USER MOD reduce.3.24.130724 H: found=0, std=0, add=1274, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1272 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: B 74 ASN : amide:sc= -1.65 K(o=-1.9,f=-2.5!) USER MOD Set 1.2: B 75 THR OG1 : rot 180:sc= -0.208 USER MOD Set 2.1: B 22 TYR OH : rot -130:sc= -1.97! USER MOD Set 2.2: B 52 GLN : amide:sc= -3.9! C(o=-5.9!,f=-4.7!) USER MOD Set 3.1: A 22 TYR OH : rot 124:sc= 1.24 USER MOD Set 3.2: A 52 GLN : amide:sc= -2.42 X(o=-1.2,f=-1.1) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 66:sc= 0.21 USER MOD Single : A 6 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot -66:sc= -0.657 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.0238) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl -147:sc= -0.362 (180deg=-1.77!) USER MOD Single : A 30 MET CE :methyl -154:sc= -0.0502 (180deg=-2.29) USER MOD Single : A 31 TYR OH : rot 180:sc=-0.00177 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -1.79 K(o=-1.8,f=-0.24) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= -0.312 USER MOD Single : A 56 ASN : amide:sc= -1.99! K(o=-2!,f=-0.19) USER MOD Single : A 58 TYR OH : rot 19:sc= 1.22 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.222 X(o=-0.22,f=-0.2) USER MOD Single : A 62 HIS : no HD1:sc= -0.703 K(o=-0.7,f=-2.5!) USER MOD Single : A 63 ASN : amide:sc= -4.47! K(o=-4.5!,f=-1.5) USER MOD Single : A 65 ASN : amide:sc= -0.463 X(o=-0.46,f=-0.34) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -3.95! C(o=-4!,f=-6.2!) USER MOD Single : A 75 THR OG1 : rot 31:sc= 0.154 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 CYS SG : rot -62:sc= 0.464 USER MOD Single : B 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= -0.267 USER MOD Single : B 6 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : B 12 TYR OH : rot 180:sc= 0 USER MOD Single : B 13 CYS SG : rot -64:sc= -1.09 USER MOD Single : B 14 GLN : amide:sc= 0.557 X(o=0.56,f=0.072) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 LYS NZ :NH3+ -166:sc= -5.37! (180deg=-6.18!) USER MOD Single : B 27 MET CE :methyl -175:sc=-0.00222 (180deg=-0.0205) USER MOD Single : B 30 MET CE :methyl -166:sc= -0.51 (180deg=-1.25) USER MOD Single : B 31 TYR OH : rot 180:sc= 0 USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 40 ASN : amide:sc= -1.56 K(o=-1.6,f=-0.22) USER MOD Single : B 45 SER OG : rot -68:sc= -0.0329 USER MOD Single : B 53 TYR OH : rot 180:sc= -0.0926 USER MOD Single : B 56 ASN : amide:sc= -1.71! K(o=-1.7!,f=-0.33) USER MOD Single : B 58 TYR OH : rot 180:sc= 0 USER MOD Single : B 59 SER OG : rot 83:sc= 0.464 USER MOD Single : B 61 GLN : amide:sc= 0 X(o=0,f=-0.079) USER MOD Single : B 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 63 ASN : amide:sc= -2.71! K(o=-2.7!,f=-0.18) USER MOD Single : B 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 67 TYR OH : rot 180:sc= 0 USER MOD Single : B 76 THR OG1 : rot 180:sc= 0 USER MOD Single : B 78 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : B 79 CYS SG : rot 180:sc= 0.266 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 46.693 14.469 35.995 1.00 6.58 N ATOM 2 CA GLY A 1 46.820 15.500 34.870 1.00 5.97 C ATOM 3 C GLY A 1 45.719 15.655 33.877 1.00 5.09 C ATOM 4 O GLY A 1 44.836 14.826 33.779 1.00 5.27 O ATOM 0 H1 GLY A 1 47.546 14.497 36.589 1.00 6.58 H new ATOM 0 H2 GLY A 1 45.859 14.690 36.576 1.00 6.58 H new ATOM 0 H3 GLY A 1 46.588 13.519 35.585 1.00 6.58 H new ATOM 0 HA2 GLY A 1 46.976 16.473 35.337 1.00 5.97 H new ATOM 0 HA3 GLY A 1 47.728 15.264 34.314 1.00 5.97 H new ATOM 10 N SER A 2 45.743 16.714 33.113 1.00 4.50 N ATOM 11 CA SER A 2 44.675 16.928 32.095 1.00 3.95 C ATOM 12 C SER A 2 44.899 18.265 31.352 1.00 3.15 C ATOM 13 O SER A 2 44.923 18.273 30.137 1.00 3.20 O ATOM 14 CB SER A 2 43.286 16.885 32.765 1.00 4.48 C ATOM 15 OG SER A 2 42.585 15.739 32.300 1.00 5.04 O ATOM 0 H SER A 2 46.457 17.441 33.150 1.00 4.50 H new ATOM 0 HA SER A 2 44.720 16.126 31.359 1.00 3.95 H new ATOM 0 HB2 SER A 2 43.392 16.848 33.849 1.00 4.48 H new ATOM 0 HB3 SER A 2 42.726 17.790 32.530 1.00 4.48 H new ATOM 0 HG SER A 2 43.038 14.929 32.613 1.00 5.04 H new ATOM 21 N PRO A 3 45.056 19.363 32.074 1.00 2.92 N ATOM 22 CA PRO A 3 45.271 20.669 31.419 1.00 2.64 C ATOM 23 C PRO A 3 46.568 20.625 30.594 1.00 2.05 C ATOM 24 O PRO A 3 46.989 19.577 30.149 1.00 2.43 O ATOM 25 CB PRO A 3 45.357 21.692 32.579 1.00 3.31 C ATOM 26 CG PRO A 3 45.168 20.908 33.910 1.00 3.84 C ATOM 27 CD PRO A 3 45.034 19.409 33.556 1.00 3.57 C ATOM 0 HA PRO A 3 44.474 20.936 30.725 1.00 2.64 H new ATOM 0 HB2 PRO A 3 46.320 22.203 32.569 1.00 3.31 H new ATOM 0 HB3 PRO A 3 44.588 22.458 32.473 1.00 3.31 H new ATOM 0 HG2 PRO A 3 46.017 21.070 34.574 1.00 3.84 H new ATOM 0 HG3 PRO A 3 44.280 21.258 34.437 1.00 3.84 H new ATOM 0 HD2 PRO A 3 45.852 18.828 33.981 1.00 3.57 H new ATOM 0 HD3 PRO A 3 44.108 18.991 33.950 1.00 3.57 H new ATOM 35 N LEU A 4 47.196 21.755 30.390 1.00 1.82 N ATOM 36 CA LEU A 4 48.459 21.791 29.598 1.00 1.56 C ATOM 37 C LEU A 4 48.229 21.140 28.230 1.00 1.26 C ATOM 38 O LEU A 4 47.997 21.812 27.244 1.00 1.39 O ATOM 39 CB LEU A 4 49.564 21.041 30.357 1.00 2.02 C ATOM 40 CG LEU A 4 50.170 21.950 31.431 1.00 2.71 C ATOM 41 CD1 LEU A 4 49.094 22.331 32.447 1.00 3.37 C ATOM 42 CD2 LEU A 4 51.303 21.208 32.144 1.00 3.27 C ATOM 0 H LEU A 4 46.884 22.660 30.742 1.00 1.82 H new ATOM 0 HA LEU A 4 48.766 22.827 29.452 1.00 1.56 H new ATOM 0 HB2 LEU A 4 49.154 20.142 30.818 1.00 2.02 H new ATOM 0 HB3 LEU A 4 50.339 20.718 29.662 1.00 2.02 H new ATOM 0 HG LEU A 4 50.562 22.853 30.963 1.00 2.71 H new ATOM 0 HD11 LEU A 4 49.527 22.978 33.210 1.00 3.37 H new ATOM 0 HD12 LEU A 4 48.286 22.858 31.940 1.00 3.37 H new ATOM 0 HD13 LEU A 4 48.701 21.429 32.916 1.00 3.37 H new ATOM 0 HD21 LEU A 4 51.736 21.853 32.909 1.00 3.27 H new ATOM 0 HD22 LEU A 4 50.909 20.305 32.611 1.00 3.27 H new ATOM 0 HD23 LEU A 4 52.072 20.937 31.421 1.00 3.27 H new ATOM 54 N GLY A 5 48.290 19.840 28.162 1.00 1.15 N ATOM 55 CA GLY A 5 48.076 19.147 26.859 1.00 1.08 C ATOM 56 C GLY A 5 46.834 19.717 26.170 1.00 0.85 C ATOM 57 O GLY A 5 46.736 19.732 24.959 1.00 0.91 O ATOM 0 H GLY A 5 48.479 19.225 28.954 1.00 1.15 H new ATOM 0 HA2 GLY A 5 48.950 19.276 26.220 1.00 1.08 H new ATOM 0 HA3 GLY A 5 47.955 18.076 27.021 1.00 1.08 H new ATOM 61 N GLN A 6 45.885 20.187 26.931 1.00 0.75 N ATOM 62 CA GLN A 6 44.652 20.756 26.317 1.00 0.73 C ATOM 63 C GLN A 6 45.039 21.843 25.311 1.00 0.58 C ATOM 64 O GLN A 6 44.304 22.143 24.392 1.00 0.62 O ATOM 65 CB GLN A 6 43.769 21.360 27.412 1.00 0.91 C ATOM 66 CG GLN A 6 42.392 21.692 26.833 1.00 1.13 C ATOM 67 CD GLN A 6 41.595 22.515 27.848 1.00 1.99 C ATOM 68 OE1 GLN A 6 41.852 22.452 29.033 1.00 2.72 O ATOM 69 NE2 GLN A 6 40.631 23.289 27.429 1.00 2.62 N ATOM 0 H GLN A 6 45.909 20.202 27.951 1.00 0.75 H new ATOM 0 HA GLN A 6 44.102 19.967 25.804 1.00 0.73 H new ATOM 0 HB2 GLN A 6 43.667 20.659 28.240 1.00 0.91 H new ATOM 0 HB3 GLN A 6 44.234 22.261 27.813 1.00 0.91 H new ATOM 0 HG2 GLN A 6 42.502 22.250 25.903 1.00 1.13 H new ATOM 0 HG3 GLN A 6 41.856 20.774 26.593 1.00 1.13 H new ATOM 0 HE21 GLN A 6 40.415 23.342 26.433 1.00 2.62 H new ATOM 0 HE22 GLN A 6 40.093 23.841 28.097 1.00 2.62 H new ATOM 78 N ASP A 7 46.190 22.436 25.479 1.00 0.55 N ATOM 79 CA ASP A 7 46.628 23.503 24.535 1.00 0.53 C ATOM 80 C ASP A 7 46.472 23.012 23.096 1.00 0.43 C ATOM 81 O ASP A 7 45.863 23.660 22.268 1.00 0.48 O ATOM 82 CB ASP A 7 48.099 23.842 24.796 1.00 0.67 C ATOM 83 CG ASP A 7 48.442 25.179 24.136 1.00 1.37 C ATOM 84 OD1 ASP A 7 47.690 25.601 23.274 1.00 2.11 O ATOM 85 OD2 ASP A 7 49.452 25.757 24.503 1.00 1.94 O ATOM 0 H ASP A 7 46.847 22.227 26.231 1.00 0.55 H new ATOM 0 HA ASP A 7 46.014 24.391 24.685 1.00 0.53 H new ATOM 0 HB2 ASP A 7 48.286 23.896 25.869 1.00 0.67 H new ATOM 0 HB3 ASP A 7 48.740 23.054 24.400 1.00 0.67 H new ATOM 90 N VAL A 8 47.024 21.871 22.794 1.00 0.38 N ATOM 91 CA VAL A 8 46.920 21.330 21.408 1.00 0.43 C ATOM 92 C VAL A 8 45.472 21.436 20.921 1.00 0.40 C ATOM 93 O VAL A 8 45.213 21.828 19.801 1.00 0.55 O ATOM 94 CB VAL A 8 47.357 19.865 21.398 1.00 0.52 C ATOM 95 CG1 VAL A 8 47.600 19.413 19.957 1.00 1.02 C ATOM 96 CG2 VAL A 8 48.651 19.715 22.202 1.00 1.23 C ATOM 0 H VAL A 8 47.545 21.287 23.448 1.00 0.38 H new ATOM 0 HA VAL A 8 47.566 21.906 20.746 1.00 0.43 H new ATOM 0 HB VAL A 8 46.575 19.250 21.844 1.00 0.52 H new ATOM 0 HG11 VAL A 8 47.912 18.368 19.951 1.00 1.02 H new ATOM 0 HG12 VAL A 8 46.680 19.521 19.382 1.00 1.02 H new ATOM 0 HG13 VAL A 8 48.382 20.027 19.510 1.00 1.02 H new ATOM 0 HG21 VAL A 8 48.964 18.671 22.196 1.00 1.23 H new ATOM 0 HG22 VAL A 8 49.431 20.330 21.754 1.00 1.23 H new ATOM 0 HG23 VAL A 8 48.480 20.037 23.229 1.00 1.23 H new ATOM 106 N PHE A 9 44.527 21.096 21.754 1.00 0.27 N ATOM 107 CA PHE A 9 43.099 21.186 21.333 1.00 0.25 C ATOM 108 C PHE A 9 42.835 22.573 20.744 1.00 0.25 C ATOM 109 O PHE A 9 42.208 22.709 19.712 1.00 0.36 O ATOM 110 CB PHE A 9 42.194 20.954 22.548 1.00 0.23 C ATOM 111 CG PHE A 9 40.797 20.631 22.080 1.00 0.19 C ATOM 112 CD1 PHE A 9 39.875 21.660 21.865 1.00 0.20 C ATOM 113 CD2 PHE A 9 40.425 19.300 21.856 1.00 0.19 C ATOM 114 CE1 PHE A 9 38.582 21.359 21.428 1.00 0.21 C ATOM 115 CE2 PHE A 9 39.131 19.000 21.417 1.00 0.19 C ATOM 116 CZ PHE A 9 38.210 20.031 21.203 1.00 0.20 C ATOM 0 H PHE A 9 44.680 20.761 22.705 1.00 0.27 H new ATOM 0 HA PHE A 9 42.887 20.427 20.580 1.00 0.25 H new ATOM 0 HB2 PHE A 9 42.584 20.137 23.155 1.00 0.23 H new ATOM 0 HB3 PHE A 9 42.181 21.842 23.180 1.00 0.23 H new ATOM 0 HD1 PHE A 9 40.162 22.687 22.037 1.00 0.20 H new ATOM 0 HD2 PHE A 9 41.137 18.505 22.022 1.00 0.19 H new ATOM 0 HE1 PHE A 9 37.869 22.154 21.264 1.00 0.21 H new ATOM 0 HE2 PHE A 9 38.843 17.974 21.243 1.00 0.19 H new ATOM 0 HZ PHE A 9 37.211 19.800 20.864 1.00 0.20 H new ATOM 126 N LEU A 10 43.318 23.603 21.382 1.00 0.21 N ATOM 127 CA LEU A 10 43.100 24.973 20.843 1.00 0.21 C ATOM 128 C LEU A 10 43.878 25.116 19.536 1.00 0.22 C ATOM 129 O LEU A 10 43.503 25.865 18.656 1.00 0.27 O ATOM 130 CB LEU A 10 43.599 26.011 21.851 1.00 0.24 C ATOM 131 CG LEU A 10 42.914 25.792 23.206 1.00 0.27 C ATOM 132 CD1 LEU A 10 43.648 26.600 24.273 1.00 0.31 C ATOM 133 CD2 LEU A 10 41.448 26.248 23.143 1.00 0.28 C ATOM 0 H LEU A 10 43.852 23.555 22.250 1.00 0.21 H new ATOM 0 HA LEU A 10 42.037 25.134 20.664 1.00 0.21 H new ATOM 0 HB2 LEU A 10 44.680 25.932 21.963 1.00 0.24 H new ATOM 0 HB3 LEU A 10 43.389 27.016 21.486 1.00 0.24 H new ATOM 0 HG LEU A 10 42.943 24.731 23.453 1.00 0.27 H new ATOM 0 HD11 LEU A 10 43.166 26.449 25.239 1.00 0.31 H new ATOM 0 HD12 LEU A 10 44.685 26.271 24.329 1.00 0.31 H new ATOM 0 HD13 LEU A 10 43.617 27.658 24.014 1.00 0.31 H new ATOM 0 HD21 LEU A 10 40.975 26.087 24.112 1.00 0.28 H new ATOM 0 HD22 LEU A 10 41.407 27.308 22.891 1.00 0.28 H new ATOM 0 HD23 LEU A 10 40.921 25.674 22.381 1.00 0.28 H new ATOM 145 N ASP A 11 44.959 24.397 19.401 1.00 0.21 N ATOM 146 CA ASP A 11 45.759 24.485 18.148 1.00 0.23 C ATOM 147 C ASP A 11 44.911 23.986 16.977 1.00 0.20 C ATOM 148 O ASP A 11 44.769 24.656 15.976 1.00 0.29 O ATOM 149 CB ASP A 11 47.017 23.622 18.278 1.00 0.27 C ATOM 150 CG ASP A 11 48.010 23.998 17.176 1.00 1.08 C ATOM 151 OD1 ASP A 11 48.689 25.000 17.334 1.00 1.64 O ATOM 152 OD2 ASP A 11 48.075 23.278 16.193 1.00 1.92 O ATOM 0 H ASP A 11 45.322 23.753 20.104 1.00 0.21 H new ATOM 0 HA ASP A 11 46.053 25.520 17.973 1.00 0.23 H new ATOM 0 HB2 ASP A 11 47.472 23.769 19.258 1.00 0.27 H new ATOM 0 HB3 ASP A 11 46.756 22.566 18.203 1.00 0.27 H new ATOM 157 N TYR A 12 44.342 22.816 17.089 1.00 0.14 N ATOM 158 CA TYR A 12 43.506 22.304 15.971 1.00 0.12 C ATOM 159 C TYR A 12 42.397 23.316 15.683 1.00 0.11 C ATOM 160 O TYR A 12 42.083 23.610 14.548 1.00 0.15 O ATOM 161 CB TYR A 12 42.880 20.956 16.357 1.00 0.12 C ATOM 162 CG TYR A 12 43.963 19.902 16.513 1.00 0.16 C ATOM 163 CD1 TYR A 12 44.791 19.569 15.431 1.00 0.22 C ATOM 164 CD2 TYR A 12 44.138 19.255 17.744 1.00 0.20 C ATOM 165 CE1 TYR A 12 45.787 18.595 15.584 1.00 0.28 C ATOM 166 CE2 TYR A 12 45.133 18.284 17.895 1.00 0.27 C ATOM 167 CZ TYR A 12 45.958 17.954 16.816 1.00 0.30 C ATOM 168 OH TYR A 12 46.939 16.995 16.965 1.00 0.37 O ATOM 0 H TYR A 12 44.420 22.200 17.898 1.00 0.14 H new ATOM 0 HA TYR A 12 44.126 22.164 15.086 1.00 0.12 H new ATOM 0 HB2 TYR A 12 42.324 21.058 17.289 1.00 0.12 H new ATOM 0 HB3 TYR A 12 42.167 20.645 15.593 1.00 0.12 H new ATOM 0 HD1 TYR A 12 44.661 20.063 14.480 1.00 0.22 H new ATOM 0 HD2 TYR A 12 43.502 19.507 18.579 1.00 0.20 H new ATOM 0 HE1 TYR A 12 46.423 18.339 14.750 1.00 0.28 H new ATOM 0 HE2 TYR A 12 45.264 17.789 18.846 1.00 0.27 H new ATOM 0 HH TYR A 12 46.923 16.651 17.882 1.00 0.37 H new ATOM 178 N CYS A 13 41.807 23.852 16.711 1.00 0.12 N ATOM 179 CA CYS A 13 40.721 24.851 16.522 1.00 0.15 C ATOM 180 C CYS A 13 41.248 26.027 15.699 1.00 0.16 C ATOM 181 O CYS A 13 40.644 26.437 14.728 1.00 0.19 O ATOM 182 CB CYS A 13 40.254 25.352 17.890 1.00 0.19 C ATOM 183 SG CYS A 13 39.278 24.064 18.704 1.00 1.38 S ATOM 0 H CYS A 13 42.032 