 1.00 0.13 C ATOM 156 C LEU A 10 -14.757 -4.639 -3.318 1.00 0.15 C ATOM 157 O LEU A 10 -14.711 -5.650 -4.021 1.00 0.25 O ATOM 158 CB LEU A 10 -16.241 -5.557 -1.545 1.00 0.14 C ATOM 159 CG LEU A 10 -17.413 -5.456 -0.550 1.00 0.16 C ATOM 160 CD1 LEU A 10 -17.550 -4.068 0.035 1.00 0.17 C ATOM 161 CD2 LEU A 10 -18.724 -5.907 -1.179 1.00 0.19 C ATOM 0 H LEU A 10 -17.643 -4.784 -3.633 1.00 0.12 H new ATOM 0 HA LEU A 10 -15.783 -3.495 -1.804 1.00 0.13 H new ATOM 0 HB2 LEU A 10 -16.417 -6.423 -2.182 1.00 0.14 H new ATOM 0 HB3 LEU A 10 -15.335 -5.760 -0.974 1.00 0.14 H new ATOM 0 HG LEU A 10 -17.180 -6.135 0.271 1.00 0.16 H new ATOM 0 HD11 LEU A 10 -18.389 -4.047 0.730 1.00 0.17 H new ATOM 0 HD12 LEU A 10 -16.634 -3.804 0.564 1.00 0.17 H new ATOM 0 HD13 LEU A 10 -17.725 -3.351 -0.767 1.00 0.17 H new ATOM 0 HD21 LEU A 10 -19.527 -5.822 -0.447 1.00 0.19 H new ATOM 0 HD22 LEU A 10 -18.950 -5.278 -2.040 1.00 0.19 H new ATOM 0 HD23 LEU A 10 -18.635 -6.945 -1.501 1.00 0.19 H new ATOM 173 N ASN A 11 -13.838 -3.700 -3.341 1.00 0.15 N ATOM 174 CA ASN A 11 -12.612 -3.873 -4.080 1.00 0.18 C ATOM 175 C ASN A 11 -11.542 -4.388 -3.137 1.00 0.20 C ATOM 176 O ASN A 11 -10.793 -3.608 -2.554 1.00 0.24 O ATOM 177 CB ASN A 11 -12.161 -2.543 -4.702 1.00 0.24 C ATOM 178 CG ASN A 11 -13.081 -2.029 -5.790 1.00 1.01 C ATOM 179 OD1 ASN A 11 -14.245 -1.720 -5.549 1.00 1.96 O ATOM 180 ND2 ASN A 11 -12.546 -1.884 -6.985 1.00 1.33 N ATOM 0 H ASN A 11 -13.919 -2.807 -2.854 1.00 0.15 H new ATOM 0 HA ASN A 11 -12.777 -4.588 -4.886 1.00 0.18 H new ATOM 0 HB2 ASN A 11 -12.090 -1.792 -3.916 1.00 0.24 H new ATOM 0 HB3 ASN A 11 -11.160 -2.668 -5.115 1.00 0.24 H new ATOM 0 HD21 ASN A 11 -13.103 -1.503 -7.750 1.00 1.33 H new ATOM 0 HD22 ASN A 11 -11.575 -2.153 -7.145 1.00 1.33 H new ATOM 187 N GLY A 12 -11.513 -5.701 -2.960 1.00 0.21 N ATOM 188 CA GLY A 12 -10.526 -6.322 -2.091 1.00 0.26 C ATOM 189 C GLY A 12 -10.062 -7.671 -2.613 1.00 0.39 C ATOM 190 O GLY A 12 -10.845 -8.446 -3.142 1.00 0.91 O ATOM 0 H GLY A 12 -12.159 -6.354 -3.405 1.00 0.21 H new ATOM 0 HA2 GLY A 12 -9.666 -5.659 -1.990 1.00 0.26 H new ATOM 0 HA3 GLY A 12 -10.950 -6.447 -1.095 1.00 0.26 H new ATOM 194 N LYS A 13 -8.793 -7.959 -2.405 1.00 0.44 N ATOM 195 CA LYS A 13 -8.152 -9.181 -2.897 1.00 0.56 C ATOM 196 C LYS A 13 -8.956 -10.443 -2.562 1.00 0.66 C ATOM 197 O LYS A 13 -9.171 -11.290 -3.423 1.00 0.89 O ATOM 198 CB LYS A 13 -6.742 -9.293 -2.307 1.00 0.76 C ATOM 199 CG LYS A 13 -5.861 -8.091 -2.610 1.00 1.17 C ATOM 200 CD LYS A 13 -4.653 -8.038 -1.689 1.00 1.63 C ATOM 201 CE LYS A 13 -3.837 -6.775 -1.917 1.00 2.41 C ATOM 202 NZ LYS A 13 -4.652 -5.542 -1.750 1.00 3.26 N ATOM 0 H LYS A 13 -8.163 -7.349 -1.884 1.00 0.44 H new ATOM 0 HA LYS A 13 -8.104 -9.109 -3.984 1.00 0.56 H new ATOM 0 HB2 LYS A 13 -6.817 -9.415 -1.226 1.00 0.76 H new ATOM 0 HB3 LYS A 13 -6.264 -10.192 -2.697 1.00 0.76 H new ATOM 0 HG2 LYS A 13 -5.527 -8.135 -3.647 1.00 1.17 H new ATOM 0 HG3 LYS A 13 -6.443 -7.176 -2.501 1.00 1.17 H new ATOM 0 HD2 LYS A 13 -4.983 -8.077 -0.651 1.00 1.63 H new ATOM 0 HD3 LYS A 13 -4.026 -8.914 -1.858 1.00 1.63 H new ATOM 0 HE2 LYS A 13 -3.001 -6.753 -1.218 1.00 2.41 H new ATOM 0 HE3 LYS A 13 -3.413 -6.795 -2.921 1.00 2.41 H new ATOM 0 HZ1 LYS A 13 -4.064 -4.708 -1.948 1.00 3.26 H new ATOM 0 HZ2 LYS A 13 -5.455 -5.564 -2.411 1.00 3.26 H new ATOM 0 HZ3 LYS A 13 -5.008 -5.491 -0.774 1.00 3.26 H new ATOM 216 N THR A 14 -9.424 -10.549 -1.324 1.00 0.76 N ATOM 217 CA THR A 14 -10.182 -11.720 -0.893 1.00 1.06 C ATOM 218 C THR A 14 -11.669 -11.401 -0.786 1.00 0.93 C ATOM 219 O THR A 14 -12.469 -12.246 -0.389 1.00 1.20 O ATOM 220 CB THR A 14 -9.668 -12.231 0.465 1.00 1.44 C ATOM 221 OG1 THR A 14 -9.518 -11.130 1.369 1.00 1.93 O ATOM 222 CG2 THR A 14 -8.337 -12.955 0.307 1.00 1.86 C ATOM 0 H THR A 14 -9.293 -9.841 -0.602 1.00 0.76 H new ATOM 0 HA THR A 14 -10.042 -12.497 -1.645 1.00 1.06 H new ATOM 0 HB THR A 14 -10.396 -12.937 0.866 1.00 1.44 H new ATOM 0 HG1 THR A 14 -9.192 -11.458 2.233 1.00 1.93 H new ATOM 0 HG21 THR A 14 -7.996 -13.306 1.281 1.00 1.86 H new ATOM 0 HG22 THR A 14 -8.463 -13.806 -0.362 1.00 1.86 H new ATOM 0 HG23 THR A 14 -7.598 -12.271 -0.111 1.00 1.86 H new ATOM 230 N LEU A 15 -12.042 -10.222 -1.258 1.00 0.64 N ATOM 231 CA LEU A 15 -13.418 -9.767 -1.171 1.00 0.66 C ATOM 232 C LEU A 15 -13.725 -8.889 -2.372 1.00 0.49 C ATOM 233 O LEU A 15 -13.439 -7.697 -2.371 1.00 0.55 O ATOM 234 CB LEU A 15 -13.630 -8.971 0.127 1.00 0.92 C ATOM 235 CG LEU A 15 -14.831 -9.370 0.989 1.00 1.07 C ATOM 236 CD1 LEU A 15 -16.095 -9.392 0.161 1.00 1.80 C ATOM 237 CD2 LEU A 15 -14.596 -10.712 1.667 1.00 1.35 C ATOM 0 H LEU A 15 -11.407 -9.562 -1.707 1.00 0.64 H new ATOM 0 HA LEU A 15 -14.087 -10.628 -1.164 1.00 0.66 H new ATOM 0 HB2 LEU A 15 -12.729 -9.064 0.734 1.00 0.92 H new ATOM 0 HB3 LEU A 15 -13.732 -7.917 -0.133 1.00 0.92 H new ATOM 0 HG LEU A 15 -14.951 -8.622 1.772 1.00 1.07 H new ATOM 0 HD11 LEU A 15 -16.938 -9.678 0.791 1.00 1.80 H new ATOM 0 HD12 LEU A 15 -16.274 -8.401 -0.257 1.00 1.80 H new ATOM 0 HD13 LEU A 15 -15.987 -10.113 -0.649 1.00 1.80 H new ATOM 0 HD21 LEU A 15 -15.465 -10.971 2.273 1.00 1.35 H new ATOM 0 HD22 LEU A 15 -14.440 -11.480 0.909 1.00 1.35 H new ATOM 0 HD23 LEU A 15 -13.715 -10.648 2.305 1.00 1.35 H new ATOM 249 N LYS A 16 -14.301 -9.495 -3.390 1.00 0.42 N ATOM 250 CA LYS A 16 -14.624 -8.798 -4.615 1.00 0.37 C ATOM 251 C LYS A 16 -16.044 -9.137 -5.048 1.00 0.43 C ATOM 252 O LYS A 16 -16.342 -10.268 -5.428 1.00 0.58 O ATOM 253 CB LYS A 16 -13.618 -9.177 -5.702 1.00 0.45 C ATOM 254 CG LYS A 16 -12.284 -8.450 -5.597 1.00 0.43 C ATOM 255 CD LYS A 16 -11.276 -9.007 -6.553 1.00 1.03 C ATOM 256 CE LYS A 16 -9.961 -8.251 -6.479 1.00 1.81 C ATOM 257 NZ LYS A 16 -8.947 -8.784 -7.433 1.00 2.49 N ATOM 0 H LYS A 16 -14.557 -10.482 -3.390 1.00 0.42 H new ATOM 0 HA LYS A 16 -14.566 -7.722 -4.448 1.00 0.37 H new ATOM 0 HB2 LYS A 16 -13.438 -10.251 -5.657 1.00 0.45 H new ATOM 0 HB3 LYS A 16 -14.057 -8.968 -6.677 1.00 0.45 H new ATOM 0 HG2 LYS A 16 -12.430 -7.389 -5.799 1.00 0.43 H new ATOM 0 HG3 LYS A 16 -11.904 -8.531 -4.579 1.00 0.43 H new ATOM 0 HD2 LYS A 16 -11.104 -10.060 -6.330 1.00 1.03 H new ATOM 0 HD3 LYS A 16 -11.669 -8.956 -7.568 1.00 1.03 H new ATOM 0 HE2 LYS A 16 -10.138 -7.197 -6.692 1.00 1.81 H new ATOM 0 HE3 LYS A 16 -9.568 -8.309 -5.464 1.00 1.81 H new ATOM 0 HZ1 LYS A 16 -8.067 -8.237 -7.346 1.00 2.49 H new ATOM 0 HZ2 LYS A 16 -8.756 -9.783 -7.215 1.00 2.49 H new ATOM 0 HZ3 LYS A 16 -9.309 -8.705 -8.405 1.00 2.49 H new ATOM 271 N GLY A 17 -16.916 -8.154 -4.964 1.00 0.33 N ATOM 272 CA GLY A 17 -18.307 -8.349 -5.295 1.00 0.39 C ATOM 273 C GLY A 17 -19.087 -7.075 -5.073 1.00 0.26 C ATOM 274 O GLY A 17 -18.493 -6.039 -4.771 1.00 0.23 O ATOM 0 H GLY A 17 -16.681 -7.207 -4.667 1.00 0.33 H new ATOM 0 HA2 GLY A 17 -18.399 -8.662 -6.335 1.00 0.39 H new ATOM 0 HA3 GLY A 17 -18.724 -9.149 -4.683 1.00 0.39 H new ATOM 278 N GLU A 18 -20.404 -7.143 -5.187 1.00 0.28 N ATOM 279 CA GLU A 18 -21.238 -5.959 -5.024 1.00 0.23 C ATOM 280 C GLU A 18 -22.445 -6.269 -4.154 1.00 0.29 C ATOM 281 O GLU A 18 -22.761 -7.431 -3.904 1.00 0.49 O ATOM 282 CB GLU A 18 -21.723 -5.460 -6.390 1.00 0.46 C ATOM 283 CG GLU A 18 -20.618 -5.307 -7.426 1.00 0.70 C ATOM 284 CD GLU A 18 -21.159 -5.074 -8.822 1.00 1.17 C ATOM 285 OE1 GLU A 18 -20.892 -3.994 -9.391 1.00 1.69 O ATOM 286 OE2 GLU A 18 -21.865 -5.958 -9.352 1.00 1.69 O ATOM 0 H GLU A 18 -20.918 -8.000 -5.391 1.00 0.28 H new ATOM 0 HA GLU A 18 -20.637 -5.187 -4.543 1.00 0.23 H new ATOM 0 HB2 GLU A 18 -22.471 -6.154 -6.773 1.00 0.46 H new ATOM 0 HB3 GLU A 18 -22.218 -4.498 -6.258 1.00 0.46 H new ATOM 0 HG2 GLU A 18 -19.974 -4.473 -7.145 1.00 0.70 H new ATOM 0 HG3 GLU A 18 -19.997 -6.203 -7.425 1.00 0.70 H new ATOM 293 N THR A 19 -23.125 -5.222 -3.720 1.00 0.22 N ATOM 294 CA THR A 19 -24.319 -5.360 -2.907 1.00 0.32 C ATOM 295 C THR A 19 -25.139 -4.077 -2.996 1.00 0.29 C ATOM 296 O THR A 19 -24.620 -3.033 -3.416 1.00 0.31 O ATOM 297 CB THR A 19 -23.972 -5.674 -1.433 1.00 0.44 C ATOM 298 OG1 THR A 19 -25.165 -5.982 -0.699 1.00 0.58 O ATOM 299 CG2 THR A 19 -23.262 -4.492 -0.771 1.00 0.45 C ATOM 0 H THR A 19 -22.866 -4.256 -3.921 1.00 0.22 H new ATOM 0 HA THR A 19 -24.902 -6.198 -3.289 1.00 0.32 H new ATOM 0 HB THR A 19 -23.303 -6.534 -1.423 1.00 0.44 H new ATOM 0 HG1 THR A 19 -24.934 -6.181 0.232 1.00 0.58 H new ATOM 0 HG21 THR A 19 -23.030 -4.741 0.265 1.00 0.45 H new ATOM 0 HG22 THR A 19 -22.338 -4.275 -1.308 1.00 0.45 H new ATOM 0 HG23 THR A 19 -23.911 -3.617 -0.797 1.00 0.45 H new ATOM 307 N THR A 20 -26.413 -4.158 -2.639 1.00 0.27 N ATOM 308 CA THR A 20 -27.303 -3.011 -2.721 1.00 0.24 C ATOM 309 C THR A 20 -28.208 -2.912 -1.498 1.00 0.25 C ATOM 310 O THR A 20 -28.402 -3.890 -0.770 1.00 0.31 O ATOM 311 CB THR A 20 -28.193 -3.090 -3.978 1.00 0.30 C ATOM 312 OG1 THR A 20 -28.750 -4.408 -4.093 1.00 0.38 O ATOM 313 CG2 THR A 20 -27.426 -2.765 -5.256 1.00 0.32 C ATOM 0 H THR A 20 -26.853 -5.009 -2.289 1.00 0.27 H new ATOM 0 HA THR A 20 -26.666 -2.128 -2.771 1.00 0.24 H new ATOM 0 HB THR A 20 -28.981 -2.346 -3.861 1.00 0.30 H new ATOM 0 HG1 THR A 20 -29.316 -4.455 -4.891 1.00 0.38 H new ATOM 0 HG21 THR A 20 -28.098 -2.835 -6.111 1.00 0.32 H new ATOM 0 HG22 THR A 20 -27.024 -1.754 -5.192 1.00 0.32 H new ATOM 0 HG23 THR A 20 -26.607 -3.474 -5.379 1.00 0.32 H new ATOM 321 N THR A 21 -28.731 -1.716 -1.264 1.00 0.23 N ATOM 322 CA THR A 21 -29.672 -1.482 -0.180 1.00 0.26 C ATOM 323 C THR A 21 -30.463 -0.212 -0.467 1.00 0.25 C ATOM 324 O THR A 21 -30.041 0.622 -1.274 1.00 0.26 O ATOM 325 CB THR A 21 -28.974 -1.362 1.200 1.00 0.31 C ATOM 326 OG1 THR A 21 -29.945 -1.506 2.245 1.00 0.38 O ATOM 327 CG2 THR A 21 -28.281 -0.003 1.360 1.00 0.28 C ATOM 0 H THR A 21 -28.516 -0.886 -1.817 1.00 0.23 H new ATOM 0 HA THR A 21 -30.336 -2.345 -0.129 1.00 0.26 H new ATOM 0 HB THR A 21 -28.223 -2.149 1.263 1.00 0.31 H new ATOM 0 HG1 THR A 21 -29.502 -1.432 3.116 1.00 0.38 H new ATOM 0 HG21 THR A 21 -27.802 0.048 2.338 1.00 0.28 H new ATOM 0 HG22 THR A 21 -27.528 0.116 0.580 1.00 0.28 H new ATOM 0 HG23 THR A 21 -29.020 0.794 1.276 1.00 0.28 H new ATOM 335 N GLU A 22 -31.640 -0.108 0.124 1.00 0.31 N ATOM 336 CA GLU A 22 -32.479 1.064 -0.055 1.00 0.36 C ATOM 337 C GLU A 22 -32.407 1.950 1.191 1.00 0.36 C ATOM 338 O GLU A 22 -32.613 1.486 2.314 1.00 0.58 O ATOM 339 CB GLU A 22 -33.933 0.629 -0.353 1.00 0.51 C ATOM 340 CG GLU A 22 -34.529 -0.281 0.704 1.00 1.16 C