23.639 17.683 1.00 0.12 H new ATOM 0 HA CYS A 13 39.885 24.389 15.997 1.00 0.15 H new ATOM 0 HB2 CYS A 13 41.114 25.615 18.506 1.00 0.19 H new ATOM 0 HB3 CYS A 13 39.657 26.256 17.773 1.00 0.19 H new ATOM 0 HG CYS A 13 38.179 23.866 18.038 1.00 1.38 H new ATOM 189 N GLN A 14 42.375 26.569 16.077 1.00 0.17 N ATOM 190 CA GLN A 14 42.948 27.713 15.318 1.00 0.21 C ATOM 191 C GLN A 14 42.906 27.398 13.818 1.00 0.21 C ATOM 192 O GLN A 14 42.553 28.234 13.011 1.00 0.28 O ATOM 193 CB GLN A 14 44.397 27.937 15.768 1.00 0.25 C ATOM 194 CG GLN A 14 44.417 28.725 17.081 1.00 0.64 C ATOM 195 CD GLN A 14 45.866 28.968 17.509 1.00 0.78 C ATOM 196 OE1 GLN A 14 46.327 28.404 18.481 1.00 1.68 O ATOM 197 NE2 GLN A 14 46.608 29.790 16.818 1.00 1.31 N ATOM 0 H GLN A 14 42.923 26.266 16.882 1.00 0.17 H new ATOM 0 HA GLN A 14 42.368 28.616 15.508 1.00 0.21 H new ATOM 0 HB2 GLN A 14 44.898 26.978 15.901 1.00 0.25 H new ATOM 0 HB3 GLN A 14 44.946 28.480 14.999 1.00 0.25 H new ATOM 0 HG2 GLN A 14 43.900 29.676 16.954 1.00 0.64 H new ATOM 0 HG3 GLN A 14 43.885 28.174 17.856 1.00 0.64 H new ATOM 0 HE21 GLN A 14 46.221 30.263 16.002 1.00 1.31 H new ATOM 0 HE22 GLN A 14 47.575 29.959 17.094 1.00 1.31 H new ATOM 206 N LYS A 15 43.248 26.195 13.439 1.00 0.20 N ATOM 207 CA LYS A 15 43.204 25.839 11.993 1.00 0.22 C ATOM 208 C LYS A 15 41.756 25.949 11.512 1.00 0.19 C ATOM 209 O LYS A 15 41.449 26.663 10.579 1.00 0.22 O ATOM 210 CB LYS A 15 43.703 24.405 11.800 1.00 0.25 C ATOM 211 CG LYS A 15 45.208 24.343 12.096 1.00 0.57 C ATOM 212 CD LYS A 15 45.695 22.881 12.110 1.00 1.16 C ATOM 213 CE LYS A 15 46.024 22.419 10.687 1.00 1.52 C ATOM 214 NZ LYS A 15 47.367 22.934 10.295 1.00 2.24 N ATOM 0 H LYS A 15 43.554 25.449 14.064 1.00 0.20 H new ATOM 0 HA LYS A 15 43.841 26.514 11.422 1.00 0.22 H new ATOM 0 HB2 LYS A 15 43.163 23.728 12.462 1.00 0.25 H new ATOM 0 HB3 LYS A 15 43.508 24.075 10.780 1.00 0.25 H new ATOM 0 HG2 LYS A 15 45.757 24.908 11.342 1.00 0.57 H new ATOM 0 HG3 LYS A 15 45.415 24.811 13.059 1.00 0.57 H new ATOM 0 HD2 LYS A 15 46.578 22.790 12.743 1.00 1.16 H new ATOM 0 HD3 LYS A 15 44.927 22.238 12.540 1.00 1.16 H new ATOM 0 HE2 LYS A 15 46.011 21.330 10.635 1.00 1.52 H new ATOM 0 HE3 LYS A 15 45.267 22.781 9.992 1.00 1.52 H new ATOM 0 HZ1 LYS A 15 47.389 23.100 9.269 1.00 2.24 H new ATOM 0 HZ2 LYS A 15 47.556 23.826 10.795 1.00 2.24 H new ATOM 0 HZ3 LYS A 15 48.094 22.235 10.548 1.00 2.24 H new ATOM 228 N LEU A 16 40.861 25.256 12.161 1.00 0.15 N ATOM 229 CA LEU A 16 39.425 25.319 11.773 1.00 0.13 C ATOM 230 C LEU A 16 39.010 26.791 11.655 1.00 0.13 C ATOM 231 O LEU A 16 38.106 27.142 10.925 1.00 0.17 O ATOM 232 CB LEU A 16 38.596 24.618 12.877 1.00 0.11 C ATOM 233 CG LEU A 16 37.511 23.708 12.273 1.00 0.14 C ATOM 234 CD1 LEU A 16 38.152 22.504 11.554 1.00 0.26 C ATOM 235 CD2 LEU A 16 36.605 23.220 13.409 1.00 0.17 C ATOM 0 H LEU A 16 41.066 24.644 12.950 1.00 0.15 H new ATOM 0 HA LEU A 16 39.256 24.824 10.817 1.00 0.13 H new ATOM 0 HB2 LEU A 16 39.257 24.027 13.511 1.00 0.11 H new ATOM 0 HB3 LEU A 16 38.130 25.368 13.515 1.00 0.11 H new ATOM 0 HG LEU A 16 36.929 24.266 11.540 1.00 0.14 H new ATOM 0 HD11 LEU A 16 37.369 21.872 11.134 1.00 0.26 H new ATOM 0 HD12 LEU A 16 38.799 22.861 10.753 1.00 0.26 H new ATOM 0 HD13 LEU A 16 38.741 21.926 12.266 1.00 0.26 H new ATOM 0 HD21 LEU A 16 35.828 22.573 13.002 1.00 0.17 H new ATOM 0 HD22 LEU A 16 37.199 22.663 14.134 1.00 0.17 H new ATOM 0 HD23 LEU A 16 36.143 24.077 13.900 1.00 0.17 H new ATOM 247 N LEU A 17 39.657 27.645 12.396 1.00 0.12 N ATOM 248 CA LEU A 17 39.307 29.091 12.366 1.00 0.13 C ATOM 249 C LEU A 17 40.012 29.796 11.199 1.00 0.15 C ATOM 250 O LEU A 17 39.415 30.578 10.487 1.00 0.22 O ATOM 251 CB LEU A 17 39.743 29.721 13.697 1.00 0.12 C ATOM 252 CG LEU A 17 38.958 31.023 13.959 1.00 0.12 C ATOM 253 CD1 LEU A 17 37.623 30.704 14.645 1.00 0.12 C ATOM 254 CD2 LEU A 17 39.769 31.945 14.876 1.00 0.13 C ATOM 0 H LEU A 17 40.420 27.401 13.027 1.00 0.12 H new ATOM 0 HA LEU A 17 38.232 29.203 12.227 1.00 0.13 H new ATOM 0 HB2 LEU A 17 39.575 29.017 14.512 1.00 0.12 H new ATOM 0 HB3 LEU A 17 40.812 29.932 13.674 1.00 0.12 H new ATOM 0 HG LEU A 17 38.775 31.514 13.003 1.00 0.12 H new ATOM 0 HD11 LEU A 17 37.076 31.630 14.826 1.00 0.12 H new ATOM 0 HD12 LEU A 17 37.031 30.052 14.003 1.00 0.12 H new ATOM 0 HD13 LEU A 17 37.812 30.203 15.594 1.00 0.12 H new ATOM 0 HD21 LEU A 17 39.209 32.862 15.057 1.00 0.13 H new ATOM 0 HD22 LEU A 17 39.957 31.441 15.824 1.00 0.13 H new ATOM 0 HD23 LEU A 17 40.719 32.188 14.400 1.00 0.13 H new ATOM 266 N GLU A 18 41.279 29.548 11.012 1.00 0.20 N ATOM 267 CA GLU A 18 42.015 30.229 9.908 1.00 0.25 C ATOM 268 C GLU A 18 41.534 29.713 8.543 1.00 0.21 C ATOM 269 O GLU A 18 41.455 30.457 7.586 1.00 0.25 O ATOM 270 CB GLU A 18 43.529 29.992 10.079 1.00 0.32 C ATOM 271 CG GLU A 18 43.952 28.660 9.438 1.00 1.41 C ATOM 272 CD GLU A 18 45.316 28.231 9.985 1.00 2.13 C ATOM 273 OE1 GLU A 18 45.513 28.339 11.184 1.00 2.77 O ATOM 274 OE2 GLU A 18 46.140 27.801 9.194 1.00 2.62 O ATOM 0 H GLU A 18 41.836 28.905 11.574 1.00 0.20 H new ATOM 0 HA GLU A 18 41.817 31.300 9.950 1.00 0.25 H new ATOM 0 HB2 GLU A 18 44.083 30.812 9.622 1.00 0.32 H new ATOM 0 HB3 GLU A 18 43.783 29.987 11.139 1.00 0.32 H new ATOM 0 HG2 GLU A 18 43.208 27.892 9.649 1.00 1.41 H new ATOM 0 HG3 GLU A 18 44.002 28.767 8.354 1.00 1.41 H new ATOM 281 N LYS A 19 41.221 28.449 8.440 1.00 0.20 N ATOM 282 CA LYS A 19 40.760 27.909 7.140 1.00 0.20 C ATOM 283 C LYS A 19 39.430 28.564 6.767 1.00 0.18 C ATOM 284 O LYS A 19 39.273 29.102 5.689 1.00 0.24 O ATOM 285 CB LYS A 19 40.587 26.391 7.278 1.00 0.22 C ATOM 286 CG LYS A 19 41.932 25.686 7.068 1.00 0.30 C ATOM 287 CD LYS A 19 41.726 24.171 7.111 1.00 0.37 C ATOM 288 CE LYS A 19 43.080 23.473 7.247 1.00 0.92 C ATOM 289 NZ LYS A 19 42.903 22.003 7.068 1.00 1.77 N ATOM 0 H LYS A 19 41.266 27.772 9.202 1.00 0.20 H new ATOM 0 HA LYS A 19 41.487 28.122 6.356 1.00 0.20 H new ATOM 0 HB2 LYS A 19 40.192 26.150 8.265 1.00 0.22 H new ATOM 0 HB3 LYS A 19 39.862 26.032 6.548 1.00 0.22 H new ATOM 0 HG2 LYS A 19 42.362 25.978 6.110 1.00 0.30 H new ATOM 0 HG3 LYS A 19 42.638 25.990 7.841 1.00 0.30 H new ATOM 0 HD2 LYS A 19 41.082 23.905 7.950 1.00 0.37 H new ATOM 0 HD3 LYS A 19 41.222 23.836 6.204 1.00 0.37 H new ATOM 0 HE2 LYS A 19 43.776 23.859 6.503 1.00 0.92 H new ATOM 0 HE3 LYS A 19 43.512 23.681 8.226 1.00 0.92 H new ATOM 0 HZ1 LYS A 19 43.824 21.529 7.161 1.00 1.77 H new ATOM 0 HZ2 LYS A 19 42.252 21.641 7.794 1.00 1.77 H new ATOM 0 HZ3 LYS A 19 42.509 21.813 6.124 1.00 1.77 H new ATOM 303 N PHE A 20 38.480 28.539 7.655 1.00 0.16 N ATOM 304 CA PHE A 20 37.174 29.174 7.362 1.00 0.16 C ATOM 305 C PHE A 20 37.315 30.681 7.581 1.00 0.19 C ATOM 306 O PHE A 20 36.377 31.439 7.435 1.00 0.30 O ATOM 307 CB PHE A 20 36.128 28.598 8.305 1.00 0.14 C ATOM 308 CG PHE A 20 35.866 27.154 7.941 1.00 0.13 C ATOM 309 CD1 PHE A 20 36.827 26.181 8.240 1.00 0.13 C ATOM 310 CD2 PHE A 20 34.669 26.783 7.309 1.00 0.13 C ATOM 311 CE1 PHE A 20 36.597 24.842 7.912 1.00 0.12 C ATOM 312 CE2 PHE A 20 34.440 25.440 6.983 1.00 0.13 C ATOM 313 CZ PHE A 20 35.404 24.471 7.285 1.00 0.12 C ATOM 0 H PHE A 20 38.554 28.104 8.574 1.00 0.16 H new ATOM 0 HA PHE A 20 36.868 28.983 6.334 1.00 0.16 H new ATOM 0 HB2 PHE A 20 36.474 28.668 9.336 1.00 0.14 H new ATOM 0 HB3 PHE A 20 35.205 29.175 8.239 1.00 0.14 H new ATOM 0 HD1 PHE A 20 37.749 26.466 8.725 1.00 0.13 H new ATOM 0 HD2 PHE A 20 33.926 27.531 7.075 1.00 0.13 H new ATOM 0 HE1 PHE A 20 37.341 24.094 8.143 1.00 0.12 H new ATOM 0 HE2 PHE A 20 33.519 25.152 6.498 1.00 0.13 H new ATOM 0 HZ PHE A 20 35.226 23.436 7.033 1.00 0.12 H new ATOM 323 N ARG A 21 38.502 31.112 7.919 1.00 0.18 N ATOM 324 CA ARG A 21 38.753 32.567 8.140 1.00 0.21 C ATOM 325 C ARG A 21 37.709 33.170 9.089 1.00 0.18 C ATOM 326 O ARG A 21 37.235 34.267 8.874 1.00 0.19 O ATOM 327 CB ARG A 21 38.692 33.295 6.797 1.00 0.29 C ATOM 328 CG ARG A 21 39.780 32.747 5.872 1.00 0.65 C ATOM 329 CD ARG A 21 39.953 33.684 4.675 1.00 1.12 C ATOM 330 NE ARG A 21 38.710 33.673 3.853 1.00 1.93 N ATOM 331 CZ ARG A 21 38.513 34.601 2.957 1.00 2.67 C ATOM 332 NH1 ARG A 21 39.404 35.538 2.783 1.00 2.95 N ATOM 333 NH2 ARG A 21 37.426 34.591 2.235 1.00 3.64 N ATOM 0 H ARG A 21 39.316 30.512 8.053 1.00 0.18 H new ATOM 0 HA ARG A 21 39.738 32.684 8.592 1.00 0.21 H new ATOM 0 HB2 ARG A 21 37.711 33.160 6.342 1.00 0.29 H new ATOM 0 HB3 ARG A 21 38.830 34.366 6.945 1.00 0.29 H new ATOM 0 HG2 ARG A 21 40.721 32.655 6.414 1.00 0.65 H new ATOM 0 HG3 ARG A 21 39.511 31.748 5.529 1.00 0.65 H new ATOM 0 HD2 ARG A 21 40.165 34.696 5.019 1.00 1.12 H new ATOM 0 HD3 ARG A 21 40.804 33.368 4.072 1.00 1.12 H new ATOM 0 HE ARG A 21 38.014 32.941 3.991 1.00 1.93 H new ATOM 0 HH11 ARG A 21 40.254 35.545 3.347 1.00 2.95 H new ATOM 0 HH12 ARG A 21 39.251 36.264 2.083 1.00 2.95 H new ATOM 0 HH21 ARG A 21 36.730 33.858 2.371 1.00 3.64 H new ATOM 0 HH22 ARG A 21 37.272 35.316 1.535 1.00 3.64 H new ATOM 347 N TYR A 22 37.350 32.480 10.142 1.00 0.15 N ATOM 348 CA TYR A 22 36.344 33.051 11.091 1.00 0.13 C ATOM 349 C TYR A 22 37.070 34.000 12.080 1.00 0.14 C ATOM 350 O TYR A 22 38.238 33.800 12.351 1.00 0.15 O ATOM 351 CB TYR A 22 35.689 31.909 11.890 1.00 0.11 C ATOM 352 CG TYR A 22 34.537 31.275 11.118 1.00 0.11 C ATOM 353 CD1 TYR A 22 33.455 32.052 10.662 1.00 0.12 C ATOM 354 CD2 TYR A 22 34.549 29.894 10.868 1.00 0.11 C ATOM 355 CE1 TYR A 22 32.405 31.447 9.961 1.00 0.13 C ATOM 356 CE2 TYR A 22 33.496 29.295 10.168 1.00 0.12 C ATOM 357 CZ TYR A 22 32.425 30.071 9.714 1.00 0.13 C ATOM 358 OH TYR A 22 31.388 29.478 9.022 1.00 0.15 O ATOM 0 H TYR A 22 37.705 31.555 10.385 1.00 0.15 H new ATOM 0 HA TYR A 22 35.582 33.596 10.534 1.00 0.13 H new ATOM 0 HB2 TYR A 22 36.436 31.149 12.119 1.00 0.11 H new ATOM 0 HB3 TYR A 22 35.322 32.293 12.842 1.00 0.11 H new ATOM 0 HD1 TYR A 22 33.435 33.115 10.853 1.00 0.12 H new ATOM 0 HD2 TYR A 22 35.374 29.291 11.217 1.00 0.11 H new ATOM 0 HE1 TYR A 22 31.577 32.045 9.610 1.00 0.13 H new ATOM 0 HE2 TYR A 22 33.510 28.232 9.978 1.00 0.12 H new ATOM 0 HH TYR A 22 31.745 29.002 8.243 1.00 0.15 H new ATOM 368 N PRO A 23 36.368 34.988 12.620 1.00 0.14 N ATOM 369 CA PRO A 23 36.972 35.920 13.597 1.00 0.16 C ATOM 370 C PRO A 23 37.396 35.152 14.863 1.00 0.16 C ATOM 371 O PRO A 23 37.182 33.963 14.982 1.00 0.15 O ATOM 372 CB PRO A 23 35.862 36.947 13.915 1.00 0.17 C ATOM 373 CG PRO A 23 34.566 36.460 13.212 1.00 0.15 C ATOM 374 CD PRO A 23 34.950 35.267 12.308 1.00 0.14 C ATOM 0 HA PRO A 23 37.867 36.408 13.211 1.00 0.16 H new ATOM 0 HB2 PRO A 23 35.709 37.026 14.991 1.00 0.17 H new ATOM 0 HB3 PRO A 23 36.143 37.938 13.559 1.00 0.17 H new ATOM 0 HG2 PRO A 23 33.820 36.159 13.948 1.00 0.15 H new ATOM 0 HG3 PRO A 23 34.125 37.263 12.621 1.00 0.15 H new ATOM 0 HD2 PRO A 23 34.323 34.399 12.513 1.00 0.14 H new ATOM 0 HD3 PRO A 23 34.819 35.513 11.254 1.00 0.14 H new ATOM 382 N TRP A 24 38.007 35.832 15.797 1.00 0.18 N ATOM 383 CA TRP A 24 38.469 35.160 17.052 1.00 0.19 C ATOM 384 C TRP A 24 37.310 34.965 18.043 1.00 0.19 C ATOM 385 O TRP A 24 37.434 34.229 19.002 1.00 0.21 O ATOM 386 CB TRP A 24 39.552 36.019 17.709 1.00 0.21 C ATOM 387 CG TRP A 24 39.987 35.383 18.991 1.00 0.28 C ATOM 388 CD1 TRP A 24 39.609 35.787 20.226 1.00 0.34 C ATOM 389 CD2 TRP A 24 40.870 34.240 19.187 1.00 0.33 C ATOM 390 NE1 TRP A 24 40.205 34.966 21.167 1.00 0.42 N ATOM 391 CE2 TRP A 24 40.991 33.997 20.575 1.00 0.42 C ATOM 392 CE3 TRP A 24 41.571 33.400 18.303 1.00 0.35 C ATOM 393 CZ2 TRP A 24 41.780 32.957 21.070 1.00 0.50 C ATOM 394 CZ3 TRP A 24 42.366 32.352 18.797 1.00 0.45 C ATOM 395 CH2 TRP A 24 42.469 32.131 20.178 1.00 0.52 C ATOM 0 H TRP A 24 38.208 36.831 15.746 1.00 0.18 H new ATOM 0 HA TRP A 24 38.864 34.178 16.790 1.00 0.19 H new ATOM 0 HB2 TRP A 24 40.403 36.126 17.037 1.00 0.21 H new ATOM 0 HB3 TRP A 24 39.169 37.022 17.900 1.00 0.21 H new ATOM 0 HD1 TRP A 24 38.950 36.615 20.442 1.00 0.34 H new ATOM 0 HE1 TRP A 24 40.079 35.064 22.174 1.00 0.42 H new ATOM 0 HE3 TRP A 24 41.498 33.562 17.238 1.00 0.35 H new ATOM 0 HZ2 TRP A 24 41.857 32.792 22.135 1.00 0.50 H new ATOM 0 HZ3 TRP A 24 42.901 31.713 18.109 1.00 0.45 H new ATOM 0 HH2 TRP A 24 43.080 31.323 20.552 1.00 0.52 H new ATOM 406 N GLU A 25 36.199 35.623 17.849 1.00 0.18 N ATOM 407 CA GLU A 25 35.071 35.463 18.820 1.00 0.21 C ATOM 408 C GLU A 25 34.334 34.134 18.581 1.00 0.17 C ATOM 409 O GLU A 25 33.556 33.701 19.408 1.00 0.20 O ATOM 410 CB GLU A 25 34.090 36.643 18.674 1.00 0.29 C ATOM 411 CG GLU A 25 34.065 37.124 17.218 1.00 1.15 C ATOM 412 CD GLU A 25 32.785 37.925 16.959 1.00 1.55 C ATOM 413 OE1 GLU A 25 31.728 37.459 17.354 1.00 1.97 O ATOM 414 OE2 GLU A 25 32.884 38.989 16.372 1.00 2.18 O ATOM 0 H GLU A 25 36.021 36.258 17.071 1.00 0.18 H new ATOM 0 HA GLU A 25 35.478 35.453 19.831 1.00 0.21 H new ATOM 0 HB2 GLU A 25 33.090 36.336 18.982 1.00 0.29 H new ATOM 0 HB3 GLU A 25 34.390 37.460 19.331 1.00 0.29 H new ATOM 0 HG2 GLU A 25 34.939 37.742 17.014 1.00 1.15 H new ATOM 0 HG3 GLU A 25 34.114 36.270 16.542 1.00 1.15 H new ATOM 421 N LEU A 26 34.558 33.485 17.467 1.00 0.13 N ATOM 422 CA LEU A 26 33.849 32.191 17.199 1.00 0.11 C ATOM 423 C LEU A 26 34.717 31.007 17.622 1.00 0.10 C ATOM 424 O LEU A 26 34.614 29.930 17.069 1.00 0.11 O ATOM 425 CB LEU A 26 33.546 32.069 15.705 1.00 0.10 C ATOM 426 CG LEU A 26 32.948 33.375 15.177 1.00 0.10 C ATOM 427 CD1 LEU A 26 32.373 33.129 13.783 1.00 0.11 C ATOM 428 CD2 LEU A 26 31.826 33.858 16.105 1.00 0.12 C ATOM 0 H LEU A 26 35.197 33.791 16.733 1.00 0.13 H new ATOM 0 HA LEU A 26 32.922 32.182 17.772 1.00 0.11 H new ATOM 0 HB2 LEU A 26 34.460 31.833 15.160 1.00 0.10 H new ATOM 0 HB3 LEU A 26 32.851 31.247 15.534 1.00 0.10 H new ATOM 0 HG LEU A 26 33.728 34.136 15.136 1.00 0.10 H new ATOM 0 HD11 LEU A 26 31.944 34.054 13.398 1.00 0.11 H new ATOM 0 HD12 LEU A 26 33.167 32.792 13.116 1.00 0.11 H new ATOM 0 HD13 LEU A 26 31.597 32.365 13.839 1.00 0.11 H new ATOM 0 HD21 LEU A 26 31.409 34.788 15.718 1.00 0.12 H new ATOM 0 HD22 LEU A 26 31.043 33.101 16.153 1.00 0.12 H new ATOM 0 HD23 LEU A 26 32.228 34.028 17.104 1.00 0.12 H new ATOM 440 N MET A 27 35.568 31.182 18.592 1.00 0.12 N ATOM 441 CA MET A 27 36.421 30.044 19.023 1.00 0.13 C ATOM 442 C MET A 27 35.590 28.984 19.794 1.00 0.11 C ATOM 443 O MET A 27 35.848 27.807 19.636 1.00 0.13 O ATOM 444 CB MET A 27 37.593 30.557 19.887 1.00 0.18 C ATOM 445 CG MET A 27 38.730 31.050 18.982 1.00 0.19 C ATOM 446 SD MET A 27 39.619 29.632 18.289 1.00 1.17 S ATOM 447 CE MET A 27 40.360 29.025 19.827 1.00 0.31 C ATOM 0 H MET A 27 35.709 32.055 19.100 1.00 0.12 H new ATOM 0 HA MET A 27 36.827 29.562 18.134 1.00 0.13 H new ATOM 0 HB2 MET A 27 37.253 31.367 20.533 1.00 0.18 H new ATOM 0 HB3 MET A 27 37.953 29.760 20.537 1.00 0.18 H new ATOM 0 HG2 MET A 27 38.327 31.666 18.179 1.00 0.19 H new ATOM 0 HG3 MET A 27 39.415 31.678 19.552 1.00 0.19 H new ATOM 0 HE1 MET A 27 41.335 28.586 19.613 1.00 0.31 H new ATOM 0 HE2 MET A 27 40.481 29.854 20.525 1.00 0.31 H new ATOM 0 HE3 MET A 27 39.711 28.269 20.270 1.00 0.31 H new ATOM 457 N PRO A 28 34.619 29.392 20.608 1.00 0.10 N ATOM 458 CA PRO A 28 33.799 28.418 21.367 1.00 0.09 C ATOM 459 C PRO A 28 33.084 27.445 20.418 1.00 0.10 C ATOM 460 O PRO A 28 32.752 26.340 20.789 1.00 0.19 O ATOM 461 CB PRO A 28 32.793 29.283 22.159 1.00 0.09 C ATOM 462 CG PRO A 28 33.295 30.746 22.062 1.00 0.11 C ATOM 463 CD PRO A 28 34.254 30.807 20.858 1.00 0.11 C ATOM 0 HA PRO A 28 34.402 27.794 22.027 1.00 0.09 H new ATOM 0 HB2 PRO A 28 31.790 29.189 21.743 1.00 0.09 H new ATOM 0 HB3 PRO A 28 32.739 28.960 23.199 1.00 0.09 H new ATOM 0 HG2 PRO A 28 32.460 31.433 21.927 1.00 0.11 H new ATOM 0 HG3 PRO A 28 33.806 31.041 22.979 1.00 0.11 H new ATOM 0 HD2 PRO A 28 33.772 31.253 19.988 1.00 0.11 H new ATOM 0 HD3 PRO A 28 35.133 31.411 21.080 1.00 0.11 H new ATOM 471 N LEU A 29 32.845 27.838 19.198 1.00 0.11 N ATOM 472 CA LEU A 29 32.160 26.916 18.248 1.00 0.09 C ATOM 473 C LEU A 29 33.200 25.978 17.644 1.00 0.10 C ATOM 474 O LEU A 29 33.032 24.775 17.636 1.00 0.19 O ATOM 475 CB LEU A 29 31.467 27.726 17.151 1.00 0.08 C ATOM 476 CG LEU A 29 30.561 28.787 17.791 1.00 0.08 C ATOM 477 CD1 LEU A 29 30.019 29.712 16.701 1.00 0.09 C ATOM 478 CD2 LEU A 29 29.386 28.108 18.510 1.00 0.08 C ATOM 0 H LEU A 29 33.092 28.752 18.819 1.00 0.11 H new ATOM 0 HA LEU A 29 31.404 26.330 18.771 1.00 0.09 H new ATOM 0 HB2 LEU A 29 32.210 28.204 16.513 1.00 0.08 H new ATOM 0 HB3 LEU A 29 30.878 27.066 16.514 1.00 0.08 H new ATOM 0 HG LEU A 29 31.139 29.364 18.513 1.00 0.08 H new ATOM 0 HD11 LEU A 29 29.375 30.467 17.152 1.00 0.09 H new ATOM 0 HD12 LEU A 29 30.850 30.201 16.192 1.00 0.09 H new ATOM 0 HD13 LEU A 29 29.445 29.129 15.981 1.00 0.09 H new ATOM 0 HD21 LEU A 29 28.748 28.868 18.962 1.00 0.08 H new ATOM 0 HD22 LEU A 29 28.807 27.527 17.792 1.00 0.08 H new ATOM 0 HD23 LEU A 29 29.768 27.447 19.287 1.00 0.08 H new ATOM 490 N MET A 30 34.291 26.508 17.169 1.00 0.10 N ATOM 491 CA MET A 30 35.346 25.628 16.608 1.00 0.12 C ATOM 492 C MET A 30 35.772 24.660 17.710 1.00 0.10 C ATOM 493 O MET A 30 36.337 23.614 17.461 1.00 0.11 O ATOM 494 CB MET A 30 36.544 26.478 16.177 1.00 0.16 C ATOM 495 CG MET A 30 36.250 27.130 14.826 1.00 0.19 C ATOM 496 SD MET A 30 34.774 28.172 14.969 1.00 1.16 S ATOM 497 CE MET A 30 33.965 27.676 13.426 1.00 0.20 C ATOM 0 H MET A 30 34.495 27.507 17.146 1.00 0.10 H new ATOM 0 HA MET A 30 34.974 25.082 15.741 1.00 0.12 H new ATOM 0 HB2 MET A 30 36.747 27.244 16.925 1.00 0.16 H new ATOM 0 HB3 MET A 30 37.437 25.857 16.106 1.00 0.16 H new ATOM 0 HG2 MET A 30 37.102 27.729 14.506 1.00 0.19 H new ATOM 0 HG3 MET A 30 36.096 26.364 14.066 1.00 0.19 H new ATOM 0 HE1 MET A 30 33.314 28.480 13.082 1.00 0.20 H new ATOM 0 HE2 MET A 30 34.721 27.472 12.668 1.00 0.20 H new ATOM 0 HE3 MET A 30 33.372 26.778 13.598 1.00 0.20 H new ATOM 507 N TYR A 31 35.489 25.018 18.933 1.00 0.09 N ATOM 508 CA TYR A 31 35.852 24.150 20.086 1.00 0.09 C ATOM 509 C TYR A 31 34.871 22.980 20.163 1.00 0.09 C ATOM 510 O TYR A 31 35.260 21.829 20.197 1.00 0.10 O ATOM 511 CB TYR A 31 35.767 24.983 21.374 1.00 0.09 C ATOM 512 CG TYR A 31 35.863 24.091 22.591 1.00 0.10 C ATOM 513 CD1 TYR A 31 37.113 23.782 23.136 1.00 0.11 C ATOM 514 CD2 TYR A 31 34.697 23.579 23.175 1.00 0.10 C ATOM 515 CE1 TYR A 31 37.200 22.958 24.265 1.00 0.12 C ATOM 516 CE2 TYR A 31 34.783 22.757 24.305 1.00 0.11 C ATOM 517 CZ TYR A 31 36.035 22.445 24.850 1.00 0.12 C ATOM 518 OH TYR A 31 36.121 21.634 25.964 1.00 0.14 O ATOM 0 H TYR A 31 35.016 25.886 19.184 1.00 0.09 H new ATOM 0 HA TYR A 31 36.864 23.763 19.963 1.00 0.09 H new ATOM 0 HB2 TYR A 31 36.571 25.719 21.391 1.00 0.09 H new ATOM 0 HB3 TYR A 31 34.828 25.536 21.395 1.00 0.09 H new ATOM 0 HD1 TYR A 31 38.011 24.179 22.686 1.00 0.11 H new ATOM 0 HD2 TYR A 31 33.732 23.818 22.754 1.00 0.10 H new ATOM 0 HE1 TYR A 31 38.166 22.718 24.685 1.00 0.12 H new ATOM 0 HE2 TYR A 31 33.884 22.364 24.756 1.00 0.11 H new ATOM 0 HH TYR A 31 35.221 21.366 26.244 1.00 0.14 H new ATOM 528 N VAL A 32 33.601 23.268 20.199 1.00 0.09 N ATOM 529 CA VAL A 32 32.592 22.178 20.281 1.00 0.09 C ATOM 530 C VAL A 32 32.693 21.284 19.045 1.00 0.09 C ATOM 531 O VAL A 32 32.765 20.076 19.151 1.00 0.12 O ATOM 532 CB VAL A 32 31.188 22.785 20.358 1.00 0.09 C ATOM 533 CG1 VAL A 32 30.142 21.666 20.286 1.00 0.09 C ATOM 534 CG2 VAL A 32 31.032 23.560 21.674 1.00 0.12 C ATOM 0 H VAL A 32 33.218 24.213 20.175 1.00 0.09 H new ATOM 0 HA VAL A 32 32.781 21.581 21.173 1.00 0.09 H new ATOM 0 HB VAL A 32 31.042 23.469 19.522 1.00 0.09 H new ATOM 0 HG11 VAL A 32 29.143 22.098 20.341 1.00 0.09 H new ATOM 0 HG12 VAL A 32 30.252 21.125 19.346 1.00 0.09 H new ATOM 0 HG13 VAL A 32 30.286 20.979 21.120 1.00 0.09 H new ATOM 0 HG21 VAL A 32 30.032 23.991 21.726 1.00 0.12 H new ATOM 0 HG22 VAL A 32 31.179 22.882 22.515 1.00 0.12 H new ATOM 0 HG23 VAL A 32 31.774 24.358 21.717 1.00 0.12 H new ATOM 544 N ILE A 33 32.690 21.861 17.872 1.00 0.09 N ATOM 545 CA ILE A 33 32.778 21.033 16.638 1.00 0.09 C ATOM 546 C ILE A 33 33.910 20.001 16.799 1.00 0.10 C ATOM 547 O ILE A 33 33.667 18.811 16.819 1.00 0.11 O ATOM 548 CB ILE A 33 33.009 21.965 15.437 1.00 0.09 C ATOM 549 CG1 ILE A 33 31.778 22.875 15.301 1.00 0.10 C ATOM 550 CG2 ILE A 33 33.182 21.154 14.148 1.00 0.10 C ATOM 551 CD1 ILE A 33 31.994 23.927 14.208 1.00 0.09 C ATOM 0 H ILE A 33 32.631 22.867 17.717 1.00 0.09 H new ATOM 0 HA ILE A 33 31.853 20.482 16.467 1.00 0.09 H new ATOM 0 HB ILE A 33 33.914 22.551 15.597 1.00 0.09 H new ATOM 0 HG12 ILE A 33 30.900 22.273 15.064 1.00 0.10 H new ATOM 0 HG13 ILE A 33 31.579 23.369 16.252 1.00 0.10 H new ATOM 0 HG21 ILE A 33 33.344 21.832 13.310 1.00 0.10 H new ATOM 0 HG22 ILE A 33 34.040 20.490 14.249 1.00 0.10 H new ATOM 0 HG23 ILE A 33 32.285 20.562 13.967 1.00 0.10 H new ATOM 0 HD11 ILE A 33 31.109 24.559 14.131 1.00 0.09 H new ATOM 0 HD12 ILE A 33 32.858 24.542 14.460 1.00 0.09 H new ATOM 0 HD13 ILE A 33 32.169 23.430 13.254 1.00 0.09 H new ATOM 563 N LEU A 34 35.135 20.436 16.939 1.00 0.10 N ATOM 564 CA LEU A 34 36.254 19.461 17.128 1.00 0.11 C ATOM 565 C LEU A 34 35.903 18.535 18.306 1.00 0.13 C ATOM 566 O LEU A 34 36.054 17.333 18.226 1.00 0.20 O ATOM 567 CB LEU A 34 37.554 20.259 17.438 1.00 0.09 C ATOM 568 CG LEU A 34 38.547 20.376 16.225 1.00 0.09 C ATOM 569 CD1 LEU A 34 37.863 20.217 14.851 1.00 0.10 C ATOM 570 CD2 LEU A 34 39.234 21.748 16.281 1.00 0.10 C ATOM 0 H LEU A 34 35.410 21.418 16.931 1.00 0.10 H new ATOM 0 HA LEU A 34 36.405 18.859 16.232 1.00 0.11 H new ATOM 0 HB2 LEU A 34 37.281 21.262 17.767 1.00 0.09 H new ATOM 0 HB3 LEU A 34 38.070 19.780 18.270 1.00 0.09 H new ATOM 0 HG LEU A 34 39.263 19.559 16.319 1.00 0.09 H new ATOM 0 HD11 LEU A 34 38.608 20.309 14.061 1.00 0.10 H new ATOM 0 HD12 LEU A 34 37.390 19.237 14.791 1.00 0.10 H new ATOM 0 HD13 LEU A 34 37.107 20.993 14.729 1.00 0.10 H new ATOM 0 HD21 LEU A 34 39.926 21.843 15.444 1.00 0.10 H new ATOM 0 HD22 LEU A 34 38.482 22.534 16.220 1.00 0.10 H new ATOM 0 HD23 LEU A 34 39.782 21.842 17.218 1.00 0.10 H new ATOM 582 N LYS A 35 35.445 19.084 19.394 1.00 0.12 N ATOM 583 CA LYS A 35 35.097 18.233 20.568 1.00 0.15 C ATOM 584 C LYS A 35 34.174 17.090 20.135 1.00 0.21 C ATOM 585 O LYS A 35 34.264 15.987 20.635 1.00 0.29 O ATOM 586 CB LYS A 35 34.387 19.086 21.621 1.00 0.13 C ATOM 587 CG LYS A 35 34.349 18.333 22.953 1.00 0.17 C ATOM 588 CD LYS A 35 33.502 19.118 23.957 1.00 0.26 C ATOM 589 CE LYS A 35 33.670 18.515 25.353 1.00 0.80 C ATOM 590 NZ LYS A 35 32.966 19.369 26.350 1.00 1.49 N ATOM 0 H LYS A 35 35.296 20.085 19.523 1.00 0.12 H new ATOM 0 HA LYS A 35 36.012 17.814 20.987 1.00 0.15 H new ATOM 0 HB2 LYS A 35 34.906 20.036 21.744 1.00 0.13 H new ATOM 0 HB3 LYS A 35 33.373 19.317 21.293 1.00 0.13 H new ATOM 0 HG2 LYS A 35 33.931 17.337 22.808 1.00 0.17 H new ATOM 0 HG3 LYS A 35 35.360 18.202 23.338 1.00 0.17 H new ATOM 0 HD2 LYS A 35 33.805 20.165 23.963 1.00 0.26 H new ATOM 0 HD3 LYS A 35 32.453 19.091 23.662 1.00 0.26 H new ATOM 0 HE2 LYS A 35 33.266 17.503 25.375 1.00 0.80 H new ATOM 0 HE3 LYS A 35 34.728 18.441 25.604 1.00 0.80 H new ATOM 0 HZ1 LYS A 35 33.080 18.960 27.299 1.00 1.49 H new ATOM 0 HZ2 LYS A 35 33.372 20.327 26.335 1.00 1.49 H new ATOM 0 HZ3 LYS A 35 31.955 19.418 26.113 1.00 1.49 H new ATOM 604 N ASP A 36 33.279 17.343 19.217 1.00 0.24 N ATOM 605 CA ASP A 36 32.346 16.269 18.765 1.00 0.32 C ATOM 606 C ASP A 36 32.987 15.458 17.635 1.00 0.26 C ATOM 607 O ASP A 36 32.856 14.252 17.572 1.00 0.36 O ATOM 608 CB ASP A 36 31.047 16.904 18.265 1.00 0.42 C ATOM 609 CG ASP A 36 30.647 18.046 19.199 1.00 0.84 C ATOM 610 OD1 ASP A 36 30.749 17.865 20.401 1.00 1.42 O ATOM 611 OD2 ASP A 36 30.245 19.081 18.697 1.00 1.56 O ATOM 0 H ASP A 36 33.154 18.247 18.761 1.00 0.24 H new ATOM 0 HA ASP A 36 32.132 15.604 19.602 1.00 0.32 H new ATOM 0 HB2 ASP A 36 31.180 17.279 17.250 1.00 0.42 H new ATOM 0 HB3 ASP A 36 30.255 16.156 18.227 1.00 0.42 H new ATOM 616 N ALA A 37 33.669 16.111 16.737 1.00 0.18 N ATOM 617 CA ALA A 37 34.304 15.383 15.605 1.00 0.17 C ATOM 618 C ALA A 37 35.577 14.690 16.077 1.00 0.16 C ATOM 619 O ALA A 37 36.546 14.602 15.349 1.00 0.21 O ATOM 620 CB ALA A 37 34.672 16.385 14.518 1.00 0.19 C ATOM 0 H ALA A 37 33.814 17.121 16.738 1.00 0.18 H new ATOM 0 HA ALA A 37 33.606 14.639 15.222 1.00 0.17 H new ATOM 0 HB1 ALA A 37 35.138 15.862 13.683 1.00 0.19 H new ATOM 0 HB2 ALA A 37 33.772 16.892 14.171 1.00 0.19 H new ATOM 0 HB3 ALA A 37 35.370 17.119 14.921 1.00 0.19 H new ATOM 626 N ASP A 38 35.604 14.207 17.283 1.00 0.18 N ATOM 627 CA ASP A 38 36.841 13.543 17.764 1.00 0.20 C ATOM 628 C ASP A 38 38.008 14.514 17.563 1.00 0.18 C ATOM 629 O ASP A 38 39.162 14.138 17.555 1.00 0.22 O ATOM 630 CB ASP A 38 37.073 12.260 16.952 1.00 0.25 C ATOM 631 CG ASP A 38 37.952 11.291 17.748 1.00 1.00 C ATOM 632 OD1 ASP A 38 39.158 11.474 17.739 1.00 1.65 O ATOM 633 OD2 ASP A 38 37.404 10.385 18.353 1.00 1.82 O ATOM 0 H ASP A 38 34.833 14.242 17.950 1.00 0.18 H new ATOM 0 HA ASP A 38 36.756 13.279 18.818 1.00 0.20 H new ATOM 0 HB2 ASP A 38 36.118 11.790 16.718 1.00 0.25 H new ATOM 0 HB3 ASP A 38 37.551 12.502 16.002 1.00 0.25 H new ATOM 638 N ALA A 39 37.686 15.765 17.390 1.00 0.14 N ATOM 639 CA ALA A 39 38.724 16.804 17.173 1.00 0.14 C ATOM 640 C ALA A 39 39.485 16.519 15.879 1.00 0.14 C ATOM 641 O ALA A 39 40.529 17.087 15.626 1.00 0.16 O ATOM 642 CB ALA A 39 39.693 16.836 18.349 1.00 0.16 C ATOM 0 H ALA A 39 36.728 16.115 17.390 1.00 0.14 H new ATOM 0 HA ALA A 39 38.236 17.775 17.093 1.00 0.14 H new ATOM 0 HB1 ALA A 39 40.449 17.602 18.177 1.00 0.16 H new ATOM 0 HB2 ALA A 39 39.147 17.064 19.264 1.00 0.16 H new ATOM 0 HB3 ALA A 39 40.177 15.864 18.448 1.00 0.16 H new ATOM 648 N ASN A 40 38.967 15.655 15.050 1.00 0.14 N ATOM 649 CA ASN A 40 39.659 15.352 13.765 1.00 0.16 C ATOM 650 C ASN A 40 39.283 16.438 12.756 1.00 0.14 C ATOM 651 O ASN A 40 38.228 16.402 12.154 1.00 0.15 O ATOM 652 CB ASN A 40 39.213 13.972 13.256 1.00 0.20 C ATOM 653 CG ASN A 40 40.280 13.389 12.325 1.00 0.78 C ATOM 654 OD1 ASN A 40 40.766 12.299 12.546 1.00 1.77 O ATOM 655 ND2 ASN A 40 40.666 