ATOM 341 CD GLU A 22 -35.815 -0.928 0.230 1.00 1.77 C ATOM 342 OE1 GLU A 22 -35.751 -2.058 -0.302 1.00 2.26 O ATOM 343 OE2 GLU A 22 -36.888 -0.307 0.368 1.00 2.24 O ATOM 0 H GLU A 22 -32.037 -0.823 0.734 1.00 0.31 H new ATOM 0 HA GLU A 22 -32.119 1.645 -0.904 1.00 0.36 H new ATOM 0 HB2 GLU A 22 -34.556 1.518 -0.447 1.00 0.51 H new ATOM 0 HB3 GLU A 22 -33.959 0.118 -1.316 1.00 0.51 H new ATOM 0 HG2 GLU A 22 -33.808 -1.055 0.966 1.00 1.16 H new ATOM 0 HG3 GLU A 22 -34.723 0.293 1.610 1.00 1.16 H new ATOM 350 N ALA A 23 -32.045 3.217 1.002 1.00 0.26 N ATOM 351 CA ALA A 23 -31.916 4.149 2.122 1.00 0.28 C ATOM 352 C ALA A 23 -32.536 5.495 1.754 1.00 0.31 C ATOM 353 O ALA A 23 -32.717 5.789 0.575 1.00 0.38 O ATOM 354 CB ALA A 23 -30.445 4.320 2.506 1.00 0.32 C ATOM 0 H ALA A 23 -31.837 3.621 0.089 1.00 0.26 H new ATOM 0 HA ALA A 23 -32.448 3.743 2.983 1.00 0.28 H new ATOM 0 HB1 ALA A 23 -30.365 5.016 3.341 1.00 0.32 H new ATOM 0 HB2 ALA A 23 -30.031 3.355 2.798 1.00 0.32 H new ATOM 0 HB3 ALA A 23 -29.889 4.711 1.653 1.00 0.32 H new ATOM 360 N VAL A 24 -32.915 6.278 2.755 1.00 0.35 N ATOM 361 CA VAL A 24 -33.500 7.574 2.535 1.00 0.45 C ATOM 362 C VAL A 24 -32.422 8.670 2.413 1.00 0.49 C ATOM 363 O VAL A 24 -32.615 9.659 1.710 1.00 0.74 O ATOM 364 CB VAL A 24 -34.488 7.888 3.678 1.00 0.56 C ATOM 365 CG1 VAL A 24 -33.851 7.650 5.041 1.00 1.05 C ATOM 366 CG2 VAL A 24 -34.977 9.299 3.571 1.00 1.09 C ATOM 0 H VAL A 24 -32.821 6.024 3.738 1.00 0.35 H new ATOM 0 HA VAL A 24 -34.041 7.558 1.589 1.00 0.45 H new ATOM 0 HB VAL A 24 -35.337 7.212 3.582 1.00 0.56 H new ATOM 0 HG11 VAL A 24 -34.572 7.880 5.825 1.00 1.05 H new ATOM 0 HG12 VAL A 24 -33.546 6.607 5.123 1.00 1.05 H new ATOM 0 HG13 VAL A 24 -32.978 8.293 5.152 1.00 1.05 H new ATOM 0 HG21 VAL A 24 -35.673 9.506 4.384 1.00 1.09 H new ATOM 0 HG22 VAL A 24 -34.131 9.983 3.635 1.00 1.09 H new ATOM 0 HG23 VAL A 24 -35.484 9.437 2.616 1.00 1.09 H new ATOM 376 N ASP A 25 -31.256 8.443 3.017 1.00 0.39 N ATOM 377 CA ASP A 25 -30.172 9.425 2.965 1.00 0.45 C ATOM 378 C ASP A 25 -28.851 8.723 2.684 1.00 0.39 C ATOM 379 O ASP A 25 -28.718 7.523 2.929 1.00 0.35 O ATOM 380 CB ASP A 25 -30.079 10.224 4.275 1.00 0.54 C ATOM 381 CG ASP A 25 -29.193 11.450 4.153 1.00 1.25 C ATOM 382 OD1 ASP A 25 -29.719 12.545 3.856 1.00 1.51 O ATOM 383 OD2 ASP A 25 -27.966 11.325 4.351 1.00 2.13 O ATOM 0 H ASP A 25 -31.038 7.597 3.543 1.00 0.39 H new ATOM 0 HA ASP A 25 -30.387 10.127 2.159 1.00 0.45 H new ATOM 0 HB2 ASP A 25 -31.079 10.533 4.579 1.00 0.54 H new ATOM 0 HB3 ASP A 25 -29.692 9.578 5.063 1.00 0.54 H new ATOM 388 N ALA A 26 -27.882 9.467 2.174 1.00 0.44 N ATOM 389 CA ALA A 26 -26.584 8.906 1.833 1.00 0.46 C ATOM 390 C ALA A 26 -25.768 8.612 3.087 1.00 0.38 C ATOM 391 O ALA A 26 -25.093 7.586 3.167 1.00 0.37 O ATOM 392 CB ALA A 26 -25.825 9.858 0.919 1.00 0.59 C ATOM 0 H ALA A 26 -27.971 10.466 1.986 1.00 0.44 H new ATOM 0 HA ALA A 26 -26.747 7.965 1.308 1.00 0.46 H new ATOM 0 HB1 ALA A 26 -24.855 9.428 0.670 1.00 0.59 H new ATOM 0 HB2 ALA A 26 -26.396 10.017 0.005 1.00 0.59 H new ATOM 0 HB3 ALA A 26 -25.680 10.811 1.427 1.00 0.59 H new ATOM 398 N ALA A 27 -25.886 9.481 4.088 1.00 0.39 N ATOM 399 CA ALA A 27 -25.152 9.315 5.337 1.00 0.38 C ATOM 400 C ALA A 27 -25.551 8.011 6.018 1.00 0.31 C ATOM 401 O ALA A 27 -24.726 7.341 6.643 1.00 0.32 O ATOM 402 CB ALA A 27 -25.402 10.496 6.267 1.00 0.48 C ATOM 0 H ALA A 27 -26.483 10.307 4.057 1.00 0.39 H new ATOM 0 HA ALA A 27 -24.087 9.277 5.107 1.00 0.38 H new ATOM 0 HB1 ALA A 27 -24.846 10.354 7.194 1.00 0.48 H new ATOM 0 HB2 ALA A 27 -25.073 11.416 5.784 1.00 0.48 H new ATOM 0 HB3 ALA A 27 -26.467 10.565 6.490 1.00 0.48 H new ATOM 408 N THR A 28 -26.816 7.649 5.859 1.00 0.31 N ATOM 409 CA THR A 28 -27.349 6.420 6.424 1.00 0.30 C ATOM 410 C THR A 28 -26.841 5.209 5.643 1.00 0.24 C ATOM 411 O THR A 28 -26.608 4.142 6.211 1.00 0.28 O ATOM 412 CB THR A 28 -28.891 6.428 6.396 1.00 0.36 C ATOM 413 OG1 THR A 28 -29.382 7.718 6.789 1.00 0.46 O ATOM 414 CG2 THR A 28 -29.457 5.356 7.328 1.00 0.45 C ATOM 0 H THR A 28 -27.499 8.198 5.336 1.00 0.31 H new ATOM 0 HA THR A 28 -27.010 6.355 7.458 1.00 0.30 H new ATOM 0 HB THR A 28 -29.216 6.211 5.378 1.00 0.36 H new ATOM 0 HG1 THR A 28 -30.362 7.716 6.767 1.00 0.46 H new ATOM 0 HG21 THR A 28 -30.546 5.381 7.292 1.00 0.45 H new ATOM 0 HG22 THR A 28 -29.105 4.375 7.010 1.00 0.45 H new ATOM 0 HG23 THR A 28 -29.124 5.548 8.348 1.00 0.45 H new ATOM 422 N ALA A 29 -26.563 5.414 4.359 1.00 0.21 N ATOM 423 CA ALA A 29 -26.126 4.330 3.500 1.00 0.22 C ATOM 424 C ALA A 29 -24.691 3.958 3.816 1.00 0.21 C ATOM 425 O ALA A 29 -24.333 2.780 3.831 1.00 0.25 O ATOM 426 CB ALA A 29 -26.268 4.715 2.037 1.00 0.28 C ATOM 0 H ALA A 29 -26.634 6.320 3.896 1.00 0.21 H new ATOM 0 HA ALA A 29 -26.760 3.463 3.686 1.00 0.22 H new ATOM 0 HB1 ALA A 29 -25.935 3.888 1.409 1.00 0.28 H new ATOM 0 HB2 ALA A 29 -27.312 4.938 1.819 1.00 0.28 H new ATOM 0 HB3 ALA A 29 -25.659 5.595 1.832 1.00 0.28 H new ATOM 432 N GLU A 30 -23.887 4.968 4.110 1.00 0.19 N ATOM 433 CA GLU A 30 -22.496 4.749 4.448 1.00 0.20 C ATOM 434 C GLU A 30 -22.408 3.930 5.727 1.00 0.20 C ATOM 435 O GLU A 30 -21.862 2.830 5.739 1.00 0.23 O ATOM 436 CB GLU A 30 -21.762 6.074 4.666 1.00 0.24 C ATOM 437 CG GLU A 30 -20.259 5.972 4.434 1.00 0.35 C ATOM 438 CD GLU A 30 -19.461 6.975 5.238 1.00 0.50 C ATOM 439 OE1 GLU A 30 -19.591 8.188 4.988 1.00 1.14 O ATOM 440 OE2 GLU A 30 -18.683 6.546 6.121 1.00 1.29 O ATOM 0 H GLU A 30 -24.177 5.946 4.120 1.00 0.19 H new ATOM 0 HA GLU A 30 -22.028 4.219 3.618 1.00 0.20 H new ATOM 0 HB2 GLU A 30 -22.177 6.826 3.995 1.00 0.24 H new ATOM 0 HB3 GLU A 30 -21.944 6.420 5.684 1.00 0.24 H new ATOM 0 HG2 GLU A 30 -19.926 4.966 4.688 1.00 0.35 H new ATOM 0 HG3 GLU A 30 -20.051 6.118 3.374 1.00 0.35 H new ATOM 447 N LYS A 31 -23.015 4.472 6.787 1.00 0.20 N ATOM 448 CA LYS A 31 -22.997 3.871 8.120 1.00 0.24 C ATOM 449 C LYS A 31 -23.358 2.381 8.120 1.00 0.22 C ATOM 450 O LYS A 31 -22.663 1.575 8.740 1.00 0.26 O ATOM 451 CB LYS A 31 -23.911 4.651 9.070 1.00 0.29 C ATOM 452 CG LYS A 31 -23.341 6.011 9.445 1.00 0.39 C ATOM 453 CD LYS A 31 -21.909 5.883 9.944 1.00 1.10 C ATOM 454 CE LYS A 31 -21.303 7.230 10.297 1.00 1.86 C ATOM 455 NZ LYS A 31 -21.957 7.846 11.481 1.00 2.42 N ATOM 0 H LYS A 31 -23.536 5.347 6.742 1.00 0.20 H new ATOM 0 HA LYS A 31 -21.968 3.934 8.475 1.00 0.24 H new ATOM 0 HB2 LYS A 31 -24.886 4.786 8.601 1.00 0.29 H new ATOM 0 HB3 LYS A 31 -24.072 4.066 9.976 1.00 0.29 H new ATOM 0 HG2 LYS A 31 -23.371 6.673 8.580 1.00 0.39 H new ATOM 0 HG3 LYS A 31 -23.960 6.468 10.217 1.00 0.39 H new ATOM 0 HD2 LYS A 31 -21.888 5.236 10.821 1.00 1.10 H new ATOM 0 HD3 LYS A 31 -21.301 5.402 9.178 1.00 1.10 H new ATOM 0 HE2 LYS A 31 -20.238 7.107 10.495 1.00 1.86 H new ATOM 0 HE3 LYS A 31 -21.393 7.902 9.444 1.00 1.86 H new ATOM 0 HZ1 LYS A 31 -21.447 8.713 11.747 1.00 2.42 H new ATOM 0 HZ2 LYS A 31 -22.943 8.082 11.250 1.00 2.42 H new ATOM 0 HZ3 LYS A 31 -21.939 7.175 12.276 1.00 2.42 H new ATOM 469 N VAL A 32 -24.405 2.009 7.394 1.00 0.20 N ATOM 470 CA VAL A 32 -24.836 0.613 7.347 1.00 0.22 C ATOM 471 C VAL A 32 -23.812 -0.257 6.620 1.00 0.18 C ATOM 472 O VAL A 32 -23.427 -1.316 7.120 1.00 0.20 O ATOM 473 CB VAL A 32 -26.217 0.471 6.667 1.00 0.25 C ATOM 474 CG1 VAL A 32 -26.647 -0.990 6.593 1.00 0.30 C ATOM 475 CG2 VAL A 32 -27.261 1.303 7.397 1.00 0.29 C ATOM 0 H VAL A 32 -24.969 2.647 6.833 1.00 0.20 H new ATOM 0 HA VAL A 32 -24.920 0.270 8.378 1.00 0.22 H new ATOM 0 HB VAL A 32 -26.129 0.845 5.647 1.00 0.25 H new ATOM 0 HG11 VAL A 32 -27.622 -1.058 6.110 1.00 0.30 H new ATOM 0 HG12 VAL A 32 -25.916 -1.556 6.016 1.00 0.30 H new ATOM 0 HG13 VAL A 32 -26.712 -1.402 7.600 1.00 0.30 H new ATOM 0 HG21 VAL A 32 -28.226 1.190 6.904 1.00 0.29 H new ATOM 0 HG22 VAL A 32 -27.340 0.964 8.430 1.00 0.29 H new ATOM 0 HG23 VAL A 32 -26.966 2.352 7.381 1.00 0.29 H new ATOM 485 N PHE A 33 -23.323 0.210 5.477 1.00 0.16 N ATOM 486 CA PHE A 33 -22.334 -0.548 4.721 1.00 0.15 C ATOM 487 C PHE A 33 -20.975 -0.557 5.427 1.00 0.15 C ATOM 488 O PHE A 33 -20.125 -1.383 5.109 1.00 0.17 O ATOM 489 CB PHE A 33 -22.176 -0.002 3.304 1.00 0.17 C ATOM 490 CG PHE A 33 -23.244 -0.444 2.332 1.00 0.17 C ATOM 491 CD1 PHE A 33 -23.691 -1.756 2.314 1.00 1.09 C ATOM 492 CD2 PHE A 33 -23.782 0.455 1.421 1.00 1.01 C ATOM 493 CE1 PHE A 33 -24.655 -2.165 1.407 1.00 1.11 C ATOM 494 CE2 PHE A 33 -24.749 0.054 0.512 1.00 1.02 C ATOM 495 CZ PHE A 33 -25.185 -1.260 0.503 1.00 0.29 C ATOM 0 H PHE A 33 -23.592 1.100 5.057 1.00 0.16 H new ATOM 0 HA PHE A 33 -22.701 -1.573 4.660 1.00 0.15 H new ATOM 0 HB2 PHE A 33 -22.173 1.087 3.348 1.00 0.17 H new ATOM 0 HB3 PHE A 33 -21.204 -0.309 2.918 1.00 0.17 H new ATOM 0 HD1 PHE A 33 -23.283 -2.468 3.016 1.00 1.09 H new ATOM 0 HD2 PHE A 33 -23.443 1.480 1.420 1.00 1.01 H new ATOM 0 HE1 PHE A 33 -24.993 -3.191 1.405 1.00 1.11 H new ATOM 0 HE2 PHE A 33 -25.162 0.766 -0.188 1.00 1.02 H new ATOM 0 HZ PHE A 33 -25.935 -1.578 -0.206 1.00 0.29 H new ATOM 505 N LYS A 34 -20.761 0.352 6.380 1.00 0.16 N ATOM 506 CA LYS A 34 -19.518 0.370 7.136 1.00 0.20 C ATOM 507 C LYS A 34 -19.442 -0.865 8.016 1.00 0.20 C ATOM 508 O LYS A 34 -18.429 -1.552 8.052 1.00 0.22 O ATOM 509 CB LYS A 34 -19.416 1.634 7.998 1.00 0.29 C ATOM 510 CG LYS A 34 -19.276 2.907 7.231 1.00 0.43 C ATOM 511 CD LYS A 34 -18.329 3.803 7.990 1.00 0.38 C ATOM 512 CE LYS A 34 -16.879 3.465 7.695 1.00 0.46 C ATOM 513 NZ LYS A 34 -16.364 4.176 6.493 1.00 1.09 N ATOM 0 H LYS A 34 -21.429 1.077 6.641 1.00 0.16 H new ATOM 0 HA LYS A 34 -18.685 0.372 6.433 1.00 0.20 H new ATOM 0 HB2 LYS A 34 -20.304 1.701 8.626 1.00 0.29 H new ATOM 0 HB3 LYS A 34 -18.560 1.533 8.666 1.00 0.29 H new ATOM 0 HG2 LYS A 34 -18.894 2.709 6.229 1.00 0.43 H new ATOM 0 HG3 LYS A 34 -20.246 3.390 7.113 1.00 0.43 H new ATOM 0 HD2 LYS A 34 -18.521 4.843 7.726 1.00 0.38 H new ATOM 0 HD3 LYS A 34 -18.515 3.706 9.060 1.00 0.38 H new ATOM 0 HE2 LYS A 34 -16.266 3.724 8.558 1.00 0.46 H new ATOM 0 HE3 LYS A 34 -16.782 2.389 7.547 1.00 0.46 H new ATOM 0 HZ1 LYS A 34 -15.389 4.493 6.668 1.00 1.09 H new ATOM 0 HZ2 LYS A 34 -16.377 3.532 5.677 1.00 1.09 H new ATOM 0 HZ3 LYS A 34 -16.965 5.001 6.293 1.00 1.09 H new ATOM 527 N GLN A 35 -20.553 -1.172 8.673 1.00 0.21 N ATOM 528 CA GLN A 35 -20.648 -2.350 9.521 1.00 0.24 C ATOM 529 C GLN A 35 -20.650 -3.599 8.647 1.00 0.21 C ATOM 530 O GLN A 35 -20.117 -4.644 9.017 1.00 0.24 O ATOM 531 CB GLN A 35 -21.922 -2.285 10.378 1.00 0.32 C ATOM 532 CG GLN A 35 -22.033 -3.398 11.411 1.00 0.43 C ATOM 533 CD GLN A 35 -20.936 -3.352 12.468 1.00 1.28 C ATOM 534 OE1 GLN A 35 -19.806 -2.926 12.212 1.00 2.20 O ATOM 535 NE2 GLN A 35 -21.261 -3.800 13.671 1.00 1.82 N ATOM 0 H GLN A 35 -21.407 -0.615 8.633 1.00 0.21 H new ATOM 0 HA GLN A 35 -19.790 -2.387 10.192 1.00 0.24 H new ATOM 0 HB2 GLN A 35 -21.954 -1.324 10.891 1.00 0.32 H new ATOM 0 HB3 GLN A 35 -22.791 -2.325 9.722 1.00 0.32 H new ATOM 0 HG2 GLN A 35 -23.004 -3.333 11.902 1.00 0.43 H new ATOM 0 HG3 GLN A 35 -21.997 -4.361 10.902 1.00 0.43 H new ATOM 0 HE21 GLN A 35 -22.204 -4.145 13.849 1.00 1.82 H new ATOM 0 HE22 GLN A 35 -20.568 -3.800 14.420 1.00 1.82 H new ATOM 544 N TYR A 36 -21.192 -3.443 7.447 1.00 0.19 N ATOM 545 CA TYR A 36 -21.245 -4.515 6.471 1.00 0.18 C ATOM 546 C TYR A 36 -19.840 -4.851 5.971 1.00 0.17 C ATOM 547 O TYR A 36 -19.445 -6.016 5.925 1.00 0.19 O ATOM 548 CB TYR A 36 -22.152 -4.097 5.311 1.00 0.19 C ATOM 549 CG TYR A 36 -21.987 -4.929 4.062 1.00 0.21 C ATOM 550 CD1 TYR A 36 -22.510 -6.208 4.013 1.00 1.21 C ATOM 551 CD2 TYR A 36 -21.313 -4.448 2.944 1.00 1.11 C ATOM 552 CE1 TYR A 36 -22.378 -6.994 2.888 1.00 1.24 C ATOM 553 CE2 TYR A 36 -21.174 -5.228 1.811 1.00 1.12 C ATOM 554 CZ TYR A 36 -21.656 -6.419 1.741 1.00 0.34 C ATOM 555 OH TYR A 36 -21.574 -7.276 0.659 1.00 0.42 O ATOM 0 H TYR A 36 -21.607 -2.568 7.126 1.00 0.19 H new ATOM 0 HA TYR A 36 -21.656 -5.411 6.937 1.00 0.18 H new ATOM 0 HB2 TYR A 36 -23.190 -4.155 5.638 1.00 0.19 H new ATOM 0 HB3 TYR A 36 -21.953 -3.053 5.067 1.00 0.19 H new ATOM 0 HD1 TYR A 36 -23.033 -6.599 4.873 1.00 1.21 H new ATOM 0 HD2 TYR A 36 -20.893 -3.453 2.961 1.00 1.11 H new ATOM 0 HE1 TYR A 36 -22.788 -7.992 2.850 1.00 1.24 H new ATOM 0 HE2 TYR A 36 -20.645 -4.826 0.960 1.00 1.12 H new ATOM 0 HH TYR A 36 -21.545 -6.754 -0.170 1.00 0.42 H new ATOM 565 N ALA A 37 -19.085 -3.822 5.601 1.00 0.15 N ATOM 566 CA ALA A 37 -17.722 -4.007 5.129 1.00 0.16 C ATOM 567 C ALA A 37 -16.821 -4.419 6.285 1.00 0.18 C ATOM 568 O ALA A 37 -15.869 -5.178 6.106 1.00 0.22 O ATOM 569 CB ALA A 37 -17.209 -2.732 4.478 1.00 0.17 C ATOM 0 H ALA A 37 -19.397 -2.851 5.620 1.00 0.15 H new ATOM 0 HA ALA A 37 -17.713 -4.800 4.381 1.00 0.16 H new ATOM 0 HB1 ALA A 37 -16.188 -2.887 4.130 1.00 0.17 H new ATOM 0 HB2 ALA A 37 -17.846 -2.474 3.632 1.00 0.17 H new ATOM 0 HB3 ALA A 37 -17.225 -1.920 5.205 1.00 0.17 H new ATOM 575 N ASN A 38 -17.148 -3.923 7.477 1.00 0.20 N ATOM 576 CA ASN A 38 -16.409 -4.273 8.694 1.00 0.26 C ATOM 577 C ASN A 38 -16.535 -5.768 8.956 1.00 0.28 C ATOM 578 O ASN A 38 -15.554 -6.448 9.259 1.00 0.36 O ATOM 579 CB ASN A 38 -16.945 -3.488 9.910 1.00 0.31 C ATOM 580 CG ASN A 38 -16.128 -3.718 11.183 1.00 0.44 C ATOM 581 OD1 ASN A 38 -15.165 -2.999 11.443 1.00 1.03 O ATOM 582 ND2 ASN A 38 -16.515 -4.698 11.997 1.00 1.39 N ATOM 0 H ASN A 38 -17.922 -3.276 7.629 1.00 0.20 H new ATOM 0 HA ASN A 38 -15.361 -4.010 8.548 1.00 0.26 H new ATOM 0 HB2 ASN A 38 -16.948 -2.424 9.675 1.00 0.31 H new ATOM 0 HB3 ASN A 38 -17.980 -3.776 10.093 1.00 0.31 H new ATOM 0 HD21 ASN A 38 -16.008 -4.870 12.865 1.00 1.39 H new ATOM 0 HD22 ASN A 38 -17.318 -5.277 11.752 1.00 1.39 H new ATOM 589 N ASP A 39 -17.741 -6.280 8.754 1.00 0.30 N ATOM 590 CA ASP A 39 -18.029 -7.694 8.964 1.00 0.38 C ATOM 591 C ASP A 39 -17.375 -8.548 7.880 1.00 0.33 C ATOM 592 O ASP A 39 -17.149 -9.744 8.064 1.00 0.41 O ATOM 593 CB ASP A 39 -19.541 -7.920 8.977 1.00 0.53 C ATOM 594 CG ASP A 39 -19.906 -9.338 9.361 1.00 1.14 C ATOM 595 OD1 ASP A 39 -20.308 -10.116 8.471 1.00 1.78 O ATOM 596 OD2 ASP A 39 -19.792 -9.681 10.558 1.00 1.77 O ATOM 0 H ASP A 39 -18.543 -5.732 8.442 1.00 0.30 H new ATOM 0 HA ASP A 39 -17.615 -7.993 9.927 1.00 0.38 H new ATOM 0 HB2 ASP A 39 -20.004 -7.225 9.678 1.00 0.53 H new ATOM 0 HB3 ASP A 39 -19.948 -7.697 7.991 1.00 0.53 H new ATOM 601 N ASN A 40 -17.041 -7.918 6.756 1.00 0.28 N ATOM 602 CA ASN A 40 -16.385 -8.608 5.653 1.00 0.34 C ATOM 603 C ASN A 40 -14.870 -8.465 5.758 1.00 0.32 C ATOM 604 O ASN A 40 -14.122 -9.142 5.054 1.00 0.46 O ATOM 605 CB ASN A 40 -16.883 -8.068 4.305 1.00 0.42 C ATOM 606 CG ASN A 40 -18.150 -8.766 3.830 1.00 0.92 C ATOM 607 OD1 ASN A 40 -18.084 -9.791 3.158 1.00 1.78 O ATOM 608 ND2 ASN A 40 -19.312 -8.214 4.161 1.00 0.78 N ATOM 0 H ASN A 40 -17.216 -6.927 6.587 1.00 0.28 H new ATOM 0 HA ASN A 40 -16.637 -9.667 5.713 1.00 0.34 H new ATOM 0 HB2 ASN A 40 -17.073 -6.998 4.393 1.00 0.42 H new ATOM 0 HB3 ASN A 40 -16.101 -8.192 3.556 1.00 0.42 H new ATOM 0 HD21 ASN A 40 -20.186 -8.643 3.855 1.00 0.78 H new ATOM 0 HD22 ASN A 40 -19.331 -7.362 4.721 1.00 0.78 H new ATOM 615 N GLY A 41 -14.426 -7.564 6.628 1.00 0.25 N ATOM 616 CA GLY A 41 -13.008 -7.372 6.850 1.00 0.33 C ATOM 617 C GLY A 41 -12.352 -6.501 5.795 1.00 0.28 C ATOM 618 O GLY A 41 -11.169 -6.675 5.503 1.00 0.37 O ATOM 0 H GLY A 41 -15.029 -6.960 7.186 1.00 0.25 H new ATOM 0 HA2 GLY A 41 -12.858 -6.920 7.830 1.00 0.33 H new ATOM 0 HA3 GLY A 41 -12.515 -8.344 6.868 1.00 0.33 H new ATOM 622 N VAL A 42 -13.100 -5.572 5.212 1.00 0.23 N ATOM 623 CA VAL A 42 -12.541 -4.701 4.209 1.00 0.26 C ATOM 624 C VAL A 42 -12.327 -3.299 4.760 1.00 0.36 C ATOM 625 O VAL A 42 -13.277 -2.614 5.143 1.00 0.46 O ATOM 626 CB VAL A 42 -13.417 -4.637 2.942 1.00 0.28 C ATOM 627 CG1 VAL A 42 -12.752 -3.743 1.902 1.00 0.35 C ATOM 628 CG2 VAL A 42 -13.645 -6.034 2.394 1.00 0.29 C ATOM 0 H VAL A 42 -14.085 -5.410 5.420 1.00 0.23 H new ATOM 0 HA VAL A 42 -11.577 -5.125 3.930 1.00 0.26 H new ATOM 0 HB VAL A 42 -14.388 -4.210 3.194 1.00 0.28 H new ATOM 0 HG11 VAL A 42 -13.374 -3.700 1.008 1.00 0.35 H new ATOM 0 HG12 VAL A 42 -12.632 -2.739 2.309 1.00 0.35 H new ATOM 0 HG13 VAL A 42 -11.774 -4.150 1.645 1.00 0.35 H new ATOM 0 HG21 VAL A 42 -14.265 -5.977 1.499 1.00 0.29 H new ATOM 0 HG22 VAL A 42 -12.686 -6.487 2.143 1.00 0.29 H new ATOM 0 HG23 VAL A 42 -14.148 -6.642 3.146 1.00 0.29 H new ATOM 638 N ASP A 43 -11.066 -2.891 4.801 1.00 0.42 N ATOM 639 CA ASP A 43 -10.692 -1.549 5.266 1.00 0.55 C ATOM 640 C ASP A 43 -10.103 -0.782 4.088 1.00 0.47 C ATOM 641 O ASP A 43 -9.269 -1.326 3.360 1.00 0.68 O ATOM 642 CB ASP A 43 -9.658 -1.568 6.422 1.00 0.80 C ATOM 643 CG ASP A 43 -10.192 -2.154 7.717 1.00 1.29 C ATOM 644 OD1 ASP A 43 -10.549 -1.376 8.631 1.00 1.86 O ATOM 645 OD2 ASP A 43 -10.299 -3.400 7.809 1.00 1.80 O ATOM 0 H ASP A 43 -10.275 -3.469 4.517 1.00 0.42 H new ATOM 0 HA ASP A 43 -11.592 -1.072 5.654 1.00 0.55 H new ATOM 0 HB2 ASP A 43 -8.787 -2.142 6.107 1.00 0.80 H new ATOM 0 HB3 ASP A 43 -9.318 -0.549 6.609 1.00 0.80 H new ATOM 650 N GLY A 44 -10.541 0.455 3.870 1.00 0.43 N ATOM 651 CA GLY A 44 -10.040 1.205 2.744 1.00 0.37 C ATOM 652 C GLY A 44 -10.658 2.574 2.634 1.00 0.34 C ATOM 653 O GLY A 44 -11.417 2.995 3.510 1.00 0.38 O ATOM 0 H GLY A 44 -11.226 0.942 4.448 1.00 0.43 H new ATOM 0 HA2 GLY A 44 -8.958 1.306 2.832 1.00 0.37 H new ATOM 0 HA3 GLY A 44 -10.234 0.649 1.827 1.00 0.37 H new ATOM 657 N GLU A 45 -10.315 3.275 1.568 1.00 0.34 N ATOM 658 CA GLU A 45 -10.874 4.589 1.312 1.00 0.35 C ATOM 659 C GLU A 45 -12.325 4.474 0.873 1.00 0.29 C ATOM 660 O GLU A 45 -12.722 3.490 0.242 1.00 0.43 O ATOM 661 CB GLU A 45 -10.073 5.338 0.243 1.00 0.45 C ATOM 662 CG GLU A 45 -8.632 5.619 0.636 1.00 1.27 C ATOM 663 CD GLU A 45 -7.681 4.516 0.222 1.00 2.01 C ATOM 664 OE1 GLU A 45 -7.720 3.429 0.830 1.00 2.79 O ATOM 665 OE2 GLU A 45 -6.883 4.744 -0.709 1.00 2.57 O ATOM 0 H GLU A 45 -9.650 2.954 0.864 1.00 0.34 H new ATOM 0 HA GLU A 45 -10.821 5.154 2.242 1.00 0.35 H new ATOM 0 HB2 GLU A 45 -10.081 4.755 -0.678 1.00 0.45 H new ATOM 0 HB3 GLU A 45 -10.571 6.283 0.026 1.00 0.45 H new ATOM 0 HG2 GLU A 45 -8.313 6.556 0.180 1.00 1.27 H new ATOM 0 HG3 GLU A 45 -8.575 5.754 1.716 1.00 1.27 H new ATOM 672 N TRP A 46 -13.099 5.500 1.174 1.00 0.22 N ATOM 673 CA TRP A 46 -14.512 5.507 0.831 1.00 0.24 C ATOM 674 C TRP A 46 -14.802 6.544 -0.245 1.00 0.28 C ATOM 675 O TRP A 46 -14.798 7.747 0.010 1.00 0.41 O ATOM 676 CB TRP A 46 -15.379 5.733 2.085 1.00 0.31 C ATOM 677 CG TRP A 46 -15.635 4.457 2.827 1.00 0.29 C ATOM 678 CD1 TRP A 46 -14.708 3.722 3.512 1.00 0.32 C ATOM 679 CD2 TRP A 46 -16.880 3.745 2.951 1.00 0.28 C ATOM 680 NE1 TRP A 46 -15.285 2.603 4.041 1.00 0.34 N ATOM 681 CE2 TRP A 46 -16.616 2.593 3.715 1.00 0.31 C ATOM 682 CE3 TRP A 46 -18.194 3.954 2.493 1.00 0.29 C ATOM 683 CZ2 TRP A 46 -17.595 1.668 4.034 1.00 0.35 C ATOM 684 CZ3 TRP A 46 -19.166 3.031 2.823 1.00 0.32 C ATOM 685 CH2 TRP A 46 -18.864 1.900 3.584 1.00 0.35 C ATOM 0 H TRP A 46 -12.775 6.339 1.655 1.00 0.22 H new ATOM 0 HA TRP A 46 -14.772 4.530 0.424 1.00 0.24 H new ATOM 0 HB2 TRP A 46 -14.882 6.443 2.746 1.00 0.31 H new ATOM 0 HB3 TRP A 46 -16.329 6.180 1.793 1.00 0.31 H new ATOM 0 HD1 TRP A 46 -13.667 3.988 3.620 1.00 0.32 H new ATOM 0 HE1 TRP A 46 -14.804 1.890 4.590 1.00 0.34 H new ATOM 0 HE3 TRP A 46 -18.437 4.820 1.895 1.00 0.29 H new ATOM 0 HZ2 TRP A 46 -17.363 0.791 4.620 1.00 0.35 H new ATOM 0 HZ3 TRP A 46 -20.180 3.187 2.486 1.00 0.32 H new ATOM 0 HH2 TRP A 46 -19.648 1.196 3.821 1.00 0.35 H new ATOM 696 N THR A 47 -14.995 6.065 -1.463 1.00 0.29 N ATOM 697 CA THR A 47 -15.271 6.933 -2.589 1.00 0.35 C ATOM 698 C THR A 47 -16.743 6.855 -2.954 1.00 0.31 C ATOM 699 O THR A 47 -17.404 5.852 -2.672 1.00 0.28 O ATOM 700 CB THR A 47 -14.403 6.552 -3.801 1.00 0.43 C ATOM 701 OG1 THR A 47 -14.419 5.129 -3.981 1.00 0.53 O ATOM 702 CG2 THR A 47 -12.976 7.029 -3.602 1.00 0.63 C ATOM 0 H THR A 47 -14.965 5.072 -1.695 1.00 0.29 H new ATOM 0 HA THR A 47 -15.027 7.956 -2.304 1.00 0.35 H new ATOM 0 HB THR A 47 -14.812 7.034 -4.689 1.00 0.43 H new ATOM 0 HG1 THR A 47 -13.866 4.891 -4.755 1.00 0.53 H new ATOM 0 HG21 THR A 47 -12.375 6.751 -4.468 1.00 0.63 H new ATOM 0 HG22 THR A 47 -12.967 8.113 -3.487 1.00 0.63 H new ATOM 0 HG23 THR A 47 -12.559 6.566 -2.708 1.00 0.63 H new ATOM 710 N TYR A 48 -17.258 7.901 -3.579 1.00 0.38 N ATOM 711 CA TYR A 48 -18.672 7.936 -3.923 1.00 0.37 C ATOM 712 C TYR A 48 -18.899 8.725 -5.209 1.00 0.42 C ATOM 713 O TYR A 48 -18.145 9.645 -5.525 1.00 0.51 O ATOM 714 CB TYR A 48 -19.509 8.514 -2.757 1.00 0.41 C ATOM 715 CG TYR A 48 -20.976 8.752 -3.092 1.00 0.44 C ATOM 716 CD1 TYR A 48 -21.436 10.036 -3.356 1.00 1.14 C ATOM 717 CD2 TYR A 48 -21.902 7.704 -3.147 1.00 1.15 C ATOM 718 CE1 TYR A 48 -22.761 10.274 -3.665 1.00 1.18 C ATOM 719 CE2 TYR A 48 -23.225 7.941 -3.454 1.00 1.18 C ATOM 720 CZ TYR A 