14.077 11.286 1.00 1.19 N ATOM 0 H ASN A 40 38.097 15.147 15.206 1.00 0.14 H new ATOM 0 HA ASN A 40 40.740 15.335 13.904 1.00 0.16 H new ATOM 0 HB2 ASN A 40 39.047 13.300 14.098 1.00 0.20 H new ATOM 0 HB3 ASN A 40 38.264 14.059 12.726 1.00 0.20 H new ATOM 0 HD21 ASN A 40 41.376 13.699 10.659 1.00 1.19 H new ATOM 0 HD22 ASN A 40 40.257 14.993 11.100 1.00 1.19 H new ATOM 662 N ILE A 41 40.126 17.417 12.588 1.00 0.13 N ATOM 663 CA ILE A 41 39.809 18.523 11.643 1.00 0.12 C ATOM 664 C ILE A 41 39.262 17.968 10.324 1.00 0.13 C ATOM 665 O ILE A 41 38.250 18.426 9.833 1.00 0.14 O ATOM 666 CB ILE A 41 41.064 19.364 11.400 1.00 0.13 C ATOM 667 CG1 ILE A 41 41.381 20.123 12.702 1.00 0.13 C ATOM 668 CG2 ILE A 41 40.803 20.341 10.240 1.00 0.15 C ATOM 669 CD1 ILE A 41 42.621 21.007 12.544 1.00 0.16 C ATOM 0 H ILE A 41 41.023 17.499 13.066 1.00 0.13 H new ATOM 0 HA ILE A 41 39.038 19.156 12.082 1.00 0.12 H new ATOM 0 HB ILE A 41 41.914 18.737 11.129 1.00 0.13 H new ATOM 0 HG12 ILE A 41 40.527 20.739 12.984 1.00 0.13 H new ATOM 0 HG13 ILE A 41 41.541 19.410 13.511 1.00 0.13 H new ATOM 0 HG21 ILE A 41 41.695 20.942 10.063 1.00 0.15 H new ATOM 0 HG22 ILE A 41 40.560 19.779 9.338 1.00 0.15 H new ATOM 0 HG23 ILE A 41 39.969 20.995 10.496 1.00 0.15 H new ATOM 0 HD11 ILE A 41 42.817 21.529 13.481 1.00 0.16 H new ATOM 0 HD12 ILE A 41 43.480 20.387 12.287 1.00 0.16 H new ATOM 0 HD13 ILE A 41 42.450 21.736 11.752 1.00 0.16 H new ATOM 681 N GLU A 42 39.905 16.992 9.742 1.00 0.15 N ATOM 682 CA GLU A 42 39.387 16.436 8.458 1.00 0.16 C ATOM 683 C GLU A 42 37.894 16.148 8.606 1.00 0.16 C ATOM 684 O GLU A 42 37.093 16.528 7.776 1.00 0.19 O ATOM 685 CB GLU A 42 40.131 15.144 8.113 1.00 0.19 C ATOM 686 CG GLU A 42 41.563 15.479 7.693 1.00 0.26 C ATOM 687 CD GLU A 42 42.403 14.201 7.676 1.00 1.04 C ATOM 688 OE1 GLU A 42 42.566 13.608 8.730 1.00 1.80 O ATOM 689 OE2 GLU A 42 42.869 13.836 6.609 1.00 1.67 O ATOM 0 H GLU A 42 40.758 16.559 10.095 1.00 0.15 H new ATOM 0 HA GLU A 42 39.544 17.158 7.657 1.00 0.16 H new ATOM 0 HB2 GLU A 42 40.140 14.475 8.974 1.00 0.19 H new ATOM 0 HB3 GLU A 42 39.617 14.620 7.307 1.00 0.19 H new ATOM 0 HG2 GLU A 42 41.565 15.941 6.706 1.00 0.26 H new ATOM 0 HG3 GLU A 42 41.996 16.202 8.384 1.00 0.26 H new ATOM 696 N GLU A 43 37.513 15.497 9.669 1.00 0.15 N ATOM 697 CA GLU A 43 36.070 15.205 9.880 1.00 0.16 C ATOM 698 C GLU A 43 35.333 16.522 10.122 1.00 0.15 C ATOM 699 O GLU A 43 34.458 16.901 9.372 1.00 0.21 O ATOM 700 CB GLU A 43 35.896 14.296 11.098 1.00 0.18 C ATOM 701 CG GLU A 43 34.421 13.917 11.248 1.00 0.33 C ATOM 702 CD GLU A 43 34.291 12.728 12.203 1.00 1.21 C ATOM 703 OE1 GLU A 43 34.318 12.951 13.402 1.00 1.95 O ATOM 704 OE2 GLU A 43 34.166 11.616 11.719 1.00 1.84 O ATOM 0 H GLU A 43 38.138 15.155 10.399 1.00 0.15 H new ATOM 0 HA GLU A 43 35.665 14.703 9.001 1.00 0.16 H new ATOM 0 HB2 GLU A 43 36.503 13.398 10.984 1.00 0.18 H new ATOM 0 HB3 GLU A 43 36.245 14.804 11.997 1.00 0.18 H new ATOM 0 HG2 GLU A 43 33.854 14.766 11.629 1.00 0.33 H new ATOM 0 HG3 GLU A 43 34.000 13.663 10.275 1.00 0.33 H new ATOM 711 N ALA A 44 35.683 17.224 11.166 1.00 0.13 N ATOM 712 CA ALA A 44 35.001 18.517 11.455 1.00 0.14 C ATOM 713 C ALA A 44 34.983 19.387 10.197 1.00 0.16 C ATOM 714 O ALA A 44 33.943 19.837 9.758 1.00 0.20 O ATOM 715 CB ALA A 44 35.743 19.255 12.573 1.00 0.14 C ATOM 0 H ALA A 44 36.410 16.958 11.830 1.00 0.13 H new ATOM 0 HA ALA A 44 33.977 18.316 11.770 1.00 0.14 H new ATOM 0 HB1 ALA A 44 35.241 20.200 12.781 1.00 0.14 H new ATOM 0 HB2 ALA A 44 35.748 18.641 13.473 1.00 0.14 H new ATOM 0 HB3 ALA A 44 36.769 19.450 12.261 1.00 0.14 H new ATOM 721 N SER A 45 36.123 19.635 9.618 1.00 0.16 N ATOM 722 CA SER A 45 36.163 20.485 8.396 1.00 0.21 C ATOM 723 C SER A 45 35.136 19.971 7.387 1.00 0.20 C ATOM 724 O SER A 45 34.503 20.737 6.688 1.00 0.32 O ATOM 725 CB SER A 45 37.558 20.431 7.778 1.00 0.26 C ATOM 726 OG SER A 45 37.517 21.000 6.476 1.00 1.01 O ATOM 0 H SER A 45 37.027 19.287 9.937 1.00 0.16 H new ATOM 0 HA SER A 45 35.928 21.515 8.663 1.00 0.21 H new ATOM 0 HB2 SER A 45 38.266 20.975 8.403 1.00 0.26 H new ATOM 0 HB3 SER A 45 37.906 19.399 7.726 1.00 0.26 H new ATOM 0 HG SER A 45 38.411 20.968 6.077 1.00 1.01 H new ATOM 732 N ARG A 46 34.962 18.681 7.307 1.00 0.18 N ATOM 733 CA ARG A 46 33.971 18.127 6.345 1.00 0.20 C ATOM 734 C ARG A 46 32.557 18.394 6.869 1.00 0.16 C ATOM 735 O ARG A 46 31.606 18.439 6.113 1.00 0.22 O ATOM 736 CB ARG A 46 34.199 16.619 6.181 1.00 0.23 C ATOM 737 CG ARG A 46 35.496 16.382 5.382 1.00 0.85 C ATOM 738 CD ARG A 46 36.075 14.984 5.643 1.00 1.14 C ATOM 739 NE ARG A 46 35.380 13.985 4.759 1.00 1.59 N ATOM 740 CZ ARG A 46 34.161 13.590 4.984 1.00 2.17 C ATOM 741 NH1 ARG A 46 33.567 13.898 6.103 1.00 2.66 N ATOM 742 NH2 ARG A 46 33.552 12.834 4.113 1.00 2.87 N ATOM 0 H ARG A 46 35.462 17.989 7.865 1.00 0.18 H new ATOM 0 HA ARG A 46 34.091 18.608 5.374 1.00 0.20 H new ATOM 0 HB2 ARG A 46 34.269 16.142 7.159 1.00 0.23 H new ATOM 0 HB3 ARG A 46 33.353 16.166 5.665 1.00 0.23 H new ATOM 0 HG2 ARG A 46 35.294 16.500 4.317 1.00 0.85 H new ATOM 0 HG3 ARG A 46 36.233 17.138 5.652 1.00 0.85 H new ATOM 0 HD2 ARG A 46 37.147 14.979 5.444 1.00 1.14 H new ATOM 0 HD3 ARG A 46 35.944 14.713 6.691 1.00 1.14 H new ATOM 0 HE ARG A 46 35.881 13.604 3.956 1.00 1.59 H new ATOM 0 HH11 ARG A 46 34.058 14.451 6.806 1.00 2.66 H new ATOM 0 HH12 ARG A 46 32.611 13.586 6.276 1.00 2.66 H new ATOM 0 HH21 ARG A 46 34.031 12.554 3.257 1.00 2.87 H new ATOM 0 HH22 ARG A 46 32.596 12.523 4.287 1.00 2.87 H new ATOM 756 N ARG A 47 32.410 18.590 8.154 1.00 0.13 N ATOM 757 CA ARG A 47 31.055 18.875 8.711 1.00 0.13 C ATOM 758 C ARG A 47 30.693 20.324 8.392 1.00 0.11 C ATOM 759 O ARG A 47 29.718 20.603 7.722 1.00 0.13 O ATOM 760 CB ARG A 47 31.056 18.689 10.232 1.00 0.18 C ATOM 761 CG ARG A 47 31.372 17.231 10.587 1.00 0.49 C ATOM 762 CD ARG A 47 30.906 16.934 12.015 1.00 0.62 C ATOM 763 NE ARG A 47 31.667 17.779 12.976 1.00 0.81 N ATOM 764 CZ ARG A 47 31.258 17.892 14.209 1.00 1.20 C ATOM 765 NH1 ARG A 47 30.167 17.291 14.590 1.00 1.99 N ATOM 766 NH2 ARG A 47 31.940 18.607 15.059 1.00 1.63 N ATOM 0 H ARG A 47 33.166 18.565 8.838 1.00 0.13 H new ATOM 0 HA ARG A 47 30.332 18.190 8.269 1.00 0.13 H new ATOM 0 HB2 ARG A 47 31.795 19.350 10.686 1.00 0.18 H new ATOM 0 HB3 ARG A 47 30.085 18.968 10.640 1.00 0.18 H new ATOM 0 HG2 ARG A 47 30.876 16.560 9.886 1.00 0.49 H new ATOM 0 HG3 ARG A 47 32.443 17.049 10.499 1.00 0.49 H new ATOM 0 HD2 ARG A 47 29.838 17.132 12.108 1.00 0.62 H new ATOM 0 HD3 ARG A 47 31.056 15.879 12.245 1.00 0.62 H new ATOM 0 HE ARG A 47 32.508 18.269 12.670 1.00 0.81 H new ATOM 0 HH11 ARG A 47 29.633 16.732 13.924 1.00 1.99 H new ATOM 0 HH12 ARG A 47 29.846 17.379 15.554 1.00 1.99 H new ATOM 0 HH21 ARG A 47 32.794 19.078 14.760 1.00 1.63 H new ATOM 0 HH22 ARG A 47 31.620 18.695 16.023 1.00 1.63 H new ATOM 780 N ILE A 48 31.485 21.247 8.864 1.00 0.10 N ATOM 781 CA ILE A 48 31.212 22.687 8.591 1.00 0.10 C ATOM 782 C ILE A 48 30.931 22.866 7.101 1.00 0.11 C ATOM 783 O ILE A 48 29.876 23.320 6.709 1.00 0.13 O ATOM 784 CB ILE A 48 32.429 23.516 9.000 1.00 0.10 C ATOM 785 CG1 ILE A 48 32.830 23.130 10.428 1.00 0.09 C ATOM 786 CG2 ILE A 48 32.066 25.000 8.945 1.00 0.11 C ATOM 787 CD1 ILE A 48 33.945 24.050 10.927 1.00 0.10 C ATOM 0 H ILE A 48 32.314 21.065 9.430 1.00 0.10 H new ATOM 0 HA ILE A 48 30.346 23.020 9.163 1.00 0.10 H new ATOM 0 HB ILE A 48 33.262 23.326 8.323 1.00 0.10 H new ATOM 0 HG12 ILE A 48 31.966 23.201 11.089 1.00 0.09 H new ATOM 0 HG13 ILE A 48 33.165 22.093 10.452 1.00 0.09 H new ATOM 0 HG21 ILE A 48 32.930 25.597 9.236 1.00 0.11 H new ATOM 0 HG22 ILE A 48 31.767 25.264 7.931 1.00 0.11 H new ATOM 0 HG23 ILE A 48 31.241 25.198 9.629 1.00 0.11 H new ATOM 0 HD11 ILE A 48 34.223 23.767 11.942 1.00 0.10 H new ATOM 0 HD12 ILE A 48 34.813 23.957 10.274 1.00 0.10 H new ATOM 0 HD13 ILE A 48 33.595 25.082 10.920 1.00 0.10 H new ATOM 799 N GLU A 49 31.860 22.491 6.265 1.00 0.11 N ATOM 800 CA GLU A 49 31.638 22.616 4.795 1.00 0.12 C ATOM 801 C GLU A 49 30.272 22.032 4.455 1.00 0.12 C ATOM 802 O GLU A 49 29.389 22.715 3.977 1.00 0.13 O ATOM 803 CB GLU A 49 32.707 21.810 4.064 1.00 0.13 C ATOM 804 CG GLU A 49 34.023 22.594 4.032 1.00 0.15 C ATOM 805 CD GLU A 49 33.956 23.670 2.946 1.00 0.17 C ATOM 806 OE1 GLU A 49 33.895 23.307 1.783 1.00 1.08 O ATOM 807 OE2 GLU A 49 33.966 24.838 3.297 1.00 1.09 O ATOM 0 H GLU A 49 32.764 22.103 6.536 1.00 0.11 H new ATOM 0 HA GLU A 49 31.687 23.663 4.497 1.00 0.12 H new ATOM 0 HB2 GLU A 49 32.857 20.852 4.563 1.00 0.13 H new ATOM 0 HB3 GLU A 49 32.379 21.592 3.048 1.00 0.13 H new ATOM 0 HG2 GLU A 49 34.207 23.054 5.003 1.00 0.15 H new ATOM 0 HG3 GLU A 49 34.856 21.918 3.837 1.00 0.15 H new ATOM 814 N GLU A 50 30.086 20.770 4.729 1.00 0.12 N ATOM 815 CA GLU A 50 28.770 20.139 4.456 1.00 0.13 C ATOM 816 C GLU A 50 27.714 20.995 5.134 1.00 0.12 C ATOM 817 O GLU A 50 26.557 20.972 4.790 1.00 0.12 O ATOM 818 CB GLU A 50 28.743 18.721 5.033 1.00 0.14 C ATOM 819 CG GLU A 50 27.357 18.110 4.820 1.00 0.17 C ATOM 820 CD GLU A 50 27.393 16.624 5.181 1.00 1.15 C ATOM 821 OE1 GLU A 50 28.464 16.043 5.111 1.00 2.03 O ATOM 822 OE2 GLU A 50 26.349 16.091 5.520 1.00 1.74 O ATOM 0 H GLU A 50 30.790 20.151 5.130 1.00 0.12 H new ATOM 0 HA GLU A 50 28.585 20.073 3.384 1.00 0.13 H new ATOM 0 HB2 GLU A 50 29.502 18.106 4.549 1.00 0.14 H new ATOM 0 HB3 GLU A 50 28.982 18.745 6.096 1.00 0.14 H new ATOM 0 HG2 GLU A 50 26.621 18.627 5.436 1.00 0.17 H new ATOM 0 HG3 GLU A 50 27.048 18.236 3.782 1.00 0.17 H new ATOM 829 N GLY A 51 28.133 21.771 6.092 1.00 0.11 N ATOM 830 CA GLY A 51 27.178 22.670 6.804 1.00 0.10 C ATOM 831 C GLY A 51 27.011 23.947 5.979 1.00 0.10 C ATOM 832 O GLY A 51 25.916 24.340 5.629 1.00 0.11 O ATOM 0 H GLY A 51 29.099 21.823 6.416 1.00 0.11 H new ATOM 0 HA2 GLY A 51 26.216 22.174 6.935 1.00 0.10 H new ATOM 0 HA3 GLY A 51 27.552 22.908 7.800 1.00 0.10 H new ATOM 836 N GLN A 52 28.103 24.583 5.650 1.00 0.10 N ATOM 837 CA GLN A 52 28.045 25.826 4.827 1.00 0.12 C ATOM 838 C GLN A 52 27.171 25.558 3.611 1.00 0.12 C ATOM 839 O GLN A 52 26.294 26.327 3.271 1.00 0.13 O ATOM 840 CB GLN A 52 29.464 26.186 4.366 1.00 0.14 C ATOM 841 CG GLN A 52 30.404 26.301 5.585 1.00 0.19 C ATOM 842 CD GLN A 52 30.406 27.734 6.123 1.00 0.42 C ATOM 843 OE1 GLN A 52 31.356 28.160 6.750 1.00 0.95 O ATOM 844 NE2 GLN A 52 29.378 28.497 5.902 1.00 0.39 N ATOM 0 H GLN A 52 29.043 24.291 5.919 1.00 0.10 H new ATOM 0 HA GLN A 52 27.632 26.649 5.409 1.00 0.12 H new ATOM 0 HB2 GLN A 52 29.836 25.425 3.680 1.00 0.14 H new ATOM 0 HB3 GLN A 52 29.449 27.128 3.818 1.00 0.14 H new ATOM 0 HG2 GLN A 52 30.082 25.613 6.367 1.00 0.19 H new ATOM 0 HG3 GLN A 52 31.416 26.011 5.301 1.00 0.19 H new ATOM 0 HE21 GLN A 52 28.581 28.139 5.376 1.00 0.39 H new ATOM 0 HE22 GLN A 52 29.368 29.454 6.255 1.00 0.39 H new ATOM 853 N TYR A 53 27.408 24.459 2.963 1.00 0.12 N ATOM 854 CA TYR A 53 26.596 24.108 1.765 1.00 0.13 C ATOM 855 C TYR A 53 25.117 24.004 2.174 1.00 0.13 C ATOM 856 O TYR A 53 24.248 24.546 1.520 1.00 0.15 O ATOM 857 CB TYR A 53 27.097 22.772 1.176 1.00 0.14 C ATOM 858 CG TYR A 53 26.027 22.152 0.301 1.00 0.15 C ATOM 859 CD1 TYR A 53 24.992 21.430 0.894 1.00 0.16 C ATOM 860 CD2 TYR A 53 26.062 22.312 -1.089 1.00 0.17 C ATOM 861 CE1 TYR A 53 23.986 20.863 0.110 1.00 0.18 C ATOM 862 CE2 TYR A 53 25.054 21.746 -1.881 1.00 0.19 C ATOM 863 CZ TYR A 53 24.013 21.022 -1.281 1.00 0.19 C ATOM 864 OH TYR A 53 23.020 20.465 -2.061 1.00 0.22 O ATOM 0 H TYR A 53 28.131 23.783 3.209 1.00 0.12 H new ATOM 0 HA TYR A 53 26.698 24.880 1.002 1.00 0.13 H new ATOM 0 HB2 TYR A 53 28.002 22.940 0.592 1.00 0.14 H new ATOM 0 HB3 TYR A 53 27.360 22.087 1.982 1.00 0.14 H new ATOM 0 HD1 TYR A 53 24.969 21.309 1.967 1.00 0.16 H new ATOM 0 HD2 TYR A 53 26.864 22.870 -1.550 1.00 0.17 H new ATOM 0 HE1 TYR A 53 23.188 20.303 0.575 1.00 0.18 H new ATOM 0 HE2 TYR A 53 25.079 21.867 -2.954 1.00 0.19 H new ATOM 0 HH TYR A 53 23.190 20.671 -3.004 1.00 0.22 H new ATOM 874 N VAL A 54 24.822 23.314 3.244 1.00 0.15 N ATOM 875 CA VAL A 54 23.395 23.188 3.668 1.00 0.14 C ATOM 876 C VAL A 54 22.777 24.584 3.772 1.00 0.14 C ATOM 877 O VAL A 54 21.861 24.927 3.052 1.00 0.15 O ATOM 878 CB VAL A 54 23.294 22.499 5.042 1.00 0.13 C ATOM 879 CG1 VAL A 54 21.824 22.494 5.480 1.00 0.14 C ATOM 880 CG2 VAL A 54 23.819 21.039 4.976 1.00 0.14 C ATOM 0 H VAL A 54 25.499 22.836 3.838 1.00 0.15 H new ATOM 0 HA VAL A 54 22.864 22.588 2.929 1.00 0.14 H new ATOM 0 HB VAL A 54 23.906 23.047 5.758 1.00 0.13 H new ATOM 0 HG11 VAL A 54 21.736 22.009 6.452 1.00 0.14 H new ATOM 0 HG12 VAL A 54 21.462 23.520 5.552 1.00 0.14 H new ATOM 0 HG13 VAL A 54 21.228 21.950 4.748 1.00 0.14 H new ATOM 0 HG21 VAL A 54 23.736 20.578 5.960 1.00 0.14 H new ATOM 0 HG22 VAL A 54 23.227 20.472 4.258 1.00 0.14 H new ATOM 0 HG23 VAL A 54 24.863 21.042 4.664 1.00 0.14 H new ATOM 890 N VAL A 55 23.273 25.385 4.672 1.00 0.15 N ATOM 891 CA VAL A 55 22.722 26.759 4.841 1.00 0.16 C ATOM 892 C VAL A 55 22.749 27.490 3.497 1.00 0.19 C ATOM 893 O VAL A 55 21.741 