48 -23.665 9.148 -3.695 1.00 0.61 C ATOM 721 OH TYR A 48 -24.969 9.455 -4.020 1.00 0.70 O ATOM 0 H TYR A 48 -16.728 8.727 -3.856 1.00 0.38 H new ATOM 0 HA TYR A 48 -19.005 6.913 -4.097 1.00 0.37 H new ATOM 0 HB2 TYR A 48 -19.449 7.831 -1.909 1.00 0.41 H new ATOM 0 HB3 TYR A 48 -19.064 9.457 -2.439 1.00 0.41 H new ATOM 0 HD1 TYR A 48 -20.744 10.864 -3.319 1.00 1.14 H new ATOM 0 HD2 TYR A 48 -21.575 6.694 -2.946 1.00 1.15 H new ATOM 0 HE1 TYR A 48 -23.111 11.273 -3.878 1.00 1.18 H new ATOM 0 HE2 TYR A 48 -23.914 7.110 -3.496 1.00 1.18 H new ATOM 0 HH TYR A 48 -25.007 10.355 -4.405 1.00 0.70 H new ATOM 731 N ASP A 49 -19.936 8.338 -5.944 1.00 0.42 N ATOM 732 CA ASP A 49 -20.297 9.008 -7.203 1.00 0.51 C ATOM 733 C ASP A 49 -21.789 9.347 -7.158 1.00 0.53 C ATOM 734 O ASP A 49 -22.611 8.490 -6.825 1.00 0.55 O ATOM 735 CB ASP A 49 -19.973 8.124 -8.435 1.00 0.57 C ATOM 736 CG ASP A 49 -20.378 8.787 -9.734 1.00 1.22 C ATOM 737 OD1 ASP A 49 -19.589 9.605 -10.253 1.00 2.07 O ATOM 738 OD2 ASP A 49 -21.478 8.490 -10.240 1.00 1.52 O ATOM 0 H ASP A 49 -20.548 7.561 -5.694 1.00 0.42 H new ATOM 0 HA ASP A 49 -19.707 9.919 -7.306 1.00 0.51 H new ATOM 0 HB2 ASP A 49 -18.905 7.909 -8.456 1.00 0.57 H new ATOM 0 HB3 ASP A 49 -20.488 7.168 -8.340 1.00 0.57 H new ATOM 743 N ASP A 50 -22.148 10.589 -7.484 1.00 0.68 N ATOM 744 CA ASP A 50 -23.533 11.051 -7.331 1.00 0.76 C ATOM 745 C ASP A 50 -24.391 10.665 -8.537 1.00 0.73 C ATOM 746 O ASP A 50 -25.614 10.573 -8.429 1.00 0.84 O ATOM 747 CB ASP A 50 -23.563 12.594 -7.141 1.00 1.00 C ATOM 748 CG ASP A 50 -23.286 13.329 -8.435 1.00 1.56 C ATOM 749 OD1 ASP A 50 -22.153 13.225 -8.956 1.00 2.28 O ATOM 750 OD2 ASP A 50 -24.197 14.021 -8.931 1.00 2.15 O ATOM 0 H ASP A 50 -21.506 11.291 -7.853 1.00 0.68 H new ATOM 0 HA ASP A 50 -23.949 10.564 -6.449 1.00 0.76 H new ATOM 0 HB2 ASP A 50 -24.538 12.893 -6.755 1.00 1.00 H new ATOM 0 HB3 ASP A 50 -22.823 12.882 -6.395 1.00 1.00 H new ATOM 755 N ALA A 51 -23.759 10.417 -9.672 1.00 0.70 N ATOM 756 CA ALA A 51 -24.492 10.046 -10.876 1.00 0.78 C ATOM 757 C ALA A 51 -24.955 8.592 -10.816 1.00 0.75 C ATOM 758 O ALA A 51 -26.049 8.258 -11.273 1.00 0.91 O ATOM 759 CB ALA A 51 -23.636 10.288 -12.114 1.00 0.91 C ATOM 0 H ALA A 51 -22.747 10.465 -9.787 1.00 0.70 H new ATOM 0 HA ALA A 51 -25.380 10.675 -10.938 1.00 0.78 H new ATOM 0 HB1 ALA A 51 -24.197 10.006 -13.005 1.00 0.91 H new ATOM 0 HB2 ALA A 51 -23.370 11.343 -12.172 1.00 0.91 H new ATOM 0 HB3 ALA A 51 -22.728 9.688 -12.052 1.00 0.91 H new ATOM 765 N THR A 52 -24.125 7.734 -10.242 1.00 0.63 N ATOM 766 CA THR A 52 -24.433 6.317 -10.153 1.00 0.65 C ATOM 767 C THR A 52 -24.979 5.926 -8.781 1.00 0.55 C ATOM 768 O THR A 52 -25.595 4.864 -8.641 1.00 0.62 O ATOM 769 CB THR A 52 -23.181 5.469 -10.457 1.00 0.74 C ATOM 770 OG1 THR A 52 -22.081 5.920 -9.651 1.00 1.06 O ATOM 771 CG2 THR A 52 -22.810 5.559 -11.932 1.00 1.19 C ATOM 0 H THR A 52 -23.230 7.997 -9.830 1.00 0.63 H new ATOM 0 HA THR A 52 -25.206 6.120 -10.896 1.00 0.65 H new ATOM 0 HB THR A 52 -23.404 4.429 -10.220 1.00 0.74 H new ATOM 0 HG1 THR A 52 -21.778 6.795 -9.971 1.00 1.06 H new ATOM 0 HG21 THR A 52 -21.924 4.953 -12.122 1.00 1.19 H new ATOM 0 HG22 THR A 52 -23.638 5.192 -12.538 1.00 1.19 H new ATOM 0 HG23 THR A 52 -22.602 6.597 -12.192 1.00 1.19 H new ATOM 779 N LYS A 53 -24.768 6.789 -7.777 1.00 0.47 N ATOM 780 CA LYS A 53 -25.202 6.503 -6.396 1.00 0.46 C ATOM 781 C LYS A 53 -24.483 5.248 -5.908 1.00 0.39 C ATOM 782 O LYS A 53 -25.069 4.367 -5.275 1.00 0.49 O ATOM 783 CB LYS A 53 -26.729 6.314 -6.313 1.00 0.59 C ATOM 784 CG LYS A 53 -27.528 7.405 -6.997 1.00 0.81 C ATOM 785 CD LYS A 53 -27.433 8.713 -6.233 1.00 0.87 C ATOM 786 CE LYS A 53 -28.068 8.609 -4.854 1.00 1.57 C ATOM 787 NZ LYS A 53 -27.948 9.875 -4.078 1.00 2.08 N ATOM 0 H LYS A 53 -24.301 7.689 -7.891 1.00 0.47 H new ATOM 0 HA LYS A 53 -24.947 7.351 -5.761 1.00 0.46 H new ATOM 0 HB2 LYS A 53 -26.990 5.354 -6.759 1.00 0.59 H new ATOM 0 HB3 LYS A 53 -27.022 6.268 -5.264 1.00 0.59 H new ATOM 0 HG2 LYS A 53 -27.160 7.546 -8.013 1.00 0.81 H new ATOM 0 HG3 LYS A 53 -28.572 7.101 -7.075 1.00 0.81 H new ATOM 0 HD2 LYS A 53 -26.386 8.999 -6.131 1.00 0.87 H new ATOM 0 HD3 LYS A 53 -27.925 9.502 -6.801 1.00 0.87 H new ATOM 0 HE2 LYS A 53 -29.121 8.349 -4.960 1.00 1.57 H new ATOM 0 HE3 LYS A 53 -27.595 7.799 -4.299 1.00 1.57 H new ATOM 0 HZ1 LYS A 53 -28.255 9.712 -3.098 1.00 2.08 H new ATOM 0 HZ2 LYS A 53 -26.958 10.192 -4.082 1.00 2.08 H new ATOM 0 HZ3 LYS A 53 -28.547 10.606 -4.512 1.00 2.08 H new ATOM 801 N THR A 54 -23.182 5.237 -6.128 1.00 0.34 N ATOM 802 CA THR A 54 -22.350 4.079 -5.846 1.00 0.31 C ATOM 803 C THR A 54 -21.297 4.376 -4.780 1.00 0.28 C ATOM 804 O THR A 54 -20.527 5.332 -4.907 1.00 0.35 O ATOM 805 CB THR A 54 -21.615 3.615 -7.125 1.00 0.38 C ATOM 806 OG1 THR A 54 -22.534 3.561 -8.217 1.00 0.51 O ATOM 807 CG2 THR A 54 -20.969 2.235 -6.932 1.00 0.41 C ATOM 0 H THR A 54 -22.669 6.033 -6.508 1.00 0.34 H new ATOM 0 HA THR A 54 -23.018 3.299 -5.481 1.00 0.31 H new ATOM 0 HB THR A 54 -20.825 4.335 -7.338 1.00 0.38 H new ATOM 0 HG1 THR A 54 -22.061 3.284 -9.029 1.00 0.51 H new ATOM 0 HG21 THR A 54 -20.461 1.939 -7.850 1.00 0.41 H new ATOM 0 HG22 THR A 54 -20.247 2.282 -6.117 1.00 0.41 H new ATOM 0 HG23 THR A 54 -21.740 1.503 -6.692 1.00 0.41 H new ATOM 815 N TYR A 55 -21.291 3.572 -3.725 1.00 0.21 N ATOM 816 CA TYR A 55 -20.251 3.644 -2.699 1.00 0.21 C ATOM 817 C TYR A 55 -19.175 2.609 -3.020 1.00 0.21 C ATOM 818 O TYR A 55 -19.489 1.462 -3.333 1.00 0.24 O ATOM 819 CB TYR A 55 -20.806 3.404 -1.273 1.00 0.24 C ATOM 820 CG TYR A 55 -21.420 4.636 -0.639 1.00 0.30 C ATOM 821 CD1 TYR A 55 -22.750 4.987 -0.858 1.00 1.14 C ATOM 822 CD2 TYR A 55 -20.655 5.449 0.191 1.00 1.06 C ATOM 823 CE1 TYR A 55 -23.291 6.122 -0.280 1.00 1.19 C ATOM 824 CE2 TYR A 55 -21.188 6.580 0.774 1.00 1.12 C ATOM 825 CZ TYR A 55 -22.505 6.912 0.539 1.00 0.56 C ATOM 826 OH TYR A 55 -23.030 8.049 1.112 1.00 0.70 O ATOM 0 H TYR A 55 -21.998 2.857 -3.554 1.00 0.21 H new ATOM 0 HA TYR A 55 -19.834 4.651 -2.709 1.00 0.21 H new ATOM 0 HB2 TYR A 55 -21.557 2.615 -1.314 1.00 0.24 H new ATOM 0 HB3 TYR A 55 -19.999 3.043 -0.635 1.00 0.24 H new ATOM 0 HD1 TYR A 55 -23.368 4.364 -1.488 1.00 1.14 H new ATOM 0 HD2 TYR A 55 -19.624 5.190 0.383 1.00 1.06 H new ATOM 0 HE1 TYR A 55 -24.321 6.389 -0.467 1.00 1.19 H new ATOM 0 HE2 TYR A 55 -20.577 7.202 1.411 1.00 1.12 H new ATOM 0 HH TYR A 55 -23.704 7.798 1.778 1.00 0.70 H new ATOM 836 N THR A 56 -17.921 3.018 -3.024 1.00 0.24 N ATOM 837 CA THR A 56 -16.836 2.096 -3.326 1.00 0.29 C ATOM 838 C THR A 56 -15.805 2.082 -2.204 1.00 0.25 C ATOM 839 O THR A 56 -15.269 3.128 -1.829 1.00 0.28 O ATOM 840 CB THR A 56 -16.146 2.459 -4.658 1.00 0.38 C ATOM 841 OG1 THR A 56 -17.123 2.503 -5.705 1.00 0.96 O ATOM 842 CG2 THR A 56 -15.061 1.441 -5.014 1.00 0.74 C ATOM 0 H THR A 56 -17.627 3.974 -2.824 1.00 0.24 H new ATOM 0 HA THR A 56 -17.273 1.102 -3.419 1.00 0.29 H new ATOM 0 HB THR A 56 -15.675 3.435 -4.545 1.00 0.38 H new ATOM 0 HG1 THR A 56 -16.686 2.735 -6.551 1.00 0.96 H new ATOM 0 HG21 THR A 56 -14.593 1.723 -5.957 1.00 0.74 H new ATOM 0 HG22 THR A 56 -14.308 1.422 -4.226 1.00 0.74 H new ATOM 0 HG23 THR A 56 -15.508 0.452 -5.113 1.00 0.74 H new ATOM 850 N VAL A 57 -15.543 0.897 -1.663 1.00 0.24 N ATOM 851 CA VAL A 57 -14.535 0.755 -0.622 1.00 0.23 C ATOM 852 C VAL A 57 -13.322 0.055 -1.224 1.00 0.24 C ATOM 853 O VAL A 57 -13.395 -1.102 -1.640 1.00 0.30 O ATOM 854 CB VAL A 57 -15.057 0.015 0.662 1.00 0.25 C ATOM 855 CG1 VAL A 57 -15.498 -1.422 0.388 1.00 0.28 C ATOM 856 CG2 VAL A 57 -13.997 0.038 1.753 1.00 0.27 C ATOM 0 H VAL A 57 -16.010 0.029 -1.926 1.00 0.24 H new ATOM 0 HA VAL A 57 -14.261 1.750 -0.272 1.00 0.23 H new ATOM 0 HB VAL A 57 -15.941 0.558 0.996 1.00 0.25 H new ATOM 0 HG11 VAL A 57 -15.848 -1.878 1.314 1.00 0.28 H new ATOM 0 HG12 VAL A 57 -16.306 -1.421 -0.344 1.00 0.28 H new ATOM 0 HG13 VAL A 57 -14.656 -1.993 -0.002 1.00 0.28 H new ATOM 0 HG21 VAL A 57 -14.373 -0.478 2.636 1.00 0.27 H new ATOM 0 HG22 VAL A 57 -13.097 -0.462 1.396 1.00 0.27 H new ATOM 0 HG23 VAL A 57 -13.761 1.071 2.009 1.00 0.27 H new ATOM 866 N THR A 58 -12.246 0.804 -1.393 1.00 0.26 N ATOM 867 CA THR A 58 -11.064 0.279 -2.056 1.00 0.30 C ATOM 868 C THR A 58 -10.028 -0.184 -1.041 1.00 0.32 C ATOM 869 O THR A 58 -9.545 0.601 -0.228 1.00 0.36 O ATOM 870 CB THR A 58 -10.442 1.336 -2.987 1.00 0.40 C ATOM 871 OG1 THR A 58 -11.483 1.994 -3.726 1.00 0.41 O ATOM 872 CG2 THR A 58 -9.464 0.688 -3.960 1.00 0.52 C ATOM 0 H THR A 58 -12.166 1.772 -1.082 1.00 0.26 H new ATOM 0 HA THR A 58 -11.376 -0.578 -2.653 1.00 0.30 H new ATOM 0 HB THR A 58 -9.901 2.061 -2.379 1.00 0.40 H new ATOM 0 HG1 THR A 58 -11.088 2.668 -4.318 1.00 0.41 H new ATOM 0 HG21 THR A 58 -9.036 1.452 -4.609 1.00 0.52 H new ATOM 0 HG22 THR A 58 -8.667 0.198 -3.402 1.00 0.52 H new ATOM 0 HG23 THR A 58 -9.989 -0.050 -4.566 1.00 0.52 H new ATOM 880 N GLU A 59 -9.722 -1.470 -1.079 1.00 0.35 N ATOM 881 CA GLU A 59 -8.747 -2.064 -0.172 1.00 0.42 C ATOM 882 C GLU A 59 -7.327 -1.661 -0.610 1.00 0.53 C ATOM 883 O GLU A 59 -6.734 -2.311 -1.475 1.00 0.75 O ATOM 884 CB GLU A 59 -8.901 -3.598 -0.201 1.00 0.44 C ATOM 885 CG GLU A 59 -8.137 -4.383 0.856 1.00 0.78 C ATOM 886 CD GLU A 59 -6.997 -5.172 0.247 1.00 1.79 C ATOM 887 OE1 GLU A 59 -7.272 -6.129 -0.510 1.00 2.34 O ATOM 888 OE2 GLU A 59 -5.821 -4.836 0.502 1.00 2.56 O ATOM 0 H GLU A 59 -10.138 -2.131 -1.735 1.00 0.35 H new ATOM 0 HA GLU A 59 -8.916 -1.706 0.844 1.00 0.42 H new ATOM 0 HB2 GLU A 59 -9.960 -3.835 -0.101 1.00 0.44 H new ATOM 0 HB3 GLU A 59 -8.586 -3.953 -1.182 1.00 0.44 H new ATOM 0 HG2 GLU A 59 -7.745 -3.697 1.607 1.00 0.78 H new ATOM 0 HG3 GLU A 59 -8.818 -5.063 1.369 1.00 0.78 H new ATOM 895 N GLY A 60 -6.836 -0.528 -0.110 1.00 0.79 N ATOM 896 CA GLY A 60 -5.505 -0.078 -0.460 1.00 0.91 C ATOM 897 C GLY A 60 -4.744 0.401 0.750 1.00 1.48 C ATOM 898 O GLY A 60 -5.277 1.144 1.572 1.00 2.32 O ATOM 0 H GLY A 60 -7.340 0.084 0.532 1.00 0.79 H new ATOM 0 HA2 GLY A 60 -4.958 -0.893 -0.935 1.00 0.91 H new ATOM 0 HA3 GLY A 60 -5.573 0.728 -1.190 1.00 0.91 H new ATOM 902 N SER A 61 -3.538 -0.111 0.923 1.00 1.79 N ATOM 903 CA SER A 61 -2.694 0.276 2.040 1.00 2.75 C ATOM 904 C SER A 61 -1.225 0.202 1.641 1.00 2.84 C ATOM 905 O SER A 61 -0.341 0.164 2.491 1.00 3.18 O ATOM 906 CB SER A 61 -2.962 -0.631 3.246 1.00 3.69 C ATOM 907 OG SER A 61 -4.325 -0.572 3.631 1.00 4.41 O ATOM 0 H SER A 61 -3.119 -0.801 0.299 1.00 1.79 H new ATOM 0 HA SER A 61 -2.930 1.304 2.316 1.00 2.75 H new ATOM 0 HB2 SER A 61 -2.694 -1.658 3.000 1.00 3.69 H new ATOM 0 HB3 SER A 61 -2.331 -0.328 4.081 1.00 3.69 H new ATOM 0 HG SER A 61 -4.473 -1.160 4.401 1.00 4.41 H new ATOM 913 N GLY A 62 -0.970 0.235 0.336 1.00 3.15 N ATOM 914 CA GLY A 62 0.391 0.137 -0.143 1.00 3.63 C ATOM 915 C GLY A 62 0.672 1.062 -1.310 1.00 4.11 C ATOM 916 O GLY A 62 0.513 0.675 -2.468 1.00 4.49 O ATOM 0 H GLY A 62 -1.679 0.327 -0.392 1.00 3.15 H new ATOM 0 HA2 GLY A 62 1.076 0.370 0.672 1.00 3.63 H new ATOM 0 HA3 GLY A 62 0.592 -0.891 -0.444 1.00 3.63 H new ATOM 920 N GLY A 63 1.027 2.312 -1.009 1.00 4.57 N ATOM 921 CA GLY A 63 1.405 3.240 -2.060 1.00 5.36 C ATOM 922 C GLY A 63 2.669 2.775 -2.754 1.00 5.56 C ATOM 923 O GLY A 63 2.887 3.039 -3.936 1.00 6.24 O ATOM 0 H GLY A 63 1.059 2.694 -0.064 1.00 4.57 H new ATOM 0 HA2 GLY A 63 0.596 3.325 -2.785 1.00 5.36 H new ATOM 0 HA3 GLY A 63 1.560 4.233 -1.637 1.00 5.36 H new ATOM 927 N ALA A 64 3.489 2.069 -1.993 1.00 5.28 N ATOM 928 CA ALA A 64 4.717 1.473 -2.489 1.00 5.82 C ATOM 929 C ALA A 64 5.055 0.276 -1.618 1.00 6.16 C ATOM 930 O ALA A 64 4.883 0.335 -0.400 1.00 6.23 O ATOM 931 CB ALA A 64 5.853 2.485 -2.472 1.00 6.29 C ATOM 0 H ALA A 64 3.318 1.892 -1.003 1.00 5.28 H new ATOM 0 HA ALA A 64 4.579 1.153 -3.522 1.00 5.82 H new ATOM 0 HB1 ALA A 64 6.763 2.017 -2.848 1.00 6.29 H new ATOM 0 HB2 ALA A 64 5.594 3.334 -3.105 1.00 6.29 H new ATOM 0 HB3 ALA A 64 6.017 2.830 -1.451 1.00 6.29 H new ATOM 937 N GLY A 65 5.464 -0.823 -2.233 1.00 6.75 N ATOM 938 CA GLY A 65 5.775 -2.004 -1.460 1.00 7.43 C ATOM 939 C GLY A 65 6.369 -3.117 -2.295 1.00 8.04 C ATOM 940 O GLY A 65 5.655 -3.806 -3.023 1.00 8.41 O ATOM 0 H GLY A 65 5.585 -0.917 -3.241 1.00 6.75 H new ATOM 0 HA2 GLY A 65 6.475 -1.739 -0.667 1.00 7.43 H new ATOM 0 HA3 GLY A 65 4.867 -2.365 -0.977 1.00 7.43 H new ATOM 944 N GLY A 66 7.675 -3.290 -2.195 1.00 8.36 N ATOM 945 CA GLY A 66 8.335 -4.362 -2.906 1.00 9.12 C ATOM 946 C GLY A 66 8.582 -5.543 -1.994 1.00 9.70 C ATOM 947 O GLY A 66 8.421 -6.695 -2.399 1.00 10.44 O ATOM 0 H GLY A 66 8.293 -2.705 -1.632 1.00 8.36 H new ATOM 0 HA2 GLY A 66 7.723 -4.673 -3.753 1.00 9.12 H new ATOM 0 HA3 GLY A 66 9.282 -4.006 -3.311 1.00 9.12 H new ATOM 951 N GLN A 67 8.945 -5.232 -0.745 1.00 9.54 N ATOM 952 CA GLN A 67 9.206 -6.235 0.290 1.00 10.26 C ATOM 953 C GLN A 67 10.402 -7.113 -0.093 1.00 10.54 C ATOM 954 O GLN A 67 10.639 -8.163 0.502 1.00 10.70 O ATOM 955 CB GLN A 67 7.950 -7.091 0.523 1.00 10.71 C ATOM 956 CG GLN A 67 7.934 -7.815 1.860 1.00 11.09 C ATOM 957 CD GLN A 67 6.642 -8.577 2.094 1.00 11.64 C ATOM 958 OE1 GLN A 67 5.584 -8.199 1.597 1.00 11.68 O ATOM 959 NE2 GLN A 67 6.720 -9.649 2.861 1.00 12.25 N ATOM 0 H GLN A 67 9.066 -4.272 -0.423 1.00 9.54 H new ATOM 0 HA GLN A 67 9.454 -5.722 1.219 1.00 10.26 H new ATOM 0 HB2 GLN A 67 7.070 -6.452 0.457 1.00 10.71 H new ATOM 0 HB3 GLN A 67 7.870 -7.826 -0.278 1.00 10.71 H new ATOM 0 HG2 GLN A 67 8.774 -8.508 1.904 1.00 11.09 H new ATOM 0 HG3 GLN A 67 8.076 -7.092 2.663 1.00 11.09 H new ATOM 0 HE21 GLN A 67 7.618 -9.930 3.255 1.00 12.25 H new ATOM 0 HE22 GLN A 67 5.882 -10.196 3.060 1.00 12.25 H new ATOM 968 N GLY A 68 11.198 -6.637 -1.042 1.00 10.79 N ATOM 969 CA GLY A 68 12.348 -7.395 -1.489 1.00 11.26 C ATOM 970 C GLY A 68 13.454 -6.523 -2.047 1.00 11.69 C ATOM 971 O GLY A 68 13.569 -6.348 -3.261 1.00 11.72 O ATOM 0 H GLY A 68 11.067 -5.740 -1.509 1.00 10.79 H new ATOM 0 HA2 GLY A 68 12.739 -7.977 -0.654 1.00 11.26 H new ATOM 0 HA3 GLY A 68 12.033 -8.105 -2.253 1.00 11.26 H new ATOM 975 N MET A 69 14.270 -5.982 -1.160 1.00 12.22 N ATOM 976 CA MET A 69 15.413 -5.169 -1.564 1.00 12.82 C ATOM 977 C MET A 69 16.558 -5.383 -0.583 1.00 13.10 C ATOM 978 O MET A 69 16.872 -4.509 0.222 1.00 13.24 O ATOM 979 CB MET A 69 15.047 -3.678 -1.647 1.00 13.26 C ATOM 980 CG MET A 69 16.166 -2.812 -2.213 1.00 13.52 C ATOM 981 SD MET A 69 15.712 -1.071 -2.326 1.00 14.03 S ATOM 982 CE MET A 69 17.221 -0.363 -2.986 1.00 14.29 C ATOM 0 H MET A 69 14.165 -6.089 -0.151 1.00 12.22 H new ATOM 0 HA MET A 69 15.723 -5.482 -2.561 1.00 12.82 H new ATOM 0 HB2 MET A 69 14.159 -3.563 -2.268 1.00 13.26 H new ATOM 0 HB3 MET A 69 14.788 -3.319 -0.651 1.00 13.26 H new ATOM 0 HG2 MET A 69 17.050 -2.912 -1.584 1.00 13.52 H new ATOM 0 HG3 MET A 69 16.436 -3.177 -3.204 1.00 13.52 H new ATOM 0 HE1 MET A 69 17.094 0.712 -3.111 1.00 14.29 H new ATOM 0 HE2 MET A 69 18.044 -0.553 -2.297 1.00 14.29 H new ATOM 0 HE3 MET A 69 17.444 -0.817 -3.952 1.00 14.29 H new ATOM 992 N ILE A 70 17.123 -6.586 -0.638 1.00 13.36 N ATOM 993 CA ILE A 70 18.214 -7.015 0.256 1.00 13.79 C ATOM 994 C ILE A 70 18.286 -8.547 0.246 1.00 14.28 C ATOM 995 O ILE A 70 19.060 -9.158 0.979 1.00 14.51 O ATOM 996 CB ILE A 70 18.043 -6.505 1.742 1.00 13.60 C ATOM 997 CG1 ILE A 70 19.401 -6.507 2.464 1.00 13.34 C ATOM 998 CG2 ILE A 70 17.047 -7.382 2.525 1.00 14.13 C ATOM 999 CD1 ILE A 70 19.367 -5.868 3.839 1.00 13.69 C ATOM 0 H ILE A 70 16.840 -7.302 -1.307 1.00 13.36 H new ATOM 0 HA ILE A 70 19.136 -6.572 -0.121 1.00 13.79 H new ATOM 0 HB ILE A 70 17.651 -5.489 1.700 1.00 13.60 H new ATOM 0 HG12 ILE A 70 19.748 -7.536 2.561 1.00 13.34 H new ATOM 0 HG13 ILE A 70 20.130 -5.981 1.848 1.00 13.34 H new ATOM 0 HG21 ILE A 70 16.952 -7.004 3.543 1.00 14.13 H new ATOM 0 HG22 ILE A 70 16.074 -7.353 2.035 1.00 14.13 H new ATOM 0 HG23 ILE A 70 17.410 -8.410 2.551 1.00 14.13 H new ATOM 0 HD11 ILE A 70 20.361 -5.908 4.284 1.00 13.69 H new ATOM 0 HD12 ILE A 70 19.051 -4.829 3.749 1.00 13.69 H new ATOM 0 HD13 ILE A 70 18.664 -6.407 4.474 1.00 13.69 H new ATOM 1011 N GLN A 71 17.528 -9.149 -0.666 1.00 14.61 N ATOM 1012 CA GLN A 71 17.464 -10.602 -0.795 1.00 15.25 C ATOM 1013 C GLN A 71 18.293 -11.011 -2.011 1.00 16.12 C ATOM 1014 O GLN A 71 18.176 -12.116 -2.543 1.00 16.80 O ATOM 1015 CB GLN A 71 15.999 -11.043 -0.945 1.00 15.18 C ATOM 1016 CG GLN A 71 15.784 -12.545 -0.850 1.00 15.42 C ATOM 1017 CD GLN A 71 14.329 -12.938 -1.007 1.00 15.46 C ATOM 1018 OE1 GLN A 71 13.432 -12.060 -0.590 1.00 15.61 O flip ATOM 1019 NE2 GLN A 71 14.014 -14.023 -1.501 1.00 15.48 N flip ATOM 0 H GLN A 71 16.943 -8.646 -1.334 1.00 14.61 H new ATOM 0 HA GLN A 71 17.868 -11.088 0.093 1.00 15.25 H new ATOM 0 HB2 GLN A 71 15.404 -10.553 -0.174 1.00 15.18 H new ATOM 0 HB3 GLN A 71 15.624 -10.694 -1.907 1.00 15.18 H new ATOM 0 HG2 GLN A 71 16.375 -13.042 -1.619 1.00 15.42 H new ATOM 0 HG3 GLN A 71 16.150 -12.900 0.113 1.00 15.42 H new ATOM 0 HE21 GLN A 71 14.738 -14.672 -1.810 1.00 15.48 H new ATOM 0 HE22 GLN A 71 13.030 -14.272 -1.601 1.00 15.48 H new ATOM 1028 N GLU A 72 19.203 -10.118 -2.374 1.00 16.21 N ATOM 1029 CA GLU A 72 20.027 -10.288 -3.561 1.00 17.08 C ATOM 1030 C GLU A 72 21.281 -11.080 -3.197 1.00 17.64 C ATOM 1031 O GLU A 72 21.665 -11.127 -2.026 1.00 17.36 O ATOM 1032 CB GLU A 72 20.428 -8.919 -4.155 1.00 17.12 C ATOM 1033 CG GLU A 72 19.384 -7.803 -4.029 1.00 16.82 C ATOM 1034 CD GLU A 72 17.953 -8.244 -4.300 1.00 16.87 C ATOM 1035 OE1 GLU A 72 17.122 -8.172 -3.359 1.00 16.46 O ATOM 1036 OE2 GLU A 72 17.653 -8.648 -5.444 1.00 17.42 O ATOM 0 H GLU A 72 19.390 -9.259 -1.856 1.00 16.21 H new ATOM 0 HA GLU A 72 19.451 -10.830 -4.311 1.00 17.08 H new ATOM 0 HB2 GLU A 72 21.346 -8.588 -3.669 1.00 17.12 H new ATOM 0 HB3 GLU A 72 20.659 -9.057 -5.211 1.00 17.12 H new ATOM 0 HG2 GLU A 72 19.438 -7.384 -3.024 1.00 16.82 H new ATOM 0 HG3 GLU A 72 19.641 -7.002 -4.722 1.00 16.82 H new ATOM 1043 N PRO A 73 21.929 -11.729 -4.177 1.00 18.53 N ATOM 1044 CA PRO A 73 23.146 -12.501 -3.936 1.00 19.22 C ATOM 1045 C PRO A 73 24.359 -11.584 -3.800 1.00 19.49 C ATOM 1046 O PRO A 73 24.429 -10.525 -4.435 1.00 19.26 O ATOM 1047 CB PRO A 73 23.244 -13.365 -5.197 1.00 20.10 C ATOM 1048 CG PRO A 73 22.726 -12.458 -6.245 1.00 20.05 C ATOM 1049 CD PRO A 73 21.556 -11.746 -5.607 1.00 19.04 C ATOM 0 HA PRO A 73 23.120 -13.081 -3.013 1.00 19.22 H new ATOM 0 HB2 PRO A 73 24.269 -13.675 -5.398 1.00 20.10 H new ATOM 0 HB3 PRO A 73 22.647 -14.273 -5.114 1.00 20.10 H new ATOM 0 HG2 PRO A 73 23.490 -11.750 -6.567 1.00 20.05 H new ATOM 0 HG3 PRO A 73 22.414 -13.014 -7.129 1.00 20.05 H new ATOM 0 HD2 PRO A 73 21.429 -10.739 -6.005 1.00 19.04 H new ATOM 0 HD3 PRO A 73 20.618 -12.276 -5.775 1.00 19.04 H new ATOM 1057 N ALA A 74 25.328 -12.023 -3.025 1.00 20.11 N ATOM 1058 CA ALA A 74 26.512 -11.226 -2.736 1.00 20.56 C ATOM 1059 C ALA A 74 27.616 -12.105 -2.178 1.00 20.94 C ATOM 1060 O ALA A 74 27.553 -13.331 -2.284 1.00 20.85 O ATOM 1061 CB ALA A 74 26.168 -10.112 -1.753 1.00 20.34 C ATOM 0 H ALA A 74 25.322 -12.939 -2.576 1.00 20.11 H new ATOM 0 HA ALA A 74 26.866 -10.775 -3.663 1.00 20.56 H new ATOM 0 HB1 ALA A 74 27.061 -9.523 -1.544 1.00 20.34 H new ATOM 0 HB2 ALA A 74 25.402 -9.469 -2.186 1.00 20.34 H new ATOM 0 HB3 ALA A 74 25.795 -10.547 -0.826 1.00 20.34 H new ATOM 1067 N LEU A 75 28.650 -11.474 -1.647 1.00 21.47 N ATOM 1068 CA LEU A 75 29.766 -12.197 -1.036 1.00 21.98 C ATOM 1069 C LEU A 75 29.268 -13.017 0.159 1.00 22.04 C ATOM 1070 O LEU A 75 28.540 -12.485 1.000 1.00 21.90 O ATOM 1071 CB LEU A 75 30.876 -11.234 -0.575 1.00 22.62 C ATOM 1072 CG LEU A 75 31.658 -10.511 -1.681 1.00 22.85 C ATOM 1073 CD1 LEU A 75 32.164 -11.500 -2.722 1.00 22.94 C ATOM 1074 CD2 LEU A 75 30.810 -9.422 -2.324 1.00 22.46 C ATOM 0 H LEU A 75 28.745 -10.459 -1.624 1.00 21.47 H new ATOM 0 HA LEU A 75 30.184 -12.863 -1.790 1.00 21.98 H new ATOM 0 HB2 LEU A 75 30.427 -10.481 0.073 1.00 22.62 H new ATOM 0 HB3 LEU A 75 31.585 -11.796 0.033 1.00 22.62 H new ATOM 0 HG LEU A 75 32.525 -10.032 -1.225 1.00 22.85 H new ATOM 0 HD11 LEU A 75 32.715 -10.964 -3.495 1.00 22.94 H new ATOM 0 HD12 LEU A 75 32.822 -12.226 -2.245 1.00 22.94 H new ATOM 0 HD13 LEU A 75 31.318 -12.019 -3.173 1.00 22.94 H new ATOM 0 HD21 LEU A 75 31.387 -8.925 -3.104 1.00 22.46 H new ATOM 0 HD22 LEU A 75 29.916 -9.867 -2.761 1.00 22.46 H new ATOM 0 HD23 LEU A 75 30.519 -8.693 -1.568 1.00 22.46 H new ATOM 1086 N PRO A 76 29.618 -14.322 0.245 1.00 22.33 N ATOM 1087 CA PRO A 76 29.183 -15.184 1.358 1.00 22.55 C ATOM 1088 C PRO A 76 29.694 -14.680 2.703 1.00 23.16 C ATOM 1089 O PRO A 76 30.741 -14.031 2.764 1.00 23.54 O ATOM 1090 CB PRO A 76 29.835 -16.549 1.039 1.00 22.90 C ATOM 1091 CG PRO A 76 30.097 -16.505 -0.424 1.00 22.69 C ATOM 1092 CD PRO A 76 30.470 -15.063 -0.705 1.00 22.58 C ATOM 0 HA PRO A 76 28.097 -15.218 1.440 1.00 22.55 H