27.969 3.017 1.00 0.22 O ATOM 894 CB VAL A 55 23.579 27.523 5.857 1.00 0.19 C ATOM 895 CG1 VAL A 55 22.934 28.877 6.161 1.00 0.29 C ATOM 896 CG2 VAL A 55 23.686 26.708 7.149 1.00 0.13 C ATOM 0 H VAL A 55 24.040 25.147 5.301 1.00 0.15 H new ATOM 0 HA VAL A 55 21.694 26.700 5.198 1.00 0.16 H new ATOM 0 HB VAL A 55 24.574 27.682 5.442 1.00 0.19 H new ATOM 0 HG11 VAL A 55 23.546 29.417 6.883 1.00 0.29 H new ATOM 0 HG12 VAL A 55 22.859 29.459 5.242 1.00 0.29 H new ATOM 0 HG13 VAL A 55 21.938 28.721 6.574 1.00 0.29 H new ATOM 0 HG21 VAL A 55 24.295 27.250 7.872 1.00 0.13 H new ATOM 0 HG22 VAL A 55 22.690 26.548 7.562 1.00 0.13 H new ATOM 0 HG23 VAL A 55 24.149 25.745 6.934 1.00 0.13 H new ATOM 906 N ASN A 56 23.898 27.581 2.890 1.00 0.22 N ATOM 907 CA ASN A 56 23.999 28.283 1.579 1.00 0.27 C ATOM 908 C ASN A 56 23.022 27.660 0.577 1.00 0.26 C ATOM 909 O ASN A 56 22.275 28.351 -0.086 1.00 0.33 O ATOM 910 CB ASN A 56 25.428 28.154 1.043 1.00 0.35 C ATOM 911 CG ASN A 56 25.622 29.109 -0.135 1.00 0.71 C ATOM 912 OD1 ASN A 56 26.696 29.191 -0.697 1.00 1.56 O ATOM 913 ND2 ASN A 56 24.620 29.840 -0.535 1.00 0.90 N ATOM 0 H ASN A 56 24.774 27.199 3.245 1.00 0.22 H new ATOM 0 HA ASN A 56 23.750 29.335 1.715 1.00 0.27 H new ATOM 0 HB2 ASN A 56 26.145 28.383 1.832 1.00 0.35 H new ATOM 0 HB3 ASN A 56 25.618 27.128 0.728 1.00 0.35 H new ATOM 0 HD21 ASN A 56 24.738 30.481 -1.320 1.00 0.90 H new ATOM 0 HD22 ASN A 56 23.718 29.771 -0.063 1.00 0.90 H new ATOM 920 N GLU A 57 23.027 26.362 0.455 1.00 0.24 N ATOM 921 CA GLU A 57 22.106 25.697 -0.513 1.00 0.26 C ATOM 922 C GLU A 57 20.658 25.826 -0.037 1.00 0.25 C ATOM 923 O GLU A 57 19.775 26.183 -0.791 1.00 0.32 O ATOM 924 CB GLU A 57 22.470 24.213 -0.618 1.00 0.29 C ATOM 925 CG GLU A 57 21.575 23.526 -1.662 1.00 0.50 C ATOM 926 CD GLU A 57 20.218 23.175 -1.041 1.00 1.58 C ATOM 927 OE1 GLU A 57 20.206 22.438 -0.069 1.00 2.31 O ATOM 928 OE2 GLU A 57 19.216 23.651 -1.549 1.00 2.37 O ATOM 0 H GLU A 57 23.629 25.731 0.984 1.00 0.24 H new ATOM 0 HA GLU A 57 22.206 26.177 -1.487 1.00 0.26 H new ATOM 0 HB2 GLU A 57 23.518 24.106 -0.898 1.00 0.29 H new ATOM 0 HB3 GLU A 57 22.348 23.730 0.352 1.00 0.29 H new ATOM 0 HG2 GLU A 57 21.432 24.183 -2.520 1.00 0.50 H new ATOM 0 HG3 GLU A 57 22.060 22.622 -2.030 1.00 0.50 H new ATOM 935 N TYR A 58 20.406 25.521 1.204 1.00 0.22 N ATOM 936 CA TYR A 58 19.015 25.605 1.728 1.00 0.26 C ATOM 937 C TYR A 58 18.344 26.903 1.291 1.00 0.32 C ATOM 938 O TYR A 58 17.300 26.895 0.671 1.00 0.46 O ATOM 939 CB TYR A 58 19.047 25.526 3.253 1.00 0.33 C ATOM 940 CG TYR A 58 17.671 25.841 3.795 1.00 0.77 C ATOM 941 CD1 TYR A 58 16.581 25.043 3.441 1.00 1.98 C ATOM 942 CD2 TYR A 58 17.489 26.931 4.638 1.00 0.82 C ATOM 943 CE1 TYR A 58 15.306 25.335 3.936 1.00 2.44 C ATOM 944 CE2 TYR A 58 16.218 27.227 5.135 1.00 0.99 C ATOM 945 CZ TYR A 58 15.124 26.428 4.786 1.00 1.71 C ATOM 946 OH TYR A 58 13.869 26.721 5.278 1.00 2.18 O ATOM 0 H TYR A 58 21.106 25.216 1.881 1.00 0.22 H new ATOM 0 HA TYR A 58 18.438 24.773 1.325 1.00 0.26 H new ATOM 0 HB2 TYR A 58 19.357 24.531 3.571 1.00 0.33 H new ATOM 0 HB3 TYR A 58 19.778 26.230 3.651 1.00 0.33 H new ATOM 0 HD1 TYR A 58 16.723 24.198 2.783 1.00 1.98 H new ATOM 0 HD2 TYR A 58 18.332 27.550 4.909 1.00 0.82 H new ATOM 0 HE1 TYR A 58 14.464 24.717 3.662 1.00 2.44 H new ATOM 0 HE2 TYR A 58 16.079 28.074 5.790 1.00 0.99 H new ATOM 0 HH TYR A 58 13.295 25.930 5.202 1.00 2.18 H new ATOM 956 N SER A 59 18.912 28.011 1.633 1.00 0.40 N ATOM 957 CA SER A 59 18.278 29.304 1.262 1.00 0.52 C ATOM 958 C SER A 59 18.188 29.437 -0.261 1.00 0.55 C ATOM 959 O SER A 59 17.136 29.710 -0.805 1.00 0.70 O ATOM 960 CB SER A 59 19.102 30.461 1.829 1.00 0.61 C ATOM 961 OG SER A 59 18.582 31.690 1.340 1.00 1.22 O ATOM 0 H SER A 59 19.787 28.085 2.153 1.00 0.40 H new ATOM 0 HA SER A 59 17.271 29.333 1.678 1.00 0.52 H new ATOM 0 HB2 SER A 59 19.069 30.447 2.918 1.00 0.61 H new ATOM 0 HB3 SER A 59 20.148 30.354 1.540 1.00 0.61 H new ATOM 0 HG SER A 59 19.107 32.434 1.702 1.00 1.22 H new ATOM 967 N ARG A 60 19.279 29.258 -0.954 1.00 0.55 N ATOM 968 CA ARG A 60 19.248 29.386 -2.441 1.00 0.68 C ATOM 969 C ARG A 60 18.051 28.615 -3.006 1.00 0.68 C ATOM 970 O ARG A 60 17.444 29.019 -3.977 1.00 0.81 O ATOM 971 CB ARG A 60 20.546 28.820 -3.030 1.00 0.80 C ATOM 972 CG ARG A 60 21.683 29.826 -2.828 1.00 1.08 C ATOM 973 CD ARG A 60 22.946 29.318 -3.526 1.00 1.52 C ATOM 974 NE ARG A 60 22.703 29.236 -4.993 1.00 2.16 N ATOM 975 CZ ARG A 60 23.708 29.112 -5.816 1.00 2.72 C ATOM 976 NH1 ARG A 60 24.927 29.049 -5.353 1.00 2.84 N ATOM 977 NH2 ARG A 60 23.494 29.047 -7.102 1.00 3.69 N ATOM 0 H ARG A 60 20.190 29.029 -0.557 1.00 0.55 H new ATOM 0 HA ARG A 60 19.154 30.439 -2.708 1.00 0.68 H new ATOM 0 HB2 ARG A 60 20.794 27.874 -2.548 1.00 0.80 H new ATOM 0 HB3 ARG A 60 20.415 28.612 -4.092 1.00 0.80 H new ATOM 0 HG2 ARG A 60 21.398 30.798 -3.231 1.00 1.08 H new ATOM 0 HG3 ARG A 60 21.874 29.966 -1.764 1.00 1.08 H new ATOM 0 HD2 ARG A 60 23.782 29.987 -3.322 1.00 1.52 H new ATOM 0 HD3 ARG A 60 23.220 28.338 -3.137 1.00 1.52 H new ATOM 0 HE ARG A 60 21.750 29.277 -5.355 1.00 2.16 H new ATOM 0 HH11 ARG A 60 25.094 29.097 -4.348 1.00 2.84 H new ATOM 0 HH12 ARG A 60 25.713 28.952 -5.996 1.00 2.84 H new ATOM 0 HH21 ARG A 60 22.541 29.093 -7.463 1.00 3.69 H new ATOM 0 HH22 ARG A 60 24.279 28.950 -7.745 1.00 3.69 H new ATOM 991 N GLN A 61 17.709 27.510 -2.408 1.00 0.65 N ATOM 992 CA GLN A 61 16.554 26.718 -2.918 1.00 0.75 C ATOM 993 C GLN A 61 15.344 27.637 -3.100 1.00 0.82 C ATOM 994 O GLN A 61 14.692 27.622 -4.125 1.00 0.98 O ATOM 995 CB GLN A 61 16.211 25.607 -1.920 1.00 0.78 C ATOM 996 CG GLN A 61 15.144 24.682 -2.517 1.00 1.35 C ATOM 997 CD GLN A 61 15.728 23.926 -3.713 1.00 1.81 C ATOM 998 OE1 GLN A 61 16.498 23.002 -3.545 1.00 2.46 O ATOM 999 NE2 GLN A 61 15.391 24.282 -4.922 1.00 2.39 N ATOM 0 H GLN A 61 18.177 27.120 -1.590 1.00 0.65 H new ATOM 0 HA GLN A 61 16.817 26.272 -3.877 1.00 0.75 H new ATOM 0 HB2 GLN A 61 17.106 25.035 -1.677 1.00 0.78 H new ATOM 0 HB3 GLN A 61 15.848 26.042 -0.989 1.00 0.78 H new ATOM 0 HG2 GLN A 61 14.797 23.976 -1.762 1.00 1.35 H new ATOM 0 HG3 GLN A 61 14.278 25.265 -2.830 1.00 1.35 H new ATOM 0 HE21 GLN A 61 14.744 25.058 -5.064 1.00 2.39 H new ATOM 0 HE22 GLN A 61 15.774 23.784 -5.726 1.00 2.39 H new ATOM 1008 N HIS A 62 15.034 28.438 -2.114 1.00 0.86 N ATOM 1009 CA HIS A 62 13.862 29.354 -2.234 1.00 1.04 C ATOM 1010 C HIS A 62 14.302 30.669 -2.884 1.00 1.08 C ATOM 1011 O HIS A 62 13.549 31.620 -2.946 1.00 1.27 O ATOM 1012 CB HIS A 62 13.300 29.639 -0.840 1.00 1.15 C ATOM 1013 CG HIS A 62 12.769 28.364 -0.244 1.00 1.32 C ATOM 1014 ND1 HIS A 62 13.582 27.263 -0.005 1.00 1.81 N ATOM 1015 CD2 HIS A 62 11.510 27.996 0.167 1.00 1.57 C ATOM 1016 CE1 HIS A 62 12.811 26.295 0.526 1.00 1.95 C ATOM 1017 NE2 HIS A 62 11.545 26.694 0.650 1.00 1.81 N ATOM 0 H HIS A 62 15.542 28.497 -1.231 1.00 0.86 H new ATOM 0 HA HIS A 62 13.095 28.885 -2.851 1.00 1.04 H new ATOM 0 HB2 HIS A 62 14.078 30.056 -0.201 1.00 1.15 H new ATOM 0 HB3 HIS A 62 12.506 30.383 -0.901 1.00 1.15 H new ATOM 0 HD2 HIS A 62 10.631 28.622 0.122 1.00 1.57 H new ATOM 0 HE1 HIS A 62 13.172 25.319 0.815 1.00 1.95 H new ATOM 0 HE2 HIS A 62 10.764 26.155 1.023 1.00 1.81 H new ATOM 1025 N ASN A 63 15.515 30.734 -3.366 1.00 1.07 N ATOM 1026 CA ASN A 63 15.994 31.994 -4.006 1.00 1.28 C ATOM 1027 C ASN A 63 15.665 33.176 -3.091 1.00 1.39 C ATOM 1028 O ASN A 63 15.518 34.299 -3.531 1.00 1.84 O ATOM 1029 CB ASN A 63 15.293 32.180 -5.353 1.00 1.47 C ATOM 1030 CG ASN A 63 15.930 33.349 -6.106 1.00 1.99 C ATOM 1031 OD1 ASN A 63 15.570 33.630 -7.232 1.00 2.62 O ATOM 1032 ND2 ASN A 63 16.869 34.048 -5.528 1.00 2.68 N ATOM 0 H ASN A 63 16.193 29.972 -3.344 1.00 1.07 H new ATOM 0 HA ASN A 63 17.071 31.940 -4.164 1.00 1.28 H new ATOM 0 HB2 ASN A 63 15.371 31.268 -5.944 1.00 1.47 H new ATOM 0 HB3 ASN A 63 14.231 32.369 -5.198 1.00 1.47 H new ATOM 0 HD21 ASN A 63 17.300 34.830 -6.022 1.00 2.68 H new ATOM 0 HD22 ASN A 63 17.172 33.813 -4.583 1.00 2.68 H new ATOM 1039 N LEU A 64 15.542 32.921 -1.818 1.00 1.34 N ATOM 1040 CA LEU A 64 15.214 34.011 -0.858 1.00 1.51 C ATOM 1041 C LEU A 64 16.441 34.916 -0.673 1.00 1.81 C ATOM 1042 O LEU A 64 17.477 34.485 -0.205 1.00 2.42 O ATOM 1043 CB LEU A 64 14.801 33.368 0.490 1.00 1.61 C ATOM 1044 CG LEU A 64 13.542 34.049 1.058 1.00 1.76 C ATOM 1045 CD1 LEU A 64 12.289 33.490 0.373 1.00 1.87 C ATOM 1046 CD2 LEU A 64 13.451 33.776 2.561 1.00 2.54 C ATOM 0 H LEU A 64 15.655 31.998 -1.399 1.00 1.34 H new ATOM 0 HA LEU A 64 14.392 34.620 -1.235 1.00 1.51 H new ATOM 0 HB2 LEU A 64 14.612 32.304 0.348 1.00 1.61 H new ATOM 0 HB3 LEU A 64 15.620 33.453 1.205 1.00 1.61 H new ATOM 0 HG LEU A 64 13.606 35.122 0.877 1.00 1.76 H new ATOM 0 HD11 LEU A 64 11.403 33.977 0.781 1.00 1.87 H new ATOM 0 HD12 LEU A 64 12.346 33.679 -0.699 1.00 1.87 H new ATOM 0 HD13 LEU A 64 12.226 32.416 0.550 1.00 1.87 H new ATOM 0 HD21 LEU A 64 12.560 34.257 2.965 1.00 2.54 H new ATOM 0 HD22 LEU A 64 13.392 32.701 2.733 1.00 2.54 H new ATOM 0 HD23 LEU A 64 14.336 34.175 3.057 1.00 2.54 H new ATOM 1058 N ASN A 65 16.331 36.165 -1.040 1.00 2.02 N ATOM 1059 CA ASN A 65 17.479 37.097 -0.895 1.00 2.49 C ATOM 1060 C ASN A 65 16.948 38.529 -0.742 1.00 3.04 C ATOM 1061 O ASN A 65 16.845 39.266 -1.702 1.00 3.62 O ATOM 1062 CB ASN A 65 18.351 37.000 -2.152 1.00 3.04 C ATOM 1063 CG ASN A 65 19.347 35.844 -2.015 1.00 3.59 C ATOM 1064 OD1 ASN A 65 19.387 34.959 -2.846 1.00 4.09 O ATOM 1065 ND2 ASN A 65 20.159 35.816 -0.993 1.00 4.13 N ATOM 0 H ASN A 65 15.487 36.579 -1.437 1.00 2.02 H new ATOM 0 HA ASN A 65 18.069 36.837 -0.017 1.00 2.49 H new ATOM 0 HB2 ASN A 65 17.722 36.846 -3.029 1.00 3.04 H new ATOM 0 HB3 ASN A 65 18.888 37.936 -2.305 1.00 3.04 H new ATOM 0 HD21 ASN A 65 20.826 35.051 -0.893 1.00 4.13 H new ATOM 0 HD22 ASN A 65 20.126 36.559 -0.295 1.00 4.13 H new ATOM 1072 N ILE A 66 16.613 38.930 0.456 1.00 0.00 N ATOM 1073 CA ILE A 66 16.094 40.316 0.665 1.00 0.00 C ATOM 1074 C ILE A 66 17.265 41.251 0.969 1.00 0.00 C ATOM 1075 O ILE A 66 17.528 42.191 0.246 1.00 0.00 O ATOM 1076 CB ILE A 66 15.111 40.327 1.841 1.00 0.00 C ATOM 1077 CG1 ILE A 66 13.872 39.491 1.488 1.00 0.00 C ATOM 1078 CG2 ILE A 66 14.678 41.767 2.130 1.00 0.00 C ATOM 1079 CD1 ILE A 66 14.250 38.013 1.308 1.00 0.00 C ATOM 0 H ILE A 66 16.676 38.359 1.299 1.00 0.00 H new ATOM 0 HA ILE A 66 15.580 40.652 -0.235 1.00 0.00 H new ATOM 0 HB ILE A 66 15.598 39.904 2.720 1.00 0.00 H new ATOM 0 HG12 ILE A 66 13.125 39.587 2.276 1.00 0.00 H new ATOM 0 HG13 ILE A 66 13.420 39.870 0.572 1.00 0.00 H new ATOM 0 HG21 ILE A 66 13.979 41.776 2.966 1.00 0.00 H new ATOM 0 HG22 ILE A 66 15.553 42.366 2.382 1.00 0.00 H new ATOM 0 HG23 ILE A 66 14.194 42.185 1.248 1.00 0.00 H new ATOM 0 HD11 ILE A 66 13.359 37.437 1.058 1.00 0.00 H new ATOM 0 HD12 ILE A 66 14.980 37.919 0.504 1.00 0.00 H new ATOM 0 HD13 ILE A 66 14.680 37.632 2.234 1.00 0.00 H new ATOM 1091 N TYR A 67 17.974 40.996 2.036 1.00 0.00 N ATOM 1092 CA TYR A 67 19.139 41.864 2.399 1.00 0.00 C ATOM 1093 C TYR A 67 20.406 41.299 1.734 1.00 0.00 C ATOM 1094 O TYR A 67 20.709 41.608 0.598 1.00 0.00 O ATOM 1095 CB TYR A 67 19.302 41.914 3.944 1.00 0.00 C ATOM 1096 CG TYR A 67 18.507 40.798 4.591 1.00 0.00 C ATOM 1097 CD1 TYR A 67 17.138 40.967 4.828 1.00 0.00 C ATOM 1098 CD2 TYR A 67 19.135 39.598 4.952 1.00 0.00 C ATOM 1099 CE1 TYR A 67 16.397 39.941 5.424 1.00 0.00 C ATOM 1100 CE2 TYR A 67 18.393 38.572 5.549 1.00 0.00 C ATOM 1101 CZ TYR A 67 17.024 38.743 5.784 1.00 0.00 C ATOM 1102 OH TYR A 67 16.292 37.732 6.372 1.00 0.00 O ATOM 0 H TYR A 67 17.798 40.222 2.676 1.00 0.00 H new ATOM 0 HA TYR A 67 18.972 42.881 2.044 1.00 0.00 H new ATOM 0 HB2 TYR A 67 20.355 41.821 4.209 1.00 0.00 H new ATOM 0 HB3 TYR A 67 18.962 42.878 4.322 1.00 0.00 H new ATOM 0 HD1 TYR A 67 16.653 41.891 4.550 1.00 0.00 H new ATOM 0 HD2 TYR A 67 20.191 39.465 4.770 1.00 0.00 H new ATOM 0 HE1 TYR A 67 15.341 40.074 5.606 1.00 0.00 H new ATOM 0 HE2 TYR A 67 18.877 37.648 5.828 1.00 0.00 H new ATOM 0 HH TYR A 67 16.878 36.969 6.558 1.00 0.00 H new ATOM 1112 N ASP A 68 21.143 40.476 2.427 1.00 0.00 N ATOM 1113 CA ASP A 68 22.380 39.897 1.830 1.00 0.00 C ATOM 1114 C ASP A 68 23.292 41.024 1.340 1.00 0.00 C ATOM 1115 O ASP A 68 24.209 40.803 0.574 1.00 0.00 O ATOM 1116 CB ASP A 68 22.002 38.997 0.651 1.00 0.00 C ATOM 1117 CG ASP A 68 23.197 38.120 0.272 1.00 0.00 C ATOM 1118 OD1 ASP A 68 23.480 37.188 1.006 1.00 0.00 O ATOM 1119 OD2 ASP A 68 23.810 38.396 -0.747 1.00 0.00 O ATOM 0 H ASP A 68 20.942 40.179 3.382 1.00 0.00 H new ATOM 0 HA ASP A 68 22.905 39.310 2.584 1.00 0.00 H new ATOM 0 HB2 ASP A 68 21.149 38.372 0.916 1.00 0.00 H new ATOM 0 HB3 ASP A 68 21.699 39.605 -0.201 1.00 0.00 H new ATOM 1124 N GLY A 69 23.051 42.231 1.776 1.00 0.00 N ATOM 1125 CA GLY A 69 23.908 43.369 1.334 1.00 0.00 C ATOM 1126 C GLY A 69 23.135 44.681 1.482 1.00 0.00 C ATOM 1127 O GLY A 69 23.538 45.570 2.205 1.00 0.00 O ATOM 0 H GLY A 69 22.298 42.478 2.419 1.00 0.00 H new ATOM 0 HA2 GLY A 69 24.820 43.403 1.930 