new ATOM 0 HB2 PRO A 76 30.757 -16.690 1.603 1.00 22.90 H new ATOM 0 HB3 PRO A 76 29.173 -17.375 1.299 1.00 22.90 H new ATOM 0 HG2 PRO A 76 30.903 -17.184 -0.703 1.00 22.69 H new ATOM 0 HG3 PRO A 76 29.217 -16.804 -0.993 1.00 22.69 H new ATOM 0 HD2 PRO A 76 31.530 -14.877 -0.530 1.00 22.58 H new ATOM 0 HD3 PRO A 76 30.263 -14.784 -1.738 1.00 22.58 H new ATOM 1100 N PRO A 77 28.950 -14.943 3.794 1.00 23.33 N ATOM 1101 CA PRO A 77 29.366 -14.561 5.149 1.00 24.01 C ATOM 1102 C PRO A 77 30.797 -14.991 5.448 1.00 24.77 C ATOM 1103 O PRO A 77 31.122 -16.180 5.426 1.00 25.03 O ATOM 1104 CB PRO A 77 28.369 -15.319 6.029 1.00 24.14 C ATOM 1105 CG PRO A 77 27.138 -15.312 5.208 1.00 23.57 C ATOM 1106 CD PRO A 77 27.615 -15.572 3.798 1.00 23.01 C ATOM 0 HA PRO A 77 29.361 -13.483 5.307 1.00 24.01 H new ATOM 0 HB2 PRO A 77 28.707 -16.333 6.243 1.00 24.14 H new ATOM 0 HB3 PRO A 77 28.218 -14.824 6.989 1.00 24.14 H new ATOM 0 HG2 PRO A 77 26.438 -16.080 5.537 1.00 23.57 H new ATOM 0 HG3 PRO A 77 26.619 -14.356 5.280 1.00 23.57 H new ATOM 0 HD2 PRO A 77 27.668 -16.638 3.577 1.00 23.01 H new ATOM 0 HD3 PRO A 77 26.953 -15.125 3.056 1.00 23.01 H new ATOM 1114 N GLY A 78 31.639 -14.023 5.754 1.00 25.21 N ATOM 1115 CA GLY A 78 33.041 -14.318 5.985 1.00 26.01 C ATOM 1116 C GLY A 78 33.936 -13.916 4.822 1.00 25.92 C ATOM 1117 O GLY A 78 35.108 -13.597 5.026 1.00 26.59 O ATOM 0 H GLY A 78 31.383 -13.040 5.848 1.00 25.21 H new ATOM 0 HA2 GLY A 78 33.371 -13.800 6.885 1.00 26.01 H new ATOM 0 HA3 GLY A 78 33.155 -15.386 6.171 1.00 26.01 H new ATOM 1121 N TRP A 79 33.405 -13.937 3.602 1.00 25.19 N ATOM 1122 CA TRP A 79 34.196 -13.529 2.435 1.00 25.16 C ATOM 1123 C TRP A 79 34.035 -12.028 2.182 1.00 24.97 C ATOM 1124 O TRP A 79 32.907 -11.529 2.089 1.00 24.43 O ATOM 1125 CB TRP A 79 33.781 -14.291 1.163 1.00 24.58 C ATOM 1126 CG TRP A 79 34.216 -15.728 1.135 1.00 24.92 C ATOM 1127 CD1 TRP A 79 33.567 -16.799 1.680 1.00 24.92 C ATOM 1128 CD2 TRP A 79 35.401 -16.250 0.509 1.00 25.44 C ATOM 1129 NE1 TRP A 79 34.277 -17.952 1.444 1.00 25.41 N ATOM 1130 CE2 TRP A 79 35.413 -17.639 0.728 1.00 25.73 C ATOM 1131 CE3 TRP A 79 36.453 -15.672 -0.214 1.00 25.76 C ATOM 1132 CZ2 TRP A 79 36.440 -18.460 0.248 1.00 26.32 C ATOM 1133 CZ3 TRP A 79 37.469 -16.482 -0.681 1.00 26.34 C ATOM 1134 CH2 TRP A 79 37.458 -17.860 -0.450 1.00 26.61 C ATOM 0 H TRP A 79 32.449 -14.226 3.393 1.00 25.19 H new ATOM 0 HA TRP A 79 35.236 -13.766 2.658 1.00 25.16 H new ATOM 0 HB2 TRP A 79 32.696 -14.250 1.066 1.00 24.58 H new ATOM 0 HB3 TRP A 79 34.198 -13.780 0.295 1.00 24.58 H new ATOM 0 HD1 TRP A 79 32.632 -16.747 2.218 1.00 24.92 H new ATOM 0 HE1 TRP A 79 34.007 -18.887 1.749 1.00 25.41 H new ATOM 0 HE3 TRP A 79 36.469 -14.609 -0.403 1.00 25.76 H new ATOM 0 HZ2 TRP A 79 36.432 -19.526 0.421 1.00 26.32 H new ATOM 0 HZ3 TRP A 79 38.286 -16.043 -1.234 1.00 26.34 H new ATOM 0 HH2 TRP A 79 38.268 -18.466 -0.829 1.00 26.61 H new ATOM 1145 N GLU A 80 35.143 -11.293 2.102 1.00 25.51 N ATOM 1146 CA GLU A 80 35.085 -9.871 1.794 1.00 25.50 C ATOM 1147 C GLU A 80 35.947 -9.565 0.579 1.00 25.52 C ATOM 1148 O GLU A 80 36.947 -10.238 0.333 1.00 25.91 O ATOM 1149 CB GLU A 80 35.531 -9.029 2.987 1.00 26.28 C ATOM 1150 CG GLU A 80 34.528 -9.023 4.125 1.00 26.33 C ATOM 1151 CD GLU A 80 34.934 -8.094 5.246 1.00 26.69 C ATOM 1152 OE1 GLU A 80 35.330 -8.591 6.318 1.00 26.95 O ATOM 1153 OE2 GLU A 80 34.867 -6.860 5.057 1.00 26.80 O ATOM 0 H GLU A 80 36.084 -11.658 2.246 1.00 25.51 H new ATOM 0 HA GLU A 80 34.050 -9.613 1.571 1.00 25.50 H new ATOM 0 HB2 GLU A 80 36.485 -9.408 3.354 1.00 26.28 H new ATOM 0 HB3 GLU A 80 35.701 -8.004 2.656 1.00 26.28 H new ATOM 0 HG2 GLU A 80 33.552 -8.723 3.744 1.00 26.33 H new ATOM 0 HG3 GLU A 80 34.420 -10.035 4.516 1.00 26.33 H new ATOM 1160 N MET A 81 35.558 -8.549 -0.172 1.00 25.18 N ATOM 1161 CA MET A 81 36.275 -8.182 -1.379 1.00 25.27 C ATOM 1162 C MET A 81 36.606 -6.697 -1.336 1.00 25.77 C ATOM 1163 O MET A 81 35.724 -5.875 -1.078 1.00 25.60 O ATOM 1164 CB MET A 81 35.435 -8.535 -2.614 1.00 24.50 C ATOM 1165 CG MET A 81 36.110 -8.229 -3.949 1.00 24.68 C ATOM 1166 SD MET A 81 36.020 -6.495 -4.436 1.00 24.52 S ATOM 1167 CE MET A 81 34.248 -6.270 -4.562 1.00 24.27 C ATOM 0 H MET A 81 34.749 -7.964 0.034 1.00 25.18 H new ATOM 0 HA MET A 81 37.209 -8.740 -1.442 1.00 25.27 H new ATOM 0 HB2 MET A 81 35.191 -9.597 -2.580 1.00 24.50 H new ATOM 0 HB3 MET A 81 34.493 -7.989 -2.565 1.00 24.50 H new ATOM 0 HG2 MET A 81 37.157 -8.526 -3.891 1.00 24.68 H new ATOM 0 HG3 MET A 81 35.648 -8.838 -4.726 1.00 24.68 H new ATOM 0 HE1 MET A 81 34.034 -5.440 -5.235 1.00 24.27 H new ATOM 0 HE2 MET A 81 33.792 -7.180 -4.951 1.00 24.27 H new ATOM 0 HE3 MET A 81 33.838 -6.052 -3.576 1.00 24.27 H new ATOM 1177 N LYS A 82 37.877 -6.357 -1.534 1.00 26.46 N ATOM 1178 CA LYS A 82 38.317 -4.969 -1.445 1.00 27.08 C ATOM 1179 C LYS A 82 39.357 -4.692 -2.538 1.00 27.55 C ATOM 1180 O LYS A 82 39.954 -5.624 -3.082 1.00 27.58 O ATOM 1181 CB LYS A 82 38.891 -4.678 -0.038 1.00 27.79 C ATOM 1182 CG LYS A 82 38.098 -5.325 1.093 1.00 27.45 C ATOM 1183 CD LYS A 82 38.657 -4.962 2.460 1.00 28.23 C ATOM 1184 CE LYS A 82 37.927 -5.700 3.574 1.00 28.14 C ATOM 1185 NZ LYS A 82 36.486 -5.338 3.633 1.00 28.22 N ATOM 0 H LYS A 82 38.618 -7.022 -1.756 1.00 26.46 H new ATOM 0 HA LYS A 82 37.466 -4.305 -1.600 1.00 27.08 H new ATOM 0 HB2 LYS A 82 39.921 -5.031 0.004 1.00 27.79 H new ATOM 0 HB3 LYS A 82 38.917 -3.600 0.119 1.00 27.79 H new ATOM 0 HG2 LYS A 82 37.056 -5.010 1.032 1.00 27.45 H new ATOM 0 HG3 LYS A 82 38.111 -6.408 0.972 1.00 27.45 H new ATOM 0 HD2 LYS A 82 39.719 -5.205 2.496 1.00 28.23 H new ATOM 0 HD3 LYS A 82 38.570 -3.887 2.616 1.00 28.23 H new ATOM 0 HE2 LYS A 82 38.025 -6.775 3.421 1.00 28.14 H new ATOM 0 HE3 LYS A 82 38.398 -5.470 4.530 1.00 28.14 H new ATOM 0 HZ1 LYS A 82 36.039 -5.824 4.436 1.00 28.22 H new ATOM 0 HZ2 LYS A 82 36.391 -4.309 3.754 1.00 28.22 H new ATOM 0 HZ3 LYS A 82 36.019 -5.627 2.750 1.00 28.22 H new ATOM 1199 N TYR A 83 39.566 -3.419 -2.868 1.00 27.96 N ATOM 1200 CA TYR A 83 40.489 -3.049 -3.945 1.00 28.50 C ATOM 1201 C TYR A 83 41.712 -2.327 -3.389 1.00 29.50 C ATOM 1202 O TYR A 83 41.626 -1.641 -2.368 1.00 29.77 O ATOM 1203 CB TYR A 83 39.793 -2.118 -4.959 1.00 28.32 C ATOM 1204 CG TYR A 83 38.627 -2.740 -5.702 1.00 27.47 C ATOM 1205 CD1 TYR A 83 38.785 -3.238 -6.990 1.00 27.19 C ATOM 1206 CD2 TYR A 83 37.367 -2.820 -5.118 1.00 27.03 C ATOM 1207 CE1 TYR A 83 37.716 -3.793 -7.677 1.00 26.48 C ATOM 1208 CE2 TYR A 83 36.301 -3.373 -5.795 1.00 26.32 C ATOM 1209 CZ TYR A 83 36.480 -3.861 -7.071 1.00 26.04 C ATOM 1210 OH TYR A 83 35.417 -4.417 -7.743 1.00 25.39 O ATOM 0 H TYR A 83 39.113 -2.629 -2.409 1.00 27.96 H new ATOM 0 HA TYR A 83 40.801 -3.970 -4.438 1.00 28.50 H new ATOM 0 HB2 TYR A 83 39.438 -1.232 -4.432 1.00 28.32 H new ATOM 0 HB3 TYR A 83 40.531 -1.782 -5.687 1.00 28.32 H new ATOM 0 HD1 TYR A 83 39.755 -3.192 -7.463 1.00 27.19 H new ATOM 0 HD2 TYR A 83 37.221 -2.442 -4.117 1.00 27.03 H new ATOM 0 HE1 TYR A 83 37.851 -4.169 -8.680 1.00 26.48 H new ATOM 0 HE2 TYR A 83 35.329 -3.424 -5.327 1.00 26.32 H new ATOM 0 HH TYR A 83 34.619 -4.388 -7.174 1.00 25.39 H new ATOM 1220 N THR A 84 42.848 -2.493 -4.060 1.00 30.09 N ATOM 1221 CA THR A 84 44.064 -1.784 -3.695 1.00 31.09 C ATOM 1222 C THR A 84 44.029 -0.388 -4.333 1.00 31.47 C ATOM 1223 O THR A 84 43.116 -0.078 -5.103 1.00 30.98 O ATOM 1224 CB THR A 84 45.340 -2.542 -4.151 1.00 31.69 C ATOM 1225 OG1 THR A 84 45.458 -2.489 -5.580 1.00 31.75 O ATOM 1226 CG2 THR A 84 45.315 -4.001 -3.706 1.00 31.35 C ATOM 0 H THR A 84 42.949 -3.115 -4.862 1.00 30.09 H new ATOM 0 HA THR A 84 44.106 -1.709 -2.608 1.00 31.09 H new ATOM 0 HB THR A 84 46.196 -2.054 -3.686 1.00 31.69 H new ATOM 0 HG1 THR A 84 44.681 -2.925 -5.989 1.00 31.75 H new ATOM 0 HG21 THR A 84 46.224 -4.500 -4.043 1.00 31.35 H new ATOM 0 HG22 THR A 84 45.257 -4.049 -2.619 1.00 31.35 H new ATOM 0 HG23 THR A 84 44.447 -4.498 -4.138 1.00 31.35 H new ATOM 1234 N SER A 85 45.054 0.414 -4.087 1.00 32.40 N ATOM 1235 CA SER A 85 45.092 1.798 -4.564 1.00 32.91 C ATOM 1236 C SER A 85 45.225 1.921 -6.091 1.00 33.07 C ATOM 1237 O SER A 85 45.021 3.003 -6.644 1.00 33.44 O ATOM 1238 CB SER A 85 46.238 2.528 -3.890 1.00 33.91 C ATOM 1239 OG SER A 85 46.274 2.251 -2.499 1.00 34.32 O ATOM 0 H SER A 85 45.878 0.132 -3.556 1.00 32.40 H new ATOM 0 HA SER A 85 44.134 2.248 -4.302 1.00 32.91 H new ATOM 0 HB2 SER A 85 47.182 2.231 -4.347 1.00 33.91 H new ATOM 0 HB3 SER A 85 46.132 3.601 -4.047 1.00 33.91 H new ATOM 0 HG SER A 85 47.023 2.732 -2.089 1.00 34.32 H new ATOM 1245 N GLU A 86 45.523 0.824 -6.775 1.00 32.82 N ATOM 1246 CA GLU A 86 45.741 0.869 -8.227 1.00 33.03 C ATOM 1247 C GLU A 86 44.680 0.064 -8.969 1.00 32.13 C ATOM 1248 O GLU A 86 44.769 -0.133 -10.180 1.00 32.23 O ATOM 1249 CB GLU A 86 47.138 0.332 -8.549 1.00 33.61 C ATOM 1250 CG GLU A 86 48.253 1.166 -7.947 1.00 34.45 C ATOM 1251 CD GLU A 86 49.613 0.520 -8.101 1.00 34.93 C ATOM 1252 OE1 GLU A 86 49.991 -0.281 -7.220 1.00 34.87 O ATOM 1253 OE2 GLU A 86 50.317 0.831 -9.085 1.00 35.43 O ATOM 0 H GLU A 86 45.620 -0.102 -6.359 1.00 32.82 H new ATOM 0 HA GLU A 86 45.663 1.904 -8.559 1.00 33.03 H new ATOM 0 HB2 GLU A 86 47.220 -0.691 -8.182 1.00 33.61 H new ATOM 0 HB3 GLU A 86 47.265 0.294 -9.631 1.00 33.61 H new ATOM 0 HG2 GLU A 86 48.265 2.147 -8.423 1.00 34.45 H new ATOM 0 HG3 GLU A 86 48.050 1.327 -6.888 1.00 34.45 H new ATOM 1260 N GLY A 87 43.670 -0.396 -8.248 1.00 31.30 N ATOM 1261 CA GLY A 87 42.606 -1.152 -8.883 1.00 30.42 C ATOM 1262 C GLY A 87 42.778 -2.652 -8.739 1.00 30.02 C ATOM 1263 O GLY A 87 41.856 -3.418 -9.028 1.00 29.44 O ATOM 0 H GLY A 87 43.566 -0.262 -7.242 1.00 31.30 H new ATOM 0 HA2 GLY A 87 41.650 -0.858 -8.449 1.00 30.42 H new ATOM 0 HA3 GLY A 87 42.568 -0.896 -9.942 1.00 30.42 H new ATOM 1267 N VAL A 88 43.964 -3.079 -8.311 1.00 30.40 N ATOM 1268 CA VAL A 88 44.225 -4.501 -8.091 1.00 30.17 C ATOM 1269 C VAL A 88 43.323 -4.992 -6.970 1.00 29.38 C ATOM 1270 O VAL A 88 43.199 -4.327 -5.944 1.00 29.40 O ATOM 1271 CB VAL A 88 45.705 -4.777 -7.734 1.00 31.05 C ATOM 1272 CG1 VAL A 88 45.916 -6.250 -7.408 1.00 30.89 C ATOM 1273 CG2 VAL A 88 46.622 -4.353 -8.874 1.00 31.86 C ATOM 0 H VAL A 88 44.755 -2.467 -8.111 1.00 30.40 H new ATOM 0 HA VAL A 88 44.016 -5.035 -9.018 1.00 30.17 H new ATOM 0 HB VAL A 88 45.954 -4.188 -6.851 1.00 31.05 H new ATOM 0 HG11 VAL A 88 46.963 -6.421 -7.160 