1.00 0.00 H new ATOM 0 HA3 GLY A 69 24.210 43.228 0.296 1.00 0.00 H new ATOM 1131 N GLY A 70 22.028 44.809 0.803 1.00 0.00 N ATOM 1132 CA GLY A 70 21.232 46.065 0.908 1.00 0.00 C ATOM 1133 C GLY A 70 20.001 45.969 0.005 1.00 0.00 C ATOM 1134 O GLY A 70 18.890 45.807 0.471 1.00 0.00 O ATOM 0 H GLY A 70 21.641 44.099 0.181 1.00 0.00 H new ATOM 0 HA2 GLY A 70 20.926 46.228 1.941 1.00 0.00 H new ATOM 0 HA3 GLY A 70 21.843 46.920 0.618 1.00 0.00 H new ATOM 1138 N GLU A 71 20.189 46.068 -1.286 1.00 0.00 N ATOM 1139 CA GLU A 71 19.032 45.985 -2.232 1.00 0.00 C ATOM 1140 C GLU A 71 19.454 45.206 -3.479 1.00 0.00 C ATOM 1141 O GLU A 71 18.713 45.100 -4.436 1.00 0.00 O ATOM 1142 CB GLU A 71 18.605 47.398 -2.643 1.00 0.00 C ATOM 1143 CG GLU A 71 17.846 48.065 -1.494 1.00 0.00 C ATOM 1144 CD GLU A 71 16.462 47.428 -1.356 1.00 0.00 C ATOM 1145 OE1 GLU A 71 16.146 46.564 -2.157 1.00 0.00 O ATOM 1146 OE2 GLU A 71 15.740 47.816 -0.451 1.00 0.00 O ATOM 0 H GLU A 71 21.098 46.203 -1.729 1.00 0.00 H new ATOM 0 HA GLU A 71 18.199 45.479 -1.744 1.00 0.00 H new ATOM 0 HB2 GLU A 71 19.481 47.991 -2.905 1.00 0.00 H new ATOM 0 HB3 GLU A 71 17.974 47.353 -3.530 1.00 0.00 H new ATOM 0 HG2 GLU A 71 18.403 47.954 -0.564 1.00 0.00 H new ATOM 0 HG3 GLU A 71 17.748 49.134 -1.681 1.00 0.00 H new ATOM 1153 N LEU A 72 20.641 44.663 -3.478 1.00 0.00 N ATOM 1154 CA LEU A 72 21.114 43.894 -4.664 1.00 0.00 C ATOM 1155 C LEU A 72 20.951 44.747 -5.925 1.00 0.00 C ATOM 1156 O LEU A 72 21.546 45.798 -6.053 1.00 0.00 O ATOM 1157 CB LEU A 72 20.298 42.604 -4.805 1.00 0.00 C ATOM 1158 CG LEU A 72 20.574 41.665 -3.603 1.00 0.00 C ATOM 1159 CD1 LEU A 72 19.567 41.931 -2.478 1.00 0.00 C ATOM 1160 CD2 LEU A 72 20.445 40.207 -4.049 1.00 0.00 C ATOM 0 H LEU A 72 21.305 44.719 -2.705 1.00 0.00 H new ATOM 0 HA LEU A 72 22.166 43.639 -4.532 1.00 0.00 H new ATOM 0 HB2 LEU A 72 19.235 42.840 -4.855 1.00 0.00 H new ATOM 0 HB3 LEU A 72 20.557 42.101 -5.737 1.00 0.00 H new ATOM 0 HG LEU A 72 21.583 41.856 -3.237 1.00 0.00 H new ATOM 0 HD11 LEU A 72 19.773 41.265 -1.640 1.00 0.00 H new ATOM 0 HD12 LEU A 72 19.655 42.966 -2.148 1.00 0.00 H new ATOM 0 HD13 LEU A 72 18.556 41.752 -2.845 1.00 0.00 H new ATOM 0 HD21 LEU A 72 20.640 39.549 -3.202 1.00 0.00 H new ATOM 0 HD22 LEU A 72 19.437 40.029 -4.423 1.00 0.00 H new ATOM 0 HD23 LEU A 72 21.167 40.003 -4.840 1.00 0.00 H new ATOM 1172 N ARG A 73 20.153 44.305 -6.860 1.00 0.00 N ATOM 1173 CA ARG A 73 19.963 45.096 -8.110 1.00 0.00 C ATOM 1174 C ARG A 73 21.334 45.477 -8.678 1.00 0.00 C ATOM 1175 O ARG A 73 22.327 44.835 -8.400 1.00 0.00 O ATOM 1176 CB ARG A 73 19.161 46.363 -7.794 1.00 0.00 C ATOM 1177 CG ARG A 73 17.726 45.980 -7.398 1.00 0.00 C ATOM 1178 CD ARG A 73 16.969 45.373 -8.605 1.00 0.00 C ATOM 1179 NE ARG A 73 15.593 45.964 -8.701 1.00 0.00 N ATOM 1180 CZ ARG A 73 14.823 46.076 -7.649 1.00 0.00 C ATOM 1181 NH1 ARG A 73 15.198 45.589 -6.498 1.00 0.00 N ATOM 1182 NH2 ARG A 73 13.659 46.655 -7.758 1.00 0.00 N ATOM 0 H ARG A 73 19.626 43.433 -6.813 1.00 0.00 H new ATOM 0 HA ARG A 73 19.419 44.502 -8.844 1.00 0.00 H new ATOM 0 HB2 ARG A 73 19.638 46.915 -6.984 1.00 0.00 H new ATOM 0 HB3 ARG A 73 19.146 47.022 -8.662 1.00 0.00 H new ATOM 0 HG2 ARG A 73 17.749 45.262 -6.578 1.00 0.00 H new ATOM 0 HG3 ARG A 73 17.196 46.861 -7.035 1.00 0.00 H new ATOM 0 HD2 ARG A 73 17.521 45.566 -9.525 1.00 0.00 H new ATOM 0 HD3 ARG A 73 16.901 44.291 -8.495 1.00 0.00 H new ATOM 0 HE ARG A 73 15.250 46.286 -9.606 1.00 0.00 H new ATOM 0 HH11 ARG A 73 16.098 45.116 -6.413 1.00 0.00 H new ATOM 0 HH12 ARG A 73 14.591 45.681 -5.683 1.00 0.00 H new ATOM 0 HH21 ARG A 73 13.353 47.018 -8.661 1.00 0.00 H new ATOM 0 HH22 ARG A 73 13.055 46.745 -6.941 1.00 0.00 H new ATOM 1196 N ASN A 74 21.400 46.516 -9.473 1.00 0.00 N ATOM 1197 CA ASN A 74 22.709 46.938 -10.060 1.00 0.00 C ATOM 1198 C ASN A 74 22.789 48.464 -10.082 1.00 0.00 C ATOM 1199 O ASN A 74 23.165 49.092 -9.113 1.00 0.00 O ATOM 1200 CB ASN A 74 22.822 46.409 -11.495 1.00 0.00 C ATOM 1201 CG ASN A 74 21.441 46.422 -12.152 1.00 0.00 C ATOM 1202 OD1 ASN A 74 20.508 45.835 -11.642 1.00 0.00 O ATOM 1203 ND2 ASN A 74 21.270 47.072 -13.271 1.00 0.00 N ATOM 0 H ASN A 74 20.602 47.091 -9.741 1.00 0.00 H new ATOM 0 HA ASN A 74 23.522 46.535 -9.455 1.00 0.00 H new ATOM 0 HB2 ASN A 74 23.515 47.025 -12.068 1.00 0.00 H new ATOM 0 HB3 ASN A 74 23.225 45.396 -11.490 1.00 0.00 H new ATOM 0 HD21 ASN A 74 20.353 47.087 -13.717 1.00 0.00 H new ATOM 0 HD22 ASN A 74 22.054 47.565 -13.699 1.00 0.00 H new ATOM 1210 N THR A 75 22.448 49.061 -11.192 1.00 0.00 N ATOM 1211 CA THR A 75 22.516 50.543 -11.292 1.00 0.00 C ATOM 1212 C THR A 75 21.889 51.178 -10.056 1.00 0.00 C ATOM 1213 O THR A 75 20.775 50.872 -9.679 1.00 0.00 O ATOM 1214 CB THR A 75 21.769 51.022 -12.535 1.00 0.00 C ATOM 1215 OG1 THR A 75 20.452 50.487 -12.531 1.00 0.00 O ATOM 1216 CG2 THR A 75 22.509 50.556 -13.790 1.00 0.00 C ATOM 0 H THR A 75 22.125 48.584 -12.034 1.00 0.00 H new ATOM 0 HA THR A 75 23.563 50.838 -11.363 1.00 0.00 H new ATOM 0 HB THR A 75 21.718 52.111 -12.531 1.00 0.00 H new ATOM 0 HG1 THR A 75 20.148 50.374 -11.606 1.00 0.00 H new ATOM 0 HG21 THR A 75 21.974 50.899 -14.676 1.00 0.00 H new ATOM 0 HG22 THR A 75 23.518 50.969 -13.792 1.00 0.00 H new ATOM 0 HG23 THR A 75 22.563 49.467 -13.797 1.00 0.00 H new ATOM 1224 N THR A 76 22.613 52.062 -9.435 1.00 0.00 N ATOM 1225 CA THR A 76 22.110 52.763 -8.213 1.00 0.00 C ATOM 1226 C THR A 76 20.617 53.080 -8.352 1.00 0.00 C ATOM 1227 O THR A 76 19.894 53.150 -7.378 1.00 0.00 O ATOM 1228 CB THR A 76 22.881 54.073 -8.055 1.00 0.00 C ATOM 1229 OG1 THR A 76 22.125 54.975 -7.259 1.00 0.00 O ATOM 1230 CG2 THR A 76 23.120 54.682 -9.440 1.00 0.00 C ATOM 0 H THR A 76 23.551 52.337 -9.725 1.00 0.00 H new ATOM 0 HA THR A 76 22.254 52.120 -7.345 1.00 0.00 H new ATOM 0 HB THR A 76 23.838 53.883 -7.569 1.00 0.00 H new ATOM 0 HG1 THR A 76 22.620 55.815 -7.156 1.00 0.00 H new ATOM 0 HG21 THR A 76 23.670 55.617 -9.336 1.00 0.00 H new ATOM 0 HG22 THR A 76 23.698 53.987 -10.048 1.00 0.00 H new ATOM 0 HG23 THR A 76 22.162 54.876 -9.922 1.00 0.00 H new ATOM 1238 N ARG A 77 20.152 53.271 -9.556 1.00 0.00 N ATOM 1239 CA ARG A 77 18.711 53.584 -9.760 1.00 0.00 C ATOM 1240 C ARG A 77 18.397 53.558 -11.256 1.00 0.00 C ATOM 1241 O ARG A 77 19.085 54.163 -12.055 1.00 0.00 O ATOM 1242 CB ARG A 77 18.404 54.974 -9.199 1.00 0.00 C ATOM 1243 CG ARG A 77 16.913 55.275 -9.365 1.00 0.00 C ATOM 1244 CD ARG A 77 16.582 56.611 -8.696 1.00 0.00 C ATOM 1245 NE ARG A 77 16.559 56.434 -7.217 1.00 0.00 N ATOM 1246 CZ ARG A 77 16.597 57.478 -6.436 1.00 0.00 C ATOM 1247 NH1 ARG A 77 16.667 58.676 -6.950 1.00 0.00 N ATOM 1248 NH2 ARG A 77 16.568 57.325 -5.140 1.00 0.00 N ATOM 0 H ARG A 77 20.710 53.223 -10.409 1.00 0.00 H new ATOM 0 HA ARG A 77 18.100 52.843 -9.244 1.00 0.00 H new ATOM 0 HB2 ARG A 77 18.680 55.022 -8.146 1.00 0.00 H new ATOM 0 HB3 ARG A 77 18.998 55.726 -9.718 1.00 0.00 H new ATOM 0 HG2 ARG A 77 16.655 55.313 -10.423 1.00 0.00 H new ATOM 0 HG3 ARG A 77 16.319 54.477 -8.920 1.00 0.00 H new ATOM 0 HD2 ARG A 77 17.323 57.361 -8.972 1.00 0.00 H new ATOM 0 HD3 ARG A 77 15.615 56.975 -9.044 1.00 0.00 H new ATOM 0 HE ARG A 77 16.514 55.497 -6.816 1.00 0.00 H new ATOM 0 HH11 ARG A 77 16.692 58.796 -7.963 1.00 0.00 H new ATOM 0 HH12 ARG A 77 16.697 59.492 -6.339 1.00 0.00 H new ATOM 0 HH21 ARG A 77 16.516 56.389 -4.738 1.00 0.00 H new ATOM 0 HH22 ARG A 77 16.598 58.141 -4.529 1.00 0.00 H new ATOM 1262 N GLN A 78 17.366 52.861 -11.641 1.00 0.00 N ATOM 1263 CA GLN A 78 17.007 52.794 -13.086 1.00 0.00 C ATOM 1264 C GLN A 78 16.527 54.168 -13.558 1.00 0.00 C ATOM 1265 O GLN A 78 15.520 54.289 -14.227 1.00 0.00 O ATOM 1266 CB GLN A 78 15.890 51.767 -13.288 1.00 0.00 C ATOM 1267 CG GLN A 78 14.769 52.024 -12.278 1.00 0.00 C ATOM 1268 CD GLN A 78 13.515 51.257 -12.701 1.00 0.00 C ATOM 1269 OE1 GLN A 78 12.618 51.819 -13.298 1.00 0.00 O ATOM 1270 NE2 GLN A 78 13.413 49.988 -12.415 1.00 0.00 N ATOM 0 H GLN A 78 16.755 52.334 -11.017 1.00 0.00 H new ATOM 0 HA GLN A 78 17.883 52.497 -13.663 1.00 0.00 H new ATOM 0 HB2 GLN A 78 15.500 51.833 -14.304 1.00 0.00 H new ATOM 0 HB3 GLN A 78 16.283 50.758 -13.162 1.00 0.00 H new ATOM 0 HG2 GLN A 78 15.083 51.709 -11.283 1.00 0.00 H new ATOM 0 HG3 GLN A 78 14.554 53.091 -12.221 1.00 0.00 H new ATOM 0 HE21 GLN A 78 14.166 49.516 -11.914 1.00 0.00 H new ATOM 0 HE22 GLN A 78 12.581 49.468 -12.693 1.00 0.00 H new ATOM 1279 N CYS A 79 17.239 55.206 -13.215 1.00 0.00 N ATOM 1280 CA CYS A 79 16.824 56.571 -13.646 1.00 0.00 C ATOM 1281 C CYS A 79 16.737 56.616 -15.173 1.00 0.00 C ATOM 1282 O CYS A 79 17.603 56.124 -15.868 1.00 0.00 O ATOM 1283 CB CYS A 79 17.854 57.593 -13.163 1.00 0.00 C ATOM 1284 SG CYS A 79 19.521 56.981 -13.513 1.00 0.00 S ATOM 0 H CYS A 79 18.091 55.168 -12.655 1.00 0.00 H new ATOM 0 HA CYS A 79 15.850 56.808 -13.218 1.00 0.00 H new ATOM 0 HB2 CYS A 79 17.694 58.549 -13.661 1.00 0.00 H new ATOM 0 HB3 CYS A 79 17.736 57.767 -12.093 1.00 0.00 H new ATOM 0 HG CYS A 79 19.724 55.877 -12.858 1.00 0.00 H new ATOM 1290 N GLY A 80 15.698 57.203 -15.701 1.00 0.00 N ATOM 1291 CA GLY A 80 15.558 57.278 -17.183 1.00 0.00 C ATOM 1292 C GLY A 80 14.104 57.584 -17.546 1.00 0.00 C ATOM 1293 O GLY A 80 13.246 57.366 -16.707 1.00 0.00 O ATOM 1294 OXT GLY A 80 13.873 58.029 -18.658 1.00 0.00 O ATOM 0 H GLY A 80 14.940 57.634 -15.171 1.00 0.00 H new ATOM 0 HA2 GLY A 80 16.214 58.052 -17.582 1.00 0.00 H new ATOM 0 HA3 GLY A 80 15.866 56.335 -17.636 1.00 0.00 H new TER 1298 GLY A 80 ATOM 1299 N GLY B 1 4.907 15.351 -1.250 1.00 6.48 N ATOM 1300 CA GLY B 1 4.427 16.800 -1.134 1.00 5.73 C ATOM 1301 C GLY B 1 4.934 17.660 -0.027 1.00 4.94 C ATOM 1302 O GLY B 1 5.489 17.179 0.941 1.00 5.12 O ATOM 0 H1 GLY B 1 4.456 14.901 -2.072 1.00 6.48 H new ATOM 0 H2 GLY B 1 5.940 15.336 -1.370 1.00 6.48 H new ATOM 0 H3 GLY B 1 4.651 14.830 -0.387 1.00 6.48 H new ATOM 0 HA2 GLY B 1 4.670 17.300 -2.072 1.00 5.73 H new ATOM 0 HA3 GLY B 1 3.340 16.778 -1.057 1.00 5.73 H new ATOM 1308 N SER B 2 4.759 18.949 -0.138 1.00 4.43 N ATOM 1309 CA SER B 2 5.244 19.866 0.934 1.00 3.98 C ATOM 1310 C SER B 2 6.761 19.663 1.114 1.00 2.98 C ATOM 1311 O SER B 2 7.297 18.673 0.656 1.00 3.23 O ATOM 1312 CB SER B 2 4.499 19.547 2.246 1.00 4.81 C ATOM 1313 OG SER B 2 5.435 19.231 3.271 1.00 5.35 O ATOM 0 H SER B 2 4.301 19.407 -0.925 1.00 4.43 H new ATOM 0 HA SER B 2 5.052 20.904 0.663 1.00 3.98 H new ATOM 0 HB2 SER B 2 3.892 20.401 2.547 1.00 4.81 H new ATOM 0 HB3 SER B 2 3.818 18.710 2.093 1.00 4.81 H new ATOM 0 HG SER B 2 4.955 19.031 4.102 1.00 5.35 H new ATOM 1319 N PRO B 3 7.417 20.596 1.777 1.00 2.36 N ATOM 1320 CA PRO B 3 8.869 20.493 2.008 1.00 2.03 C ATOM 1321 C PRO B 3 9.186 19.188 2.752 1.00 1.67 C ATOM 1322 O PRO B 3 8.335 18.340 2.928 1.00 2.17 O ATOM 1323 CB PRO B 3 9.228 21.734 2.863 1.00 2.59 C ATOM 1324 CG PRO B 3 7.905 22.507 3.138 1.00 2.98 C ATOM 1325 CD PRO B 3 6.783 21.807 2.341 1.00 2.84 C ATOM 0 HA PRO B 3 9.444 20.471 1.082 1.00 2.03 H new ATOM 0 HB2 PRO B 3 9.698 21.432 3.799 1.00 2.59 H new ATOM 0 HB3 PRO B 3 9.942 22.369 2.338 1.00 2.59 H new ATOM 0 HG2 PRO B 3 7.676 22.507 4.204 1.00 2.98 H new ATOM 0 HG3 PRO B 3 7.999 23.549 2.832 1.00 2.98 H new ATOM 0 HD2 PRO B 3 5.942 21.549 2.985 1.00 2.84 H new ATOM 0 HD3 PRO B 3 6.395 22.453 1.554 1.00 2.84 H new ATOM 1333 N LEU B 4 10.407 19.031 3.192 1.00 1.47 N ATOM 1334 CA LEU B 4 10.798 17.791 3.931 1.00 1.38 C ATOM 1335 C LEU B 4 10.818 18.083 5.434 1.00 1.11 C ATOM 1336 O LEU B 4 9.934 18.730 5.960 1.00 1.29 O ATOM 1337 CB LEU B 4 12.193 17.349 3.478 1.00 1.71 C ATOM 1338 CG LEU B 4 12.290 17.440 1.953 1.00 2.15 C ATOM 1339 CD1 LEU B 4 13.654 16.914 1.499 1.00 2.81 C ATOM 1340 CD2 LEU B 4 11.181 16.595 1.316 1.00 2.82 C ATOM 0 H LEU B 4 11.156 19.713 3.071 1.00 1.47 H new ATOM 0 HA LEU B 4 10.080 16.998 3.723 1.00 1.38 H new ATOM 0 HB2 LEU B 4 12.953 17.980 3.939 1.00 1.71 H new ATOM 0 HB3 LEU B 4 12.386 16.327 3.805 1.00 1.71 H new ATOM 0 HG LEU B 4 12.177 18.479 1.644 1.00 2.15 H new ATOM 0 HD11 LEU B 4 13.726 16.978 0.413 1.00 2.81 H new ATOM 0 HD12 LEU B 4 14.444 17.514 1.951 1.00 2.81 H new ATOM 0 HD13 LEU B 4 13.765 15.875 1.810 1.00 2.81 H new ATOM 0 HD21 LEU B 4 11.251 16.661 0.230 1.00 2.82 H new ATOM 0 HD22 LEU B 4 11.293 15.556 1.624 1.00 2.82 H new ATOM 0 HD23 LEU B 4 10.209 16.967 1.640 1.00 2.82 H new ATOM 1352 N GLY B 5 11.826 17.609 6.127 1.00 0.96 N ATOM 1353 CA GLY B 5 11.929 17.847 7.605 1.00 0.91 C ATOM 1354 C GLY B 5 13.188 18.665 7.902 1.00 0.71 C ATOM 1355 O GLY B 5 13.343 19.217 8.973 1.00 0.79 O ATOM 0 H GLY B 5 12.590 17.062 5.729 1.00 0.96 H new ATOM 0 HA2 GLY B 5 11.046 18.377 7.962 1.00 0.91 H new ATOM 0 HA3 GLY B 5 11.966 16.896 8.136 1.00 0.91 H new ATOM 1359 N GLN B 6 14.090 18.744 6.963 1.00 0.61 N ATOM 1360 CA GLN B 6 15.342 19.522 7.191 1.00 0.58 C ATOM 1361 C GLN B 6 14.993 20.933 7.667 1.00 0.45 C ATOM 1362 O GLN B 6 15.689 21.516 8.475 1.00 0.53 O ATOM 1363 CB GLN B 6 16.134 19.605 5.885 1.00 0.73 C ATOM 1364 CG GLN B 6 17.556 20.086 6.178 1.00 0.92 C ATOM 1365 CD GLN B 6 18.287 20.347 4.860 1.00 1.60 C ATOM 1366 OE1 GLN B 6 17.794 21.060 4.009 1.00 2.37 O ATOM 1367 NE2 GLN B 6 19.452 19.796 4.654 1.00 2.15 N ATOM 0 H GLN B 6 14.015 18.303 6.046 1.00 0.61 H new ATOM 0 HA GLN B 6 15.943 19.024 7.952 1.00 0.58 H new ATOM 0 HB2 GLN B 6 16.162 18.628 5.402 1.00 0.73 H new ATOM 0 HB3 GLN B 6 15.643 20.289 5.193 1.00 0.73 H new ATOM 0 HG2 GLN B 6 17.527 20.996 6.777 1.00 0.92 H new ATOM 0 HG3 GLN B 6 18.092 19.337 6.761 1.00 0.92 H new ATOM 0 HE21 GLN B 6 19.866 19.197 5.368 1.00 2.15 H new ATOM 0 HE22 GLN B 6 19.948 19.964 3.779 1.00 2.15 H new ATOM 1376 N ASP B 7 13.921 21.487 7.174 1.00 0.40 N ATOM 1377 CA ASP B 7 13.527 22.857 7.596 1.00 0.38 C ATOM 1378 C ASP B 7 13.461 22.921 9.124 1.00 0.33 C ATOM 1379 O ASP B 7 13.865 23.892 9.732 1.00 0.39 O ATOM 1380 CB ASP B 7 12.154 23.185 7.008 1.00 0.48 C ATOM 1381 CG ASP B 7 12.296 23.509 5.519 1.00 1.12 C ATOM 1382 OD1 ASP B 7 12.358 22.577 4.734 1.00 1.86 O ATOM 1383 OD2 ASP B 7 12.341 24.682 5.190 1.00 1.78 O ATOM 0 H ASP B 7 13.300 21.047 6.495 1.00 0.40 H new ATOM 0 HA ASP B 7 14.261 23.579 7.238 1.00 0.38 H new ATOM 0 HB2 ASP B 7 11.478 22.341 7.144 1.00 0.48 H new ATOM 0 HB3 ASP B 7 11.715 24.032 7.534 1.00 0.48 H new ATOM 1388 N VAL B 8 12.955 21.894 9.749 1.00 0.33 N ATOM 1389 CA VAL B 8 12.864 21.901 11.237 1.00 0.39 C ATOM 1390 C VAL B 8 14.270 21.967 11.833 1.00 0.36 C ATOM 1391 O VAL B 8 14.543 22.751 12.718 1.00 0.48 O ATOM 1392 CB VAL B 8 12.167 20.629 11.719 1.00 0.50 C ATOM 1393 CG1 VAL B 8 11.935 20.720 13.228 1.00 0.98 C ATOM 1394 CG2 VAL B 8 10.821 20.485 11.006 1.00 1.19 C ATOM 0 H VAL B 8 12.601 21.052 9.295 1.00 0.33 H new ATOM 0 HA VAL B 8 12.289 22.770 11.558 1.00 0.39 H new ATOM 0 HB VAL B 8 12.791 19.764 11.496 1.00 0.50 H new ATOM 0 HG11 VAL B 8 11.438 19.814 13.575 1.00 0.98 H new ATOM 0 HG12 VAL B 8 12.893 20.826 13.738 1.00 0.98 H new ATOM 0 HG13 VAL B 8 11.309 21.585 13.448 1.00 0.98 H new ATOM 0 HG21 VAL B 8 10.323 19.578 11.349 1.00 1.19 H new ATOM 0 HG22 VAL B 8 10.196 21.349 11.231 1.00 1.19 H new ATOM 0 HG23 VAL B 8 10.984 20.425 9.930 1.00 1.19 H new ATOM 1404 N PHE B 9 15.170 21.152 11.352 1.00 0.28 N ATOM 1405 CA PHE B 9 16.561 21.176 11.890 1.00 0.27 C ATOM 1406 C PHE B 9 17.050 22.625 11.938 1.00 0.25 C ATOM 1407 O PHE B 9 17.584 23.078 12.930 1.00 0.32 O ATOM 1408 CB PHE B 9 17.470 20.343 10.975 1.00 0.26 C ATOM 1409 CG PHE B 9 18.712 19.923 11.729 1.00 0.21 C ATOM 1410 CD1 PHE B 9 19.683 20.875 12.060 1.00 0.23 C ATOM 1411 CD2 PHE B 9 18.893 18.582 12.097 1.00 0.18 C ATOM 1412 CE1 PHE B 9 20.831 20.488 12.757 1.00 0.23 C ATOM 1413 CE2 PHE B 9 20.043 18.197 12.794 1.00 0.18 C ATOM 1414 CZ PHE B 9 21.011 19.151 13.123 1.00 0.20 C ATOM 0 H PHE B 9 15.003 20.472 10.611 1.00 0.28 H new ATOM 0 HA PHE B 9 16.584 20.754 12.895 1.00 0.27 H new ATOM 0 HB2 PHE B 9 16.935 19.463 10.619 1.00 0.26 H new ATOM 0 HB3 PHE B 9 17.747 20.924 10.096 1.00 0.26 H new ATOM 0 HD1 PHE B 9 19.545 21.908 11.777 1.00 0.23 H new ATOM 0 HD2 PHE B 9 18.144 17.846 11.842 1.00 0.18 H new ATOM 0 HE1 PHE B 9 21.580 21.223 13.013 1.00 0.23 H new ATOM 0 HE2 PHE B 9 20.183 17.164 13.078 1.00 0.18 H new ATOM 0 HZ PHE B 9 21.899 18.854 13.661 1.00 0.20 H new ATOM 1424 N LEU B 10 16.859 23.356 10.877 1.00 0.23 N ATOM 1425 CA LEU B 10 17.300 24.775 10.869 1.00 0.23 C ATOM 1426 C LEU B 10 16.549 25.531 11.964 1.00 0.24 C ATOM 1427 O LEU B 10 17.073 26.438 12.580 1.00 0.28 O ATOM 1428 CB LEU B 10 16.992 25.398 9.509 1.00 0.25 C ATOM 1429 CG LEU B 10 17.473 24.463 8.394 1.00 0.24 C ATOM 1430 CD1 LEU B 10 17.322 25.164 7.043 1.00 0.30 C ATOM 1431 CD2 LEU B 10 18.947 24.098 8.618 1.00 0.23 C ATOM 0 H LEU B 10 16.417 23.032 10.017 1.00 0.23 H new ATOM 0 HA LEU B 10 18.373 24.832 11.052 1.00 0.23 H new ATOM 0 HB2 LEU B 10 15.921 25.574 9.413 1.00 0.25 H new ATOM 0 HB3 LEU B 10 17.483 26.367 9.422 1.00 0.25 H new ATOM 0 HG LEU B 10 16.873 23.553 8.405 1.00 0.24 H new ATOM 0 HD11 LEU B 10 17.664 24.500 6.249 1.00 0.30 H new ATOM 0 HD12 LEU B 10 16.274 25.417 6.879 1.00 0.30 H new ATOM 0 HD13 LEU B 10 17.920 26.075 7.037 1.00 0.30 H new ATOM 0 HD21 LEU B 10 19.282 23.433 7.822 1.00 0.23 H new ATOM 0 HD22 LEU B 10 19.551 25.005 8.612 1.00 0.23 H new ATOM 0 HD23 LEU B 10 19.055 23.596 9.579 1.00 0.23 H new ATOM 1443 N ASP B 11 15.326 25.157 12.220 1.00 0.23 N ATOM 1444 CA ASP B 11 14.549 25.848 13.285 1.00 0.25 C ATOM 1445 C ASP B 11 15.352 25.794 14.585 1.00 0.22 C ATOM 1446 O ASP B 11 15.694 26.807 15.158 1.00 0.30 O ATOM 1447 CB ASP B 11 13.197 25.149 13.479 1.00 0.30 C ATOM 1448 CG ASP B 11 12.237 26.082 14.221 1.00 0.97 C ATOM 1449 OD1 ASP B 11 12.216 27.258 13.896 1.00 1.67 O ATOM 1450 OD2 ASP B 11 11.539 25.605 15.101 1.00 1.67 O ATOM 0 H ASP B 11 14.833 24.405 11.739 1.00 0.23 H new ATOM 0 HA ASP B 11 14.369 26.885 13.001 1.00 0.25 H new ATOM 0 HB2 ASP B 11 12.777 24.873 12.512 1.00 0.30 H new ATOM 0 HB3 ASP B 11 13.331 24.226 14.043 1.00 0.30 H new ATOM 1455 N TYR B 12 15.667 24.616 15.050 1.00 0.17 N ATOM 1456 CA TYR B 12 16.459 24.502 16.304 1.00 0.15 C ATOM 1457 C TYR B 12 17.710 25.365 16.178 1.00 0.16 C ATOM 1458 O TYR B 12 17.991 26.199 17.015 1.00 0.23 O ATOM 1459 CB TYR B 12 16.863 23.038 16.522 1.00 0.14 C ATOM 1460 CG TYR B 12 15.631 22.208 16.825 1.00 0.17 C ATOM 1461 CD1 TYR B 12 14.878 22.468 17.975 1.00 0.23 C ATOM 1462 CD2 TYR B 12 15.241 21.181 15.955 1.00 0.20 C ATOM 1463 CE1 TYR B 12 13.740 21.704 18.257 1.00 0.27 C ATOM 1464 CE2 TYR B 12 14.103 20.416 16.237 1.00 0.24 C ATOM 1465 CZ TYR B 12 13.351 20.679 17.388 1.00 0.27 C ATOM 1466 OH TYR B 12 12.228 19.927 17.666 1.00 0.32 O ATOM 0 H TYR B 12 15.410 23.730 14.615 1.00 0.17 H new ATOM 0 HA TYR B 12 15.863 24.839 17.152 1.00 0.15 H new ATOM 0 HB2 TYR B 12 17.364 22.653 15.634 1.00 0.14 H new ATOM 0 HB3 TYR B 12 17.574 22.965 17.345 1.00 0.14 H new ATOM 0 HD1 TYR B 12 15.176 23.260 18.646 1.00 0.23 H new ATOM 0 HD2 TYR B 12 15.819 20.979 15.065 1.00 0.20 H new ATOM 0 HE1 TYR B 12 13.161 21.906 19.146 1.00 0.27 H new ATOM 0 HE2 TYR B 12 13.805 19.623 15.567 1.00 0.24 H new ATOM 0 HH TYR B 12 12.099 19.259 16.961 1.00 0.32 H new ATOM 1476 N CYS B 13 18.459 25.176 15.128 1.00 0.19 N ATOM 1477 CA CYS B 13 19.690 25.987 14.926 1.00 0.24 C ATOM 1478 C CYS B 13 19.364 27.458 15.170 1.00 0.26 C ATOM 1479 O CYS B 13 20.098 28.169 15.826 1.00 0.33 O ATOM 1480 CB CYS B 13 20.184 25.809 13.492 1.00 0.30 C ATOM 1481 SG CYS B 13 20.774 24.115 13.257 1.00 1.27 S ATOM 0 H CYS B 13 18.269 24.490 14.397 1.00 0.19 H new ATOM 0 HA CYS B 13 20.464 25.661 15.620 1.00 0.24 H new ATOM 0 HB2 CYS B 13 19.378 26.025 12.790 1.00 0.30 H new ATOM 0 HB3 CYS B 13 20.987 26.516 13.283 1.00 0.30 H new ATOM 0 HG CYS B 13 21.801 23.903 14.025 1.00 1.27 H new ATOM 1487 N GLN B 14 18.254 27.917 14.655 1.00 0.24 N ATOM 1488 CA GLN B 14 17.865 29.335 14.865 1.00 0.27 C ATOM 1489 C GLN B 14 17.998 29.665 16.352 1.00 0.24 C ATOM 1490 O GLN B 14 18.790 30.497 16.745 1.00 0.29 O ATOM 1491 CB GLN B 14 16.413 29.528 14.420 1.00 0.32 C ATOM 1492 CG GLN B 14 16.125 31.014 14.217 1.00 0.62 C ATOM 1493 CD GLN B 14 16.750 31.487 12.904 1.00 0.88 C ATOM 1494 OE1 GLN B 14 16.384 31.023 11.843 1.00 1.69 O ATOM 1495 NE2 GLN B 14 17.683 32.400 12.931 1.00 1.44 N ATOM 0 H GLN B 14 17.601 27.367 14.097 1.00 0.24 H new ATOM 0 HA GLN B 14 18.510 29.994 14.284 1.00 0.27 H new ATOM 0 HB2 GLN B 14 16.232 28.984 13.493 1.00 0.32 H new ATOM 0 HB3 GLN B 14 15.736 29.116 15.169 1.00 0.32 H new ATOM 0 HG2 GLN B 14 15.049 31.187 14.201 1.00 0.62 H new ATOM 0 HG3 GLN B 14 16.528 31.589 15.050 1.00 0.62 H new ATOM 0 HE21 GLN B 14 17.990 32.789 13.822 1.00 1.44 H new ATOM 0 HE22 GLN B 14 18.105 32.724 12.061 1.00 1.44 H new ATOM 1504 N LYS B 15 17.238 29.004 17.184 1.00 0.23 N ATOM 1505 CA LYS B 15 17.331 29.270 18.645 1.00 0.23 C ATOM 1506 C LYS B 15 18.804 29.246 19.061 1.00 0.20 C ATOM 1507 O LYS B 15 19.335 30.220 19.556 1.00 0.23 O ATOM 1508 CB LYS B 15 16.552 28.192 19.405 1.00 0.24 C ATOM 1509 CG LYS B 15 15.054 28.354 19.114 1.00 0.55 C ATOM 1510 CD LYS B 15 14.215 27.432 20.022 1.00 1.19 C ATOM 1511 CE LYS B 15 14.055 26.055 19.372 1.00 1.47 C ATOM 1512 NZ LYS B 15 13.321 25.151 20.301 1.00 2.21 N ATOM 0 H LYS B 15 16.559 28.293 16.914 1.00 0.23 H new ATOM 0 HA LYS B 15 16.906 30.246 18.878 1.00 0.23 H new ATOM 0 HB2 LYS B 15 16.889 27.201 19.102 1.00 0.24 H new ATOM 0 HB3 LYS B 15 16.738 28.278 20.476 1.00 0.24 H new ATOM 0 HG2 LYS B 15 14.759 29.392 19.270 1.00 0.55 H new ATOM 0 HG3 LYS B 15 14.855 28.120 18.068 1.00 0.55 H new ATOM 0 HD2 LYS B 15 14.697 27.330 20.994 1.00 1.19 H new ATOM 0 HD3 LYS B 15 13.235 27.876 20.197 1.00 1.19 H new ATOM 0 HE2 LYS B 15 13.512 26.146 18.431 1.00 1.47 H new ATOM 0 HE3 LYS B 15 15.033 25.636 19.137 1.00 1.47 H new ATOM 0 HZ1 LYS B 15 13.212 24.215 19.861 1.00 2.21 H new ATOM 0 HZ2 LYS B 15 13.856 25.056 21.188 1.00 2.21 H new ATOM 0 HZ3 LYS B 15 12.382 25.550 20.504 1.00 2.21 H new ATOM 1526 N LEU B 16 19.475 28.149 18.842 1.00 0.18 N ATOM 1527 CA LEU B 16 20.919 28.070 19.202 1.00 0.17 C ATOM 1528 C LEU B 16 21.634 29.308 18.645 1.00 0.18 C ATOM 1529 O LEU B 16 22.652 29.736 19.152 1.00 0.23 O ATOM 1530 CB LEU B 16 21.508 26.785 18.574 1.00 0.15 C ATOM 1531 CG LEU B 16 22.456 26.076 19.557 1.00 0.15 C ATOM 1532 CD1 LEU B 16 21.651 25.416 20.701 1.00 0.25 C ATOM 1533 CD2 LEU B 16 23.262 25.019 18.789 1.00 0.18 C ATOM 0 H LEU B 16 19.085 27.302 18.428 1.00 0.18 H new ATOM 0 HA LEU B 16 21.050 28.039 20.284 1.00 0.17 H new ATOM 0 HB2 LEU B 16 20.700 26.110 18.292 1.00 0.15 H new ATOM 0 HB3 LEU B 16 22.047 27.036 17.661 1.00 0.15 H new ATOM 0 HG LEU B 16 23.136 26.803 20.001 1.00 0.15 H new ATOM 0 HD11 LEU B 16 22.336 24.919 21.388 1.00 0.25 H new ATOM 0 HD12 LEU B 16 21.089 26.180 21.238 1.00 0.25 H new ATOM 0 HD13 LEU B 16 20.960 24.684 20.284 1.00 0.25 H new ATOM 0 HD21 LEU B 16 23.939 24.508 19.474 1.00 0.18 H new ATOM 0 HD22 LEU B 16 22.580 24.294 18.345 1.00 0.18 H new ATOM 0 HD23 LEU B 16 23.840 25.503 18.002 1.00 0.18 H new ATOM 1545 N LEU B 17 21.103 29.871 17.595 1.00 0.17 N ATOM 1546 CA LEU B 17 21.735 31.070 16.976 1.00 0.19 C ATOM 1547 C LEU B 17 21.294 32.338 17.719 1.00 0.22 C ATOM 1548 O LEU B 17 22.108 33.072 18.244 1.00 0.30 O ATOM 1549 CB LEU B 17 21.306 31.138 15.500 1.00 0.19 C ATOM 1550 CG LEU B 17 22.357 31.887 14.656 1.00 0.22 C ATOM 1551 CD1 LEU B 17 23.566 30.981 14.358 1.00 0.14 C ATOM 1552 CD2 LEU B 17 21.722 32.330 13.327 1.00 0.33 C ATOM 0 H LEU B 17 20.251 29.549 17.136 1.00 0.17 H new ATOM 0 HA LEU B 17 22.821 30.998 17.041 1.00 0.19 H new ATOM 0 HB2 LEU B 17 21.171 30.129 15.109 1.00 0.19 H new ATOM 0 HB3 LEU B 17 20.343 31.642 15.420 1.00 0.19 H new ATOM 0 HG LEU B 17 22.699 32.755 15.220 1.00 0.22 H new ATOM 0 HD11 LEU B 17 24.294 31.531 13.762 1.00 0.14 H new ATOM 0 HD12 LEU B 17 24.026 30.669 15.295 1.00 0.14 H new ATOM 0 HD13 LEU B 17 23.234 30.102 13.806 1.00 0.14 H new ATOM 0 HD21 LEU B 17 22.463 32.860 12.728 1.00 0.33 H new ATOM 0 HD22 LEU B 17 21.373 31.454 12.780 1.00 0.33 H new ATOM 0 HD23 LEU B 17 20.879 32.991 13.529 1.00 0.33 H new ATOM 1564 N GLU B 18 20.017 32.602 17.768 1.00 0.20 N ATOM 1565 CA GLU B 18 19.540 33.826 18.478 1.00 0.24 C ATOM 1566 C GLU B 18 19.742 33.636 19.983 1.00 0.22 C ATOM 1567 O GLU B 18 20.204 34.520 20.677 1.00 0.26 O ATOM 1568 CB GLU B 18 18.042 34.079 18.174 1.00 0.30 C ATOM 1569 CG GLU B 18 17.640 33.381 16.867 1.00 1.05 C ATOM 1570 CD GLU B 18 16.397 34.056 16.275 1.00 1.67 C ATOM 1571 OE1 GLU B 18 15.506 34.386 17.041 1.00 2.29 O ATOM 1572 OE2 GLU B 18 16.358 34.229 15.069 1.00 2.17 O ATOM 0 H GLU B 18 19.285 32.027 17.350 1.00 0.20 H new ATOM 0 HA GLU B 18 20.110 34.689 18.133 1.00 0.24 H new ATOM 0 HB2 GLU B 18 17.429 33.709 18.996 1.00 0.30 H new ATOM 0 HB3 GLU B 18 17.855 35.150 18.095 1.00 0.30 H new ATOM 0 HG2 GLU B 18 18.463 33.425 16.153 1.00 1.05 H new ATOM 0 HG3 GLU B 18 17.437 32.327 17.055 1.00 1.05 H new ATOM 1579 N LYS B 19 19.397 32.485 20.489 1.00 0.19 N ATOM 1580 CA LYS B 19 19.567 32.232 21.949 1.00 0.20 C ATOM 1581 C LYS B 19 20.982 32.641 22.364 1.00 0.19 C ATOM 1582 O LYS B 19 21.171 33.398 23.295 1.00 0.26 O ATOM 1583 CB LYS B 19 19.334 30.745 22.238 1.00 0.21 C ATOM 1584 CG LYS B 19 19.137 30.520 23.745 1.00 0.29 C ATOM 1585 CD LYS B 19 18.456 29.167 23.978 1.00 0.33 C ATOM 1586 CE LYS B 19 19.378 28.034 23.523 1.00 0.95 C ATOM 1587 NZ LYS B 19 18.921 26.754 24.134 1.00 1.68 N ATOM 0 H LYS B 19 19.005 31.709 19.956 1.00 0.19 H new ATOM 0 HA LYS B 19 18.845 32.817 22.518 1.00 0.20 H new ATOM 0 HB2 LYS B 19 18.457 30.395 21.693 1.00 0.21 H new ATOM 0 HB3 LYS B 19 20.184 30.161 21.884 1.00 0.21 H new ATOM 0 HG2 LYS B 19 20.100 30.547 24.256 1.00 0.29 H new ATOM 0 HG3 LYS B 19 18.530 31.321 24.166 1.00 0.29 H new ATOM 0 HD2 LYS B 19 18.215 29.049 25.034 1.00 0.33 H new ATOM 0 HD3 LYS B 19 17.515 29.124 23.429 1.00 0.33 H new ATOM 0 HE2 LYS B 19 19.368 27.956 22.436 1.00 0.95 H new ATOM 0 HE3 LYS B 19 20.406 28.245 23.818 1.00 0.95 H new ATOM 0 HZ1 LYS B 19 19.664 26.034 24.028 1.00 1.68 H new ATOM 0 HZ2 LYS B 19 18.724 26.902 25.144 1.00 1.68 