1.00 30.89 H new ATOM 0 HG12 VAL A 88 45.292 -6.528 -6.559 1.00 30.89 H new ATOM 0 HG13 VAL A 88 45.644 -6.856 -8.272 1.00 30.89 H new ATOM 0 HG21 VAL A 88 47.658 -4.556 -8.602 1.00 31.86 H new ATOM 0 HG22 VAL A 88 46.367 -4.913 -9.774 1.00 31.86 H new ATOM 0 HG23 VAL A 88 46.498 -3.287 -9.063 1.00 31.86 H new ATOM 1283 N ARG A 89 42.672 -6.118 -7.174 1.00 28.74 N ATOM 1284 CA ARG A 89 41.710 -6.618 -6.200 1.00 27.99 C ATOM 1285 C ARG A 89 42.276 -7.788 -5.403 1.00 28.23 C ATOM 1286 O ARG A 89 43.098 -8.555 -5.906 1.00 28.54 O ATOM 1287 CB ARG A 89 40.419 -7.013 -6.930 1.00 27.21 C ATOM 1288 CG ARG A 89 39.379 -7.693 -6.105 1.00 26.48 C ATOM 1289 CD ARG A 89 38.263 -8.125 -7.020 1.00 25.83 C ATOM 1290 NE ARG A 89 38.493 -7.738 -8.416 1.00 25.29 N ATOM 1291 CZ ARG A 89 37.530 -7.315 -9.235 1.00 24.70 C ATOM 1292 NH1 ARG A 89 36.272 -7.259 -8.816 1.00 24.55 N ATOM 1293 NH2 ARG A 89 37.835 -6.947 -10.471 1.00 24.34 N ATOM 0 H ARG A 89 42.787 -6.706 -8.000 1.00 28.74 H new ATOM 0 HA ARG A 89 41.490 -5.829 -5.481 1.00 27.99 H new ATOM 0 HB2 ARG A 89 39.980 -6.113 -7.361 1.00 27.21 H new ATOM 0 HB3 ARG A 89 40.681 -7.669 -7.760 1.00 27.21 H new ATOM 0 HG2 ARG A 89 39.805 -8.555 -5.591 1.00 26.48 H new ATOM 0 HG3 ARG A 89 39.001 -7.018 -5.337 1.00 26.48 H new ATOM 0 HD2 ARG A 89 38.149 -9.207 -6.961 1.00 25.83 H new ATOM 0 HD3 ARG A 89 37.326 -7.687 -6.676 1.00 25.83 H new ATOM 0 HE ARG A 89 39.444 -7.796 -8.781 1.00 25.29 H new ATOM 0 HH11 ARG A 89 36.039 -7.540 -7.864 1.00 24.55 H new ATOM 0 HH12 ARG A 89 35.539 -6.935 -9.446 1.00 24.55 H new ATOM 0 HH21 ARG A 89 38.803 -6.988 -10.791 1.00 24.34 H new ATOM 0 HH22 ARG A 89 37.102 -6.623 -11.102 1.00 24.34 H new ATOM 1307 N TYR A 90 41.897 -7.859 -4.134 1.00 28.18 N ATOM 1308 CA TYR A 90 42.281 -8.966 -3.277 1.00 28.46 C ATOM 1309 C TYR A 90 41.084 -9.378 -2.419 1.00 27.80 C ATOM 1310 O TYR A 90 40.168 -8.575 -2.210 1.00 27.31 O ATOM 1311 CB TYR A 90 43.481 -8.590 -2.387 1.00 29.43 C ATOM 1312 CG TYR A 90 43.224 -7.498 -1.365 1.00 29.57 C ATOM 1313 CD1 TYR A 90 42.906 -7.807 -0.045 1.00 29.65 C ATOM 1314 CD2 TYR A 90 43.260 -6.160 -1.734 1.00 29.70 C ATOM 1315 CE1 TYR A 90 42.636 -6.809 0.875 1.00 29.86 C ATOM 1316 CE2 TYR A 90 42.996 -5.158 -0.819 1.00 29.91 C ATOM 1317 CZ TYR A 90 42.823 -5.504 0.537 1.00 30.05 C ATOM 1318 OH TYR A 90 42.414 -4.489 1.396 1.00 30.27 O ATOM 0 H TYR A 90 41.319 -7.155 -3.675 1.00 28.18 H new ATOM 0 HA TYR A 90 42.587 -9.806 -3.901 1.00 28.46 H new ATOM 0 HB2 TYR A 90 43.814 -9.484 -1.860 1.00 29.43 H new ATOM 0 HB3 TYR A 90 44.302 -8.275 -3.030 1.00 29.43 H new ATOM 0 HD1 TYR A 90 42.870 -8.841 0.265 1.00 29.65 H new ATOM 0 HD2 TYR A 90 43.499 -5.897 -2.754 1.00 29.70 H new ATOM 0 HE1 TYR A 90 42.277 -7.066 1.861 1.00 29.86 H new ATOM 0 HE2 TYR A 90 42.924 -4.128 -1.137 1.00 29.91 H new ATOM 0 HH TYR A 90 42.625 -3.619 0.998 1.00 30.27 H new ATOM 1328 N PHE A 91 41.048 -10.626 -1.962 1.00 27.84 N ATOM 1329 CA PHE A 91 39.959 -11.065 -1.108 1.00 27.29 C ATOM 1330 C PHE A 91 40.451 -11.240 0.314 1.00 27.91 C ATOM 1331 O PHE A 91 41.645 -11.435 0.553 1.00 28.69 O ATOM 1332 CB PHE A 91 39.332 -12.377 -1.586 1.00 26.81 C ATOM 1333 CG PHE A 91 38.509 -12.276 -2.860 1.00 26.08 C ATOM 1334 CD1 PHE A 91 37.239 -11.699 -2.865 1.00 25.34 C ATOM 1335 CD2 PHE A 91 39.023 -12.737 -4.069 1.00 26.22 C ATOM 1336 CE1 PHE A 91 36.518 -11.584 -4.038 1.00 24.76 C ATOM 1337 CE2 PHE A 91 38.292 -12.625 -5.237 1.00 25.66 C ATOM 1338 CZ PHE A 91 36.955 -12.129 -5.170 1.00 24.89 C ATOM 0 H PHE A 91 41.749 -11.338 -2.166 1.00 27.84 H new ATOM 0 HA PHE A 91 39.192 -10.292 -1.152 1.00 27.29 H new ATOM 0 HB2 PHE A 91 40.128 -13.105 -1.744 1.00 26.81 H new ATOM 0 HB3 PHE A 91 38.696 -12.767 -0.792 1.00 26.81 H new ATOM 0 HD1 PHE A 91 36.814 -11.338 -1.940 1.00 25.34 H new ATOM 0 HD2 PHE A 91 40.004 -13.187 -4.095 1.00 26.22 H new ATOM 0 HE1 PHE A 91 35.584 -11.042 -4.036 1.00 24.76 H new ATOM 0 HE2 PHE A 91 38.725 -12.908 -6.185 1.00 25.66 H new ATOM 0 HZ PHE A 91 36.305 -12.196 -6.030 1.00 24.89 H new ATOM 1348 N VAL A 92 39.537 -11.140 1.256 1.00 27.61 N ATOM 1349 CA VAL A 92 39.871 -11.304 2.657 1.00 28.23 C ATOM 1350 C VAL A 92 39.152 -12.516 3.232 1.00 27.94 C ATOM 1351 O VAL A 92 37.937 -12.477 3.450 1.00 27.26 O ATOM 1352 CB VAL A 92 39.497 -10.055 3.487 1.00 28.37 C ATOM 1353 CG1 VAL A 92 39.930 -10.213 4.937 1.00 29.13 C ATOM 1354 CG2 VAL A 92 40.103 -8.799 2.886 1.00 28.67 C ATOM 0 H VAL A 92 38.552 -10.945 1.077 1.00 27.61 H new ATOM 0 HA VAL A 92 40.950 -11.447 2.716 1.00 28.23 H new ATOM 0 HB VAL A 92 38.412 -9.956 3.463 1.00 28.37 H new ATOM 0 HG11 VAL A 92 39.655 -9.320 5.498 1.00 29.13 H new ATOM 0 HG12 VAL A 92 39.436 -11.082 5.372 1.00 29.13 H new ATOM 0 HG13 VAL A 92 41.010 -10.351 4.981 1.00 29.13 H new ATOM 0 HG21 VAL A 92 39.824 -7.936 3.490 1.00 28.67 H new ATOM 0 HG22 VAL A 92 41.189 -8.892 2.866 1.00 28.67 H new ATOM 0 HG23 VAL A 92 39.732 -8.666 1.870 1.00 28.67 H new ATOM 1364 N ASP A 93 39.881 -13.612 3.397 1.00 28.50 N ATOM 1365 CA ASP A 93 39.329 -14.812 4.024 1.00 28.42 C ATOM 1366 C ASP A 93 39.196 -14.549 5.520 1.00 28.86 C ATOM 1367 O ASP A 93 40.123 -14.814 6.286 1.00 29.70 O ATOM 1368 CB ASP A 93 40.246 -16.024 3.805 1.00 29.01 C ATOM 1369 CG ASP A 93 40.318 -16.477 2.364 1.00 28.68 C ATOM 1370 OD1 ASP A 93 39.574 -17.413 2.001 1.00 28.33 O ATOM 1371 OD2 ASP A 93 41.142 -15.928 1.603 1.00 28.82 O ATOM 0 H ASP A 93 40.855 -13.698 3.107 1.00 28.50 H new ATOM 0 HA ASP A 93 38.360 -15.035 3.577 1.00 28.42 H new ATOM 0 HB2 ASP A 93 41.250 -15.776 4.150 1.00 29.01 H new ATOM 0 HB3 ASP A 93 39.893 -16.852 4.420 1.00 29.01 H new ATOM 1376 N HIS A 94 38.080 -13.961 5.936 1.00 28.36 N ATOM 1377 CA HIS A 94 37.906 -13.570 7.332 1.00 28.81 C ATOM 1378 C HIS A 94 37.734 -14.786 8.240 1.00 29.31 C ATOM 1379 O HIS A 94 37.912 -14.687 9.454 1.00 29.90 O ATOM 1380 CB HIS A 94 36.715 -12.615 7.472 1.00 28.18 C ATOM 1381 CG HIS A 94 36.687 -11.882 8.772 1.00 28.49 C ATOM 1382 ND1 HIS A 94 35.761 -12.132 9.761 1.00 28.32 N ATOM 1383 CD2 HIS A 94 37.481 -10.895 9.242 1.00 29.05 C ATOM 1384 CE1 HIS A 94 35.988 -11.330 10.784 1.00 28.75 C ATOM 1385 NE2 HIS A 94 37.027 -10.573 10.496 1.00 29.20 N ATOM 0 H HIS A 94 37.287 -13.745 5.332 1.00 28.36 H new ATOM 0 HA HIS A 94 38.811 -13.052 7.649 1.00 28.81 H new ATOM 0 HB2 HIS A 94 36.742 -11.892 6.657 1.00 28.18 H new ATOM 0 HB3 HIS A 94 35.790 -13.182 7.364 1.00 28.18 H new ATOM 0 HD2 HIS A 94 38.316 -10.444 8.727 1.00 29.05 H new ATOM 0 HE1 HIS A 94 35.419 -11.299 11.701 1.00 28.75 H new ATOM 0 HE2 HIS A 94 37.429 -9.862 11.107 1.00 29.20 H new ATOM 1394 N ASN A 95 37.461 -15.941 7.653 1.00 29.17 N ATOM 1395 CA ASN A 95 37.282 -17.161 8.429 1.00 29.71 C ATOM 1396 C ASN A 95 38.618 -17.813 8.776 1.00 30.73 C ATOM 1397 O ASN A 95 38.688 -18.668 9.657 1.00 31.42 O ATOM 1398 CB ASN A 95 36.360 -18.147 7.687 1.00 29.28 C ATOM 1399 CG ASN A 95 36.765 -18.429 6.240 1.00 29.19 C ATOM 1400 OD1 ASN A 95 38.057 -18.521 5.955 1.00 29.80 O flip ATOM 1401 ND2 ASN A 95 35.905 -18.587 5.379 1.00 28.49 N flip ATOM 0 H ASN A 95 37.359 -16.061 6.645 1.00 29.17 H new ATOM 0 HA ASN A 95 36.805 -16.886 9.370 1.00 29.71 H new ATOM 0 HB2 ASN A 95 36.340 -19.089 8.235 1.00 29.28 H new ATOM 0 HB3 ASN A 95 35.344 -17.752 7.696 1.00 29.28 H new ATOM 0 HD21 ASN A 95 34.918 -18.511 5.624 1.00 28.49 H new ATOM 0 HD22 ASN A 95 36.177 -18.794 4.418 1.00 28.49 H new ATOM 1408 N THR A 96 39.667 -17.436 8.062 1.00 30.87 N ATOM 1409 CA THR A 96 40.997 -17.961 8.330 1.00 31.86 C ATOM 1410 C THR A 96 41.965 -16.830 8.669 1.00 32.23 C ATOM 1411 O THR A 96 43.145 -17.070 8.940 1.00 33.14 O ATOM 1412 CB THR A 96 41.523 -18.760 7.129 1.00 31.96 C ATOM 1413 OG1 THR A 96 41.141 -18.095 5.924 1.00 31.19 O ATOM 1414 CG2 THR A 96 40.972 -20.180 7.132 1.00 32.02 C ATOM 0 H THR A 96 39.623 -16.768 7.292 1.00 30.87 H new ATOM 0 HA THR A 96 40.925 -18.630 9.187 1.00 31.86 H new ATOM 0 HB THR A 96 42.609 -18.820 7.195 1.00 31.96 H new ATOM 0 HG1 THR A 96 40.197 -18.278 5.734 1.00 31.19 H new ATOM 0 HG21 THR A 96 41.361 -20.723 6.271 1.00 32.02 H new ATOM 0 HG22 THR A 96 41.276 -20.686 8.048 1.00 32.02 H new ATOM 0 HG23 THR A 96 39.884 -20.148 7.080 1.00 32.02 H new ATOM 1422 N ARG A 97 41.446 -15.600 8.627 1.00 31.56 N ATOM 1423 CA ARG A 97 42.225 -14.396 8.956 1.00 31.87 C ATOM 1424 C ARG A 97 43.461 -14.290 8.088 1.00 32.27 C ATOM 1425 O ARG A 97 44.597 -14.384 8.556 1.00 33.03 O ATOM 1426 CB ARG A 97 42.587 -14.387 10.432 1.00 32.70 C ATOM 1427 CG ARG A 97 41.363 -14.278 11.301 1.00 32.43 C ATOM 1428 CD ARG A 97 41.726 -14.251 12.778 1.00 33.36 C ATOM 1429 NE ARG A 97 42.555 -15.396 13.155 1.00 33.97 N ATOM 1430 CZ ARG A 97 42.637 -15.899 14.386 1.00 34.73 C ATOM 1431 NH1 ARG A 97 41.899 -15.400 15.372 1.00 35.00 N ATOM 1432 NH2 ARG A 97 43.455 -16.919 14.625 1.00 35.29 N ATOM 0 H ARG A 97 40.479 -15.408 8.366 1.00 31.56 H new ATOM 0 HA ARG A 97 41.607 -13.522 8.751 1.00 31.87 H new ATOM 0 HB2 ARG A 97 43.130 -15.299 10.680 1.00 32.70 H new ATOM 0 HB3 ARG A 97 43.256 -13.552 10.638 1.00 32.70 H new ATOM 0 HG2 ARG A 97 40.813 -13.373 11.044 1.00 32.43 H new ATOM 0 HG3 ARG A 97 40.700 -15.120 11.104 1.00 32.43 H new ATOM 0 HD2 ARG A 97 42.258 -13.327 13.005 1.00 33.36 H new ATOM 0 HD3 ARG A 97 40.815 -14.249 13.376 1.00 33.36 H new ATOM 0 HE ARG A 97 43.110 -15.841 12.424 1.00 33.97 H new ATOM 0 HH11 ARG A 97 41.262 -14.624 15.190 1.00 35.00 H new ATOM 0 HH12 ARG A 97 41.970 -15.793 16.311 1.00 35.00 H new ATOM 0 HH21 ARG A 97 44.015 -17.312 13.868 1.00 35.29 H new ATOM 0 HH22 ARG A 97 43.523 -17.309 15.565 1.00 35.29 H new ATOM 1446 N THR A 98 43.213 -14.076 6.820 1.00 31.75 N ATOM 1447 CA THR A 98 44.273 -14.017 5.825 1.00 32.09 C ATOM 1448 C THR A 98 43.781 -13.282 4.583 1.00 31.35 C ATOM 1449 O THR A 98 42.589 -12.993 4.458 1.00 30.48 O ATOM 1450 CB THR A 98 44.747 -15.448 5.443 1.00 32.35 C ATOM 1451 OG1 THR A 98 45.906 -15.382 4.599 1.00 32.15 O ATOM 1452 CG2 THR A 98 43.641 -16.216 4.719 1.00 32.59 C ATOM 0 H THR A 98 42.276 -13.937 6.442 1.00 31.75 H new ATOM 0 HA THR A 98 45.118 -13.475 6.251 1.00 32.09 H new ATOM 0 HB THR A 98 44.997 -15.972 6.365 1.00 32.35 H new ATOM 0 HG1 THR A 98 46.194 -16.290 4.368 1.00 32.15 H new ATOM 0 HG21 THR A 98 43.998 -17.213 4.463 1.00 32.59 H new ATOM 0 HG22 THR A 98 42.770 -16.298 5.369 1.00 32.59 H new ATOM 0 HG23 THR A 98 43.365 -15.685 3.808 1.00 32.59 H new ATOM 1460 N THR A 99 44.701 -12.986 3.675 1.00 31.74 N ATOM 1461 CA THR A 99 44.372 -12.273 2.446 1.00 31.18 C ATOM 1462 C THR A 99 44.825 -13.073 1.214 1.00 31.15 C ATOM 1463 O THR A 99 46.020 -13.124 0.919 1.00 31.92 O ATOM 1464 CB THR A 99 45.057 -10.880 2.420 1.00 31.73 C ATOM 1465 OG1 THR A 99 46.417 -11.000 2.869 1.00 32.77 O ATOM 1466 CG2 THR A 99 44.320 -9.880 3.322 1.00 31.59 C ATOM 0 H THR A 99 45.687 -13.230 3.767 1.00 31.74 H new ATOM 0 HA THR A 99 43.290 -12.147 2.418 1.00 31.18 H new ATOM 0 HB THR A 99 45.029 -10.512 1.395 1.00 31.73 H new ATOM 0 HG1 THR A 99 46.843 -11.762 2.423 1.00 32.77 H new ATOM 0 HG21 THR A 99 44.824 -8.914 3.282 1.00 31.59 H new ATOM 0 HG22 THR A 99 43.292 -9.768 2.977 1.00 31.59 H new ATOM 0 HG23 THR A 99 44.320 -10.247 4.348 1.00 31.59 H new ATOM 1474 N THR A 100 43.893 -13.757 0.544 1.00 30.32 N ATOM 1475 CA THR A 100 44.224 -14.507 -0.657 1.00 30.31 C ATOM 1476 C THR A 100 44.067 -13.615 -1.882 1.00 29.79 C ATOM 1477 O THR A 100 43.391 -12.580 -1.826 1.00 29.19 O ATOM 1478 CB THR A 100 43.324 -15.754 -0.838 1.00 29.94 C ATOM 1479 OG1 THR A 100 44.024 -16.755 -1.588 1.00 30.23 O ATOM 1480 CG2 THR A 100 42.025 -15.403 -1.569 1.00 28.90 C ATOM 0 H THR A 100 42.911 -13.803 0.816 1.00 30.32 H new ATOM 0 HA THR A 100 45.256 -14.842 -0.549 1.00 30.31 H new ATOM 0 HB THR A 100 43.076 -16.131 0.154 1.00 29.94 H new ATOM 0 HG1 THR A 100 43.451 -17.542 -1.698 1.00 30.23 H new ATOM 0 HG21 THR A 100 41.416 -16.300 -1.680 1.00 28.90 H new ATOM 0 HG22 THR A 100 41.474 -14.659 -0.994 1.00 28.90 H new ATOM 0 HG23 THR A 100 42.259 -15.000 -2.554 1.00 28.90 H new ATOM 1488 N PHE A 101 44.704 -13.984 -2.976 1.00 30.11 N ATOM 1489 CA PHE A 101 44.519 -13.234 -4.191 1.00 29.74 C ATOM 1490 C PHE A 101 43.276 -13.704 -4.933 1.00 29.28 C ATOM 1491 O PHE A 101 42.937 -14.889 -4.946 1.00 29.75 O ATOM 1492 CB PHE A 101 45.759 -13.252 -5.069 1.00 30.55 C ATOM 1493 CG PHE A 101 46.503 -11.953 -4.970 1.00 30.86 C ATOM 1494 CD1 PHE A 101 45.921 -10.760 -5.363 1.00 30.67 C ATOM 1495 CD2 PHE A 101 47.806 -11.935 -4.493 1.00 31.41 C ATOM 1496 CE1 PHE A 101 46.626 -9.572 -5.280 1.00 31.03 C ATOM 1497 CE2 PHE A 101 48.516 -10.755 -4.409 1.00 31.76 C ATOM 1498 CZ PHE A 101 47.839 -9.524 -4.771 1.00 31.57 C ATOM 0 H PHE A 101 45.338 -14.780 -3.045 1.00 30.11 H new ATOM 0 HA PHE A 101 44.361 -12.191 -3.917 1.00 29.74 H new ATOM 0 HB2 PHE A 101 46.410 -14.073 -4.769 1.00 30.55 H new ATOM 0 HB3 PHE A 101 45.473 -13.434 -6.105 1.00 30.55 H new ATOM 0 HD1 PHE A 101 44.908 -10.756 -5.738 1.00 30.67 H new ATOM 0 HD2 PHE A 101 48.271 -12.859 -4.183 1.00 31.41 H new ATOM 0 HE1 PHE A 101 46.170 -8.662 -5.642 1.00 31.03 H new ATOM 0 HE2 PHE A 101 49.546 -10.748 -4.083 1.00 31.76 H new ATOM 0 HZ PHE A 101 48.328 -8.572 -4.624 1.00 31.57 H new ATOM 1508 N LYS A 102 42.620 -12.736 -5.538 1.00 28.42 N ATOM 1509 CA LYS A 102 41.333 -12.917 -6.196 1.00 27.96 C ATOM 1510 C LYS A 102 41.280 -14.018 -7.250 1.00 27.32 C ATOM 1511 O LYS A 102 42.236 -14.267 -7.986 1.00 26.80 O ATOM 1512 CB LYS A 102 40.861 -11.590 -6.835 1.00 27.61 C ATOM 1513 CG LYS A 102 41.949 -10.730 -7.498 1.00 27.94 C ATOM 1514 CD LYS A 102 42.738 -11.460 -8.579 1.00 27.68 C ATOM 1515 CE LYS A 102 41.885 -11.807 -9.789 1.00 27.51 C ATOM 1516 NZ LYS A 102 42.655 -12.582 -10.798 1.00 27.73 N ATOM 0 H LYS A 102 42.970 -11.779 -5.590 1.00 28.42 H new ATOM 0 HA LYS A 102 40.666 -13.236 -5.395 1.00 27.96 H new ATOM 0 HB2 LYS A 102 40.104 -11.821 -7.584 1.00 27.61 H new ATOM 0 HB3 LYS A 102 40.375 -10.992 -6.064 1.00 27.61 H new ATOM 0 HG2 LYS A 102 41.484 -9.846 -7.935 1.00 27.94 H new ATOM 0 HG3 LYS A 102 42.640 -10.380 -6.731 1.00 27.94 H new ATOM 0 HD2 LYS A 102 43.576 -10.838 -8.895 1.00 27.68 H new ATOM 0 HD3 LYS A 102 43.160 -12.374 -8.162 1.00 27.68 H new ATOM 0 HE2 LYS A 102 41.018 -12.385 -9.470 1.00 27.51 H new ATOM 0 HE3 LYS A 102 41.508 -10.891 -10.244 1.00 27.51 H new ATOM 0 HZ1 LYS A 102 42.042 -12.801 -11.609 1.00 27.73 H new ATOM 0 HZ2 LYS A 102 43.468 -12.020 -11.121 1.00 27.73 H new ATOM 0 HZ3 LYS A 102 42.994 -13.468 -10.371 1.00 27.73 H new ATOM 1530 N ASP A 103 40.188 -14.762 -7.188 1.00 27.47 N ATOM 1531 CA ASP A 103 39.825 -15.713 -8.216 1.00 26.99 C ATOM 1532 C ASP A 103 38.427 -15.337 -8.712 1.00 26.66 C ATOM 1533 O ASP A 103 37.629 -14.817 -7.929 1.00 27.04 O ATOM 1534 CB ASP A 103 39.840 -17.153 -7.689 1.00 27.47 C ATOM 1535 CG ASP A 103 39.617 -18.166 -8.794 1.00 27.51 C ATOM 1536 OD1 ASP A 103 38.448 -18.482 -9.099 1.00 27.33 O ATOM 1537 OD2 ASP A 103 40.615 -18.641 -9.380 1.00 27.82 O ATOM 0 H ASP A 103 39.525 -14.720 -6.414 1.00 27.47 H new ATOM 0 HA ASP A 103 40.551 -15.673 -9.028 1.00 26.99 H new ATOM 0 HB2 ASP A 103 40.796 -17.351 -7.203 1.00 27.47 H new ATOM 0 HB3 ASP A 103 39.067 -17.269 -6.930 1.00 27.47 H new ATOM 1542 N PRO A 104 38.131 -15.494 -10.016 1.00 26.03 N ATOM 1543 CA PRO A 104 36.806 -15.178 -10.572 1.00 25.74 C ATOM 1544 C PRO A 104 35.678 -15.956 -9.885 1.00 26.01 C ATOM 1545 O PRO A 104 34.529 -15.507 -9.865 1.00 25.99 O ATOM 1546 CB PRO A 104 36.921 -15.591 -12.056 1.00 25.14 C ATOM 1547 CG PRO A 104 38.138 -16.449 -12.128 1.00 25.07 C ATOM 1548 CD PRO A 104 39.061 -15.942 -11.059 1.00 25.65 C ATOM 0 HA PRO A 104 36.552 -14.128 -10.429 1.00 25.74 H new ATOM 0 HB2 PRO A 104 36.035 -16.135 -12.383 1.00 25.14 H new ATOM 0 HB3 PRO A 104 37.015 -14.718 -12.702 1.00 25.14 H new ATOM 0 HG2 PRO A 104 37.888 -17.497 -11.963 1.00 25.07 H new ATOM 0 HG3 PRO A 104 38.605 -16.383 -13.111 1.00 25.07 H new ATOM 0 HD2 PRO A 104 39.729 -16.723 -10.697 1.00 25.65 H new ATOM 0 HD3 PRO A 104 39.689 -15.127 -11.419 1.00 25.65 H new ATOM 1556 N ARG A 105 35.994 -17.134 -9.349 1.00 26.35 N ATOM 1557 CA ARG A 105 34.995 -17.948 -8.666 1.00 26.73 C ATOM 1558 C ARG A 105 35.287 -18.006 -7.160 1.00 27.46 C ATOM 1559 O ARG A 105 36.282 -18.607 -6.756 1.00 27.80 O ATOM 1560 CB ARG A 105 34.965 -19.368 -9.248 1.00 26.76 C ATOM 1561 CG ARG A 105 34.784 -19.404 -10.762 1.00 26.26 C ATOM 1562 CD ARG A 105 33.593 -18.566 -11.210 1.00 25.68 C ATOM 1563 NE ARG A 105 32.328 -19.021 -10.627 1.00 25.63 N ATOM 1564 CZ ARG A 105 31.295 -18.220 -10.379 1.00 25.39 C ATOM 1565 NH1 ARG A 105 31.385 -16.915 -10.615 1.00 25.18 N ATOM 1566 NH2 ARG A 105 30.179 -18.730 -9.866 1.00 25.45 N ATOM 0 H ARG A 105 36.928 -17.542 -9.375 1.00 26.35 H new ATOM 0 HA ARG A 105 34.019 -17.486 -8.818 1.00 26.73 H new ATOM 0 HB2 ARG A 105 35.893 -19.877 -8.989 1.00 26.76 H new ATOM 0 HB3 ARG A 105 34.154 -19.926 -8.780 1.00 26.76 H new ATOM 0 HG2 ARG A 105 35.689 -19.036 -11.245 1.00 26.26 H new ATOM 0 HG3 ARG A 105 34.646 -20.435 -11.087 1.00 26.26 H new ATOM 0 HD2 ARG A 105 33.762 -17.525 -10.933 1.00 25.68 H new ATOM 0 HD3 ARG A 105 33.520 -18.599 -12.297 1.00 25.68 H new ATOM 0 HE ARG A 105 32.234 -20.010 -10.398 1.00 25.63 H new ATOM 0 HH11 ARG A 105 32.249 -16.523 -10.988 1.00 25.18 H new ATOM 0 HH12 ARG A 105 30.590 -16.306 -10.423 1.00 25.18 H new ATOM 0 HH21 ARG A 105 30.120 -19.728 -9.666 1.00 25.45 H new ATOM 0 HH22 ARG A 105 29.383 -18.123 -9.673 1.00 25.45 H new ATOM 1580 N PRO A 106 34.460 -17.352 -6.307 1.00 27.81 N ATOM 1581 CA PRO A 106 34.648 -17.392 -4.849 1.00 28.58 C ATOM 1582 C PRO A 106 34.775 -18.819 -4.313 1.00 29.15 C ATOM 1583 O PRO A 106 33.902 -19.658 -4.544 1.00 29.20 O ATOM 1584 CB PRO A 106 33.381 -16.739 -4.303 1.00 28.76 C ATOM 1585 CG PRO A 106 32.928 -15.828 -5.389 1.00 28.29 C ATOM 1586 CD PRO A 106 33.329 -16.479 -6.689 1.00 27.58 C ATOM 0 HA PRO A 106 35.568 -16.889 -4.551 1.00 28.58 H new ATOM 0 HB2 PRO A 106 32.621 -17.484 -4.068 1.00 28.76 H new ATOM 0 HB3 PRO A 106 33.583 -16.189 -3.384 1.00 28.76 H new ATOM 0 HG2 PRO A 106 31.849 -15.680 -5.346 1.00 28.29 H new ATOM 0 HG3 PRO A 106 33.389 -14.845 -5.289 1.00 28.29 H new ATOM 0 HD2 PRO A 106 32.508 -17.052 -7.120 1.00 27.58 H new ATOM 0 HD3 PRO A 106 33.627 -15.740 -7.432 1.00 27.58 H new ATOM 1594 N GLY A 107 35.880 -19.092 -3.626 1.00 29.63 N ATOM 1595 CA GLY A 107 36.119 -20.415 -3.068 1.00 30.26 C ATOM 1596 C GLY A 107 36.866 -21.320 -4.042 1.00 30.07 C ATOM 1597 O GLY A 107 37.741 -22.079 -3.622 1.00 30.61 O ATOM 0 H GLY A 107 36.621 -18.415 -3.444 1.00 29.63 H new ATOM 0 HA2 GLY A 107 36.694 -20.321 -2.147 1.00 30.26 H new ATOM 0 HA3 GLY A 107 35.166 -20.875 -2.804 1.00 30.26 H new ATOM 1601 N PHE A 108 36.553 -21.182 -5.352 1.00 29.36 N ATOM 1602 CA PHE A 108 37.188 -21.957 -6.450 1.00 29.20 C ATOM 1603 C PHE A 108 37.454 -23.429 -6.102 1.00 29.85 C ATOM 1604 O PHE A 108 38.345 -24.050 -6.685 1.00 30.10 O ATOM 1605 CB PHE A 108 38.488 -21.258 -6.935 1.00 29.02 C ATOM 1606 CG PHE A 108 39.527 -21.014 -5.864 1.00 28.90 C ATOM 1607 CD1 PHE A 108 40.476 -21.982 -5.579 1.00 29.07 C ATOM 1608 CD2 PHE A 108 39.559 -19.820 -5.150 1.00 28.70 C ATOM 1609 CE1 PHE A 108 41.433 -21.770 -4.605 1.00 29.04 C ATOM 1610 CE2 PHE A 108 40.515 -19.605 -4.176 1.00 28.68 C ATOM 1611 CZ PHE A 108 41.453 -20.581 -3.902 1.00 28.85 C ATOM 0 H PHE A 108 35.847 -20.524 -5.682 1.00 29.36 H new ATOM 0 HA PHE A 108 36.462 -21.973 -7.263 1.00 29.20 H new ATOM 0 HB2 PHE A 108 38.936 -21.865 -7.721 1.00 29.02 H new ATOM 0 HB3 PHE A 108 38.221 -20.301 -7.384 1.00 29.02 H new ATOM 0 HD1 PHE A 108 40.468 -22.914 -6.125 1.00 29.07 H new ATOM 0 HD2 PHE A 108 38.828 -19.053 -5.360 1.00 28.70 H new ATOM 0 HE1 PHE A 108 42.166 -22.534 -4.393 1.00 29.04 H new ATOM 0 HE2 PHE A 108 40.529 -18.674 -3.629 1.00 28.68 H new ATOM 0 HZ PHE A 108 42.200 -20.415 -3.140 1.00 28.85 H new ATOM 1621 N GLU A 109 36.602 -24.028 -5.274 1.00 30.16 N ATOM 1622 CA GLU A 109 36.764 -25.428 -4.918 1.00 30.84 C ATOM 1623 C GLU A 109 35.432 -26.012 -4.450 1.00 31.39 C ATOM 1624 O GLU A 109 35.102 -25.883 -3.255 1.00 31.70 O ATOM 1625 CB GLU A 109 37.856 -25.584 -3.832 1.00 30.99 C ATOM 1626 CG GLU A 109 38.122 -27.021 -3.354 1.00 31.54 C ATOM 1627 CD GLU A 109 39.025 -27.075 -2.138 1.00 31.75 C ATOM 1628 OE1 GLU A 109 40.228 -26.758 -2.261 1.00 32.01 O ATOM 1629 OE2 GLU A 109 38.538 -27.453 -1.052 1.00 31.74 O ATOM 1630 OXT GLU A 109 34.711 -26.589 -5.289 1.00 31.58 O ATOM 0 H GLU A 109 35.801 -23.568 -4.842 1.00 30.16 H new ATOM 0 HA GLU A 109 37.085 -25.983 -5.800 1.00 30.84 H new ATOM 0 HB2 GLU A 109 38.788 -25.171 -4.218 1.00 30.99 H new ATOM 0 HB3 GLU A 109 37.573 -24.980 -2.969 1.00 30.99 H new ATOM 0 HG2 GLU A 109 37.173 -27.503 -3.118 1.00 31.54 H new ATOM 0 HG3 GLU A 109 38.576 -27.591 -4.164 1.00 31.54 H new TER 1637 GLU A 109