H new ATOM 0 HZ3 LYS B 19 18.055 26.431 23.657 1.00 1.68 H new ATOM 1601 N PHE B 20 21.977 32.168 21.665 1.00 0.15 N ATOM 1602 CA PHE B 20 23.372 32.554 22.003 1.00 0.15 C ATOM 1603 C PHE B 20 23.632 33.947 21.421 1.00 0.16 C ATOM 1604 O PHE B 20 24.721 34.479 21.508 1.00 0.25 O ATOM 1605 CB PHE B 20 24.340 31.538 21.387 1.00 0.14 C ATOM 1606 CG PHE B 20 24.460 30.329 22.290 1.00 0.13 C ATOM 1607 CD1 PHE B 20 23.441 29.369 22.295 1.00 0.14 C ATOM 1608 CD2 PHE B 20 25.583 30.164 23.119 1.00 0.14 C ATOM 1609 CE1 PHE B 20 23.538 28.247 23.123 1.00 0.14 C ATOM 1610 CE2 PHE B 20 25.677 29.038 23.948 1.00 0.15 C ATOM 1611 CZ PHE B 20 24.655 28.081 23.949 1.00 0.14 C ATOM 0 H PHE B 20 21.882 31.531 20.874 1.00 0.15 H new ATOM 0 HA PHE B 20 23.519 32.568 23.083 1.00 0.15 H new ATOM 0 HB2 PHE B 20 23.984 31.234 20.403 1.00 0.14 H new ATOM 0 HB3 PHE B 20 25.319 31.995 21.245 1.00 0.14 H new ATOM 0 HD1 PHE B 20 22.578 29.496 21.658 1.00 0.14 H new ATOM 0 HD2 PHE B 20 26.371 30.903 23.117 1.00 0.14 H new ATOM 0 HE1 PHE B 20 22.750 27.508 23.125 1.00 0.14 H new ATOM 0 HE2 PHE B 20 26.538 28.908 24.587 1.00 0.15 H new ATOM 0 HZ PHE B 20 24.729 27.214 24.588 1.00 0.14 H new ATOM 1621 N ARG B 21 22.620 34.536 20.838 1.00 0.15 N ATOM 1622 CA ARG B 21 22.754 35.902 20.248 1.00 0.17 C ATOM 1623 C ARG B 21 23.779 35.919 19.105 1.00 0.14 C ATOM 1624 O ARG B 21 24.513 36.873 18.945 1.00 0.18 O ATOM 1625 CB ARG B 21 23.189 36.892 21.334 1.00 0.23 C ATOM 1626 CG ARG B 21 22.361 36.655 22.600 1.00 0.58 C ATOM 1627 CD ARG B 21 22.530 37.839 23.555 1.00 1.16 C ATOM 1628 NE ARG B 21 23.978 38.225 23.643 1.00 1.87 N ATOM 1629 CZ ARG B 21 24.897 37.365 23.993 1.00 2.62 C ATOM 1630 NH1 ARG B 21 24.565 36.190 24.454 1.00 2.94 N ATOM 1631 NH2 ARG B 21 26.156 37.703 23.933 1.00 3.56 N ATOM 0 H ARG B 21 21.693 34.122 20.744 1.00 0.15 H new ATOM 0 HA ARG B 21 21.784 36.192 19.844 1.00 0.17 H new ATOM 0 HB2 ARG B 21 24.250 36.767 21.551 1.00 0.23 H new ATOM 0 HB3 ARG B 21 23.054 37.915 20.984 1.00 0.23 H new ATOM 0 HG2 ARG B 21 21.310 36.531 22.341 1.00 0.58 H new ATOM 0 HG3 ARG B 21 22.680 35.734 23.087 1.00 0.58 H new ATOM 0 HD2 ARG B 21 21.940 38.686 23.205 1.00 1.16 H new ATOM 0 HD3 ARG B 21 22.155 37.576 24.544 1.00 1.16 H new ATOM 0 HE ARG B 21 24.251 39.183 23.424 1.00 1.87 H new ATOM 0 HH11 ARG B 21 23.581 35.937 24.543 1.00 2.94 H new ATOM 0 HH12 ARG B 21 25.290 35.525 24.725 1.00 2.94 H new ATOM 0 HH21 ARG B 21 26.419 38.635 23.614 1.00 3.56 H new ATOM 0 HH22 ARG B 21 26.877 37.035 24.205 1.00 3.56 H new ATOM 1645 N TYR B 22 23.834 34.890 18.294 1.00 0.14 N ATOM 1646 CA TYR B 22 24.813 34.892 17.161 1.00 0.13 C ATOM 1647 C TYR B 22 24.140 35.523 15.916 1.00 0.15 C ATOM 1648 O TYR B 22 22.939 35.418 15.768 1.00 0.16 O ATOM 1649 CB TYR B 22 25.210 33.444 16.824 1.00 0.12 C ATOM 1650 CG TYR B 22 26.288 32.938 17.772 1.00 0.13 C ATOM 1651 CD1 TYR B 22 27.520 33.609 17.887 1.00 0.14 C ATOM 1652 CD2 TYR B 22 26.055 31.785 18.535 1.00 0.14 C ATOM 1653 CE1 TYR B 22 28.502 33.126 18.759 1.00 0.17 C ATOM 1654 CE2 TYR B 22 27.039 31.306 19.405 1.00 0.17 C ATOM 1655 CZ TYR B 22 28.261 31.976 19.518 1.00 0.18 C ATOM 1656 OH TYR B 22 29.231 31.502 20.375 1.00 0.21 O ATOM 0 H TYR B 22 23.250 34.057 18.366 1.00 0.14 H new ATOM 0 HA TYR B 22 25.698 35.462 17.444 1.00 0.13 H new ATOM 0 HB2 TYR B 22 24.334 32.799 16.887 1.00 0.12 H new ATOM 0 HB3 TYR B 22 25.571 33.392 15.797 1.00 0.12 H new ATOM 0 HD1 TYR B 22 27.707 34.497 17.302 1.00 0.14 H new ATOM 0 HD2 TYR B 22 25.112 31.265 18.450 1.00 0.14 H new ATOM 0 HE1 TYR B 22 29.447 33.642 18.846 1.00 0.17 H new ATOM 0 HE2 TYR B 22 26.855 30.417 19.991 1.00 0.17 H new ATOM 0 HH TYR B 22 29.367 30.544 20.218 1.00 0.21 H new ATOM 1666 N PRO B 23 24.919 36.140 15.036 1.00 0.16 N ATOM 1667 CA PRO B 23 24.367 36.744 13.805 1.00 0.18 C ATOM 1668 C PRO B 23 23.745 35.649 12.919 1.00 0.19 C ATOM 1669 O PRO B 23 23.771 34.479 13.247 1.00 0.19 O ATOM 1670 CB PRO B 23 25.571 37.417 13.110 1.00 0.19 C ATOM 1671 CG PRO B 23 26.847 36.977 13.878 1.00 0.17 C ATOM 1672 CD PRO B 23 26.384 36.295 15.185 1.00 0.15 C ATOM 0 HA PRO B 23 23.576 37.466 14.008 1.00 0.18 H new ATOM 0 HB2 PRO B 23 25.629 37.117 12.064 1.00 0.19 H new ATOM 0 HB3 PRO B 23 25.467 38.502 13.125 1.00 0.19 H new ATOM 0 HG2 PRO B 23 27.441 36.290 13.275 1.00 0.17 H new ATOM 0 HG3 PRO B 23 27.480 37.837 14.097 1.00 0.17 H new ATOM 0 HD2 PRO B 23 26.872 35.330 15.321 1.00 0.15 H new ATOM 0 HD3 PRO B 23 26.630 36.902 16.056 1.00 0.15 H new ATOM 1680 N TRP B 24 23.168 36.031 11.811 1.00 0.22 N ATOM 1681 CA TRP B 24 22.517 35.031 10.908 1.00 0.24 C ATOM 1682 C TRP B 24 23.554 34.284 10.046 1.00 0.25 C ATOM 1683 O TRP B 24 23.234 33.297 9.413 1.00 0.34 O ATOM 1684 CB TRP B 24 21.521 35.754 9.990 1.00 0.28 C ATOM 1685 CG TRP B 24 21.003 34.804 8.952 1.00 0.53 C ATOM 1686 CD1 TRP B 24 21.205 34.926 7.619 1.00 1.45 C ATOM 1687 CD2 TRP B 24 20.214 33.591 9.136 1.00 0.35 C ATOM 1688 NE1 TRP B 24 20.591 33.866 6.975 1.00 1.68 N ATOM 1689 CE2 TRP B 24 19.967 33.017 7.866 1.00 0.93 C ATOM 1690 CE3 TRP B 24 19.694 32.939 10.269 1.00 0.96 C ATOM 1691 CZ2 TRP B 24 19.230 31.840 7.725 1.00 0.85 C ATOM 1692 CZ3 TRP B 24 18.953 31.754 10.130 1.00 1.15 C ATOM 1693 CH2 TRP B 24 18.722 31.206 8.861 1.00 0.63 C ATOM 0 H TRP B 24 23.118 36.998 11.489 1.00 0.22 H new ATOM 0 HA TRP B 24 22.002 34.297 11.529 1.00 0.24 H new ATOM 0 HB2 TRP B 24 20.693 36.151 10.578 1.00 0.28 H new ATOM 0 HB3 TRP B 24 22.007 36.603 9.509 1.00 0.28 H new ATOM 0 HD1 TRP B 24 21.755 35.721 7.137 1.00 1.45 H new ATOM 0 HE1 TRP B 24 20.599 33.729 5.964 1.00 1.68 H new ATOM 0 HE3 TRP B 24 19.866 33.352 11.252 1.00 0.96 H new ATOM 0 HZ2 TRP B 24 19.054 31.423 6.745 1.00 0.85 H new ATOM 0 HZ3 TRP B 24 18.559 31.262 11.007 1.00 1.15 H new ATOM 0 HH2 TRP B 24 18.152 30.294 8.762 1.00 0.63 H new ATOM 1704 N GLU B 25 24.772 34.751 9.974 1.00 0.21 N ATOM 1705 CA GLU B 25 25.781 34.062 9.104 1.00 0.24 C ATOM 1706 C GLU B 25 26.415 32.842 9.801 1.00 0.21 C ATOM 1707 O GLU B 25 27.069 32.042 9.163 1.00 0.24 O ATOM 1708 CB GLU B 25 26.868 35.066 8.695 1.00 0.31 C ATOM 1709 CG GLU B 25 27.560 35.647 9.941 1.00 1.20 C ATOM 1710 CD GLU B 25 28.062 37.068 9.652 1.00 1.43 C ATOM 1711 OE1 GLU B 25 28.518 37.300 8.544 1.00 1.86 O ATOM 1712 OE2 GLU B 25 27.979 37.897 10.543 1.00 1.99 O ATOM 0 H GLU B 25 25.114 35.572 10.473 1.00 0.21 H new ATOM 0 HA GLU B 25 25.265 33.690 8.219 1.00 0.24 H new ATOM 0 HB2 GLU B 25 27.604 34.575 8.058 1.00 0.31 H new ATOM 0 HB3 GLU B 25 26.426 35.871 8.108 1.00 0.31 H new ATOM 0 HG2 GLU B 25 26.863 35.663 10.779 1.00 1.20 H new ATOM 0 HG3 GLU B 25 28.395 35.010 10.233 1.00 1.20 H new ATOM 1719 N LEU B 26 26.241 32.679 11.091 1.00 0.16 N ATOM 1720 CA LEU B 26 26.856 31.492 11.784 1.00 0.15 C ATOM 1721 C LEU B 26 25.872 30.322 11.833 1.00 0.15 C ATOM 1722 O LEU B 26 25.915 29.505 12.731 1.00 0.19 O ATOM 1723 CB LEU B 26 27.254 31.862 13.213 1.00 0.13 C ATOM 1724 CG LEU B 26 28.097 33.138 13.215 1.00 0.13 C ATOM 1725 CD1 LEU B 26 28.606 33.395 14.636 1.00 0.14 C ATOM 1726 CD2 LEU B 26 29.292 32.979 12.268 1.00 0.14 C ATOM 0 H LEU B 26 25.707 33.306 11.692 1.00 0.16 H new ATOM 0 HA LEU B 26 27.740 31.196 11.219 1.00 0.15 H new ATOM 0 HB2 LEU B 26 26.361 32.007 13.821 1.00 0.13 H new ATOM 0 HB3 LEU B 26 27.817 31.045 13.664 1.00 0.13 H new ATOM 0 HG LEU B 26 27.487 33.976 12.879 1.00 0.13 H new ATOM 0 HD11 LEU B 26 29.209 34.303 14.648 1.00 0.14 H new ATOM 0 HD12 LEU B 26 27.758 33.513 15.310 1.00 0.14 H new ATOM 0 HD13 LEU B 26 29.214 32.552 14.963 1.00 0.14 H new ATOM 0 HD21 LEU B 26 29.887 33.893 12.276 1.00 0.14 H new ATOM 0 HD22 LEU B 26 29.908 32.142 12.597 1.00 0.14 H new ATOM 0 HD23 LEU B 26 28.932 32.789 11.257 1.00 0.14 H new ATOM 1738 N MET B 27 24.993 30.222 10.878 1.00 0.15 N ATOM 1739 CA MET B 27 24.029 29.097 10.881 1.00 0.17 C ATOM 1740 C MET B 27 24.758 27.743 10.656 1.00 0.14 C ATOM 1741 O MET B 27 24.419 26.775 11.308 1.00 0.19 O ATOM 1742 CB MET B 27 22.963 29.345 9.788 1.00 0.20 C ATOM 1743 CG MET B 27 21.677 29.900 10.414 1.00 0.39 C ATOM 1744 SD MET B 27 20.924 28.639 11.471 1.00 1.31 S ATOM 1745 CE MET B 27 20.005 27.776 10.176 1.00 0.45 C ATOM 0 H MET B 27 24.903 30.872 10.097 1.00 0.15 H new ATOM 0 HA MET B 27 23.539 29.042 11.853 1.00 0.17 H new ATOM 0 HB2 MET B 27 23.348 30.047 9.048 1.00 0.20 H new ATOM 0 HB3 MET B 27 22.748 28.414 9.263 1.00 0.20 H new ATOM 0 HG2 MET B 27 21.901 30.793 10.998 1.00 0.39 H new ATOM 0 HG3 MET B 27 20.979 30.198 9.632 1.00 0.39 H new ATOM 0 HE1 MET B 27 19.386 26.999 10.625 1.00 0.45 H new ATOM 0 HE2 MET B 27 19.369 28.486 9.647 1.00 0.45 H new ATOM 0 HE3 MET B 27 20.705 27.322 9.474 1.00 0.45 H new ATOM 1755 N PRO B 28 25.725 27.684 9.749 1.00 0.09 N ATOM 1756 CA PRO B 28 26.449 26.418 9.481 1.00 0.09 C ATOM 1757 C PRO B 28 27.075 25.851 10.765 1.00 0.09 C ATOM 1758 O PRO B 28 27.187 24.655 10.928 1.00 0.14 O ATOM 1759 CB PRO B 28 27.529 26.796 8.441 1.00 0.10 C ATOM 1760 CG PRO B 28 27.165 28.208 7.913 1.00 0.12 C ATOM 1761 CD PRO B 28 26.178 28.826 8.920 1.00 0.12 C ATOM 0 HA PRO B 28 25.786 25.635 9.112 1.00 0.09 H new ATOM 0 HB2 PRO B 28 28.520 26.796 8.895 1.00 0.10 H new ATOM 0 HB3 PRO B 28 27.552 26.072 7.626 1.00 0.10 H new ATOM 0 HG2 PRO B 28 28.058 28.826 7.819 1.00 0.12 H new ATOM 0 HG3 PRO B 28 26.716 28.145 6.922 1.00 0.12 H new ATOM 0 HD2 PRO B 28 26.660 29.591 9.529 1.00 0.12 H new ATOM 0 HD3 PRO B 28 25.340 29.304 8.412 1.00 0.12 H new ATOM 1769 N LEU B 29 27.488 26.687 11.674 1.00 0.10 N ATOM 1770 CA LEU B 29 28.101 26.159 12.926 1.00 0.09 C ATOM 1771 C LEU B 29 27.004 25.589 13.824 1.00 0.10 C ATOM 1772 O LEU B 29 27.162 24.542 14.421 1.00 0.16 O ATOM 1773 CB LEU B 29 28.849 27.280 13.648 1.00 0.08 C ATOM 1774 CG LEU B 29 29.730 28.028 12.642 1.00 0.09 C ATOM 1775 CD1 LEU B 29 30.582 29.065 13.380 1.00 0.12 C ATOM 1776 CD2 LEU B 29 30.643 27.029 11.911 1.00 0.09 C ATOM 0 H LEU B 29 27.430 27.703 11.608 1.00 0.10 H new ATOM 0 HA LEU B 29 28.810 25.368 12.682 1.00 0.09 H new ATOM 0 HB2 LEU B 29 28.140 27.967 14.110 1.00 0.08 H new ATOM 0 HB3 LEU B 29 29.462 26.867 14.449 1.00 0.08 H new ATOM 0 HG LEU B 29 29.098 28.535 11.913 1.00 0.09 H new ATOM 0 HD11 LEU B 29 31.209 29.597 12.664 1.00 0.12 H new ATOM 0 HD12 LEU B 29 29.931 29.775 13.890 1.00 0.12 H new ATOM 0 HD13 LEU B 29 31.214 28.562 14.112 1.00 0.12 H new ATOM 0 HD21 LEU B 29 31.269 27.564 11.196 1.00 0.09 H new ATOM 0 HD22 LEU B 29 31.276 26.517 12.636 1.00 0.09 H new ATOM 0 HD23 LEU B 29 30.032 26.297 11.382 1.00 0.09 H new ATOM 1788 N MET B 30 25.885 26.251 13.910 1.00 0.10 N ATOM 1789 CA MET B 30 24.782 25.722 14.752 1.00 0.12 C ATOM 1790 C MET B 30 24.242 24.456 14.087 1.00 0.10 C ATOM 1791 O MET B 30 23.598 23.633 14.707 1.00 0.13 O ATOM 1792 CB MET B 30 23.670 26.768 14.850 1.00 0.16 C ATOM 1793 CG MET B 30 24.069 27.843 15.861 1.00 0.19 C ATOM 1794 SD MET B 30 25.608 28.635 15.322 1.00 1.23 S ATOM 1795 CE MET B 30 26.424 28.703 16.936 1.00 0.22 C ATOM 0 H MET B 30 25.688 27.132 13.435 1.00 0.10 H new ATOM 0 HA MET B 30 25.143 25.496 15.755 1.00 0.12 H new ATOM 0 HB2 MET B 30 23.494 27.219 13.874 1.00 0.16 H new ATOM 0 HB3 MET B 30 22.737 26.295 15.156 1.00 0.16 H new ATOM 0 HG2 MET B 30 23.277 28.586 15.950 1.00 0.19 H new ATOM 0 HG3 MET B 30 24.202 27.399 16.847 1.00 0.19 H new ATOM 0 HE1 MET B 30 27.281 29.375 16.883 1.00 0.22 H new ATOM 0 HE2 MET B 30 25.721 29.070 17.684 1.00 0.22 H new ATOM 0 HE3 MET B 30 26.762 27.705 17.215 1.00 0.22 H new ATOM 1805 N TYR B 31 24.510 24.304 12.819 1.00 0.08 N ATOM 1806 CA TYR B 31 24.029 23.103 12.081 1.00 0.08 C ATOM 1807 C TYR B 31 24.883 21.890 12.465 1.00 0.08 C ATOM 1808 O TYR B 31 24.378 20.803 12.666 1.00 0.09 O ATOM 1809 CB TYR B 31 24.142 23.365 10.574 1.00 0.09 C ATOM 1810 CG TYR B 31 23.868 22.097 9.800 1.00 0.09 C ATOM 1811 CD1 TYR B 31 22.562 21.787 9.403 1.00 0.10 C ATOM 1812 CD2 TYR B 31 24.923 21.238 9.472 1.00 0.10 C ATOM 1813 CE1 TYR B 31 22.311 20.616 8.678 1.00 0.11 C ATOM 1814 CE2 TYR B 31 24.672 20.068 8.746 1.00 0.11 C ATOM 1815 CZ TYR B 31 23.366 19.757 8.349 1.00 0.11 C ATOM 1816 OH TYR B 31 23.119 18.603 7.632 1.00 0.13 O ATOM 0 H TYR B 31 25.046 24.966 12.259 1.00 0.08 H new ATOM 0 HA TYR B 31 22.989 22.901 12.339 1.00 0.08 H new ATOM 0 HB2 TYR B 31 23.434 24.140 10.279 1.00 0.09 H new ATOM 0 HB3 TYR B 31 25.139 23.736 10.336 1.00 0.09 H new ATOM 0 HD1 TYR B 31 21.748 22.451 9.656 1.00 0.10 H new ATOM 0 HD2 TYR B 31 25.930 21.478 9.779 1.00 0.10 H new ATOM 0 HE1 TYR B 31 21.303 20.375 8.373 1.00 0.11 H new ATOM 0 HE2 TYR B 31 25.486 19.405 8.492 1.00 0.11 H new ATOM 0 HH TYR B 31 23.960 18.121 7.487 1.00 0.13 H new ATOM 1826 N VAL B 32 26.174 22.064 12.569 1.00 0.08 N ATOM 1827 CA VAL B 32 27.052 20.918 12.940 1.00 0.08 C ATOM 1828 C VAL B 32 26.875 20.602 14.427 1.00 0.08 C ATOM 1829 O VAL B 32 26.633 19.475 14.808 1.00 0.10 O ATOM 1830 CB VAL B 32 28.516 21.276 12.652 1.00 0.08 C ATOM 1831 CG1 VAL B 32 29.414 20.090 13.020 1.00 0.08 C ATOM 1832 CG2 VAL B 32 28.675 21.598 11.158 1.00 0.08 C ATOM 0 H VAL B 32 26.657 22.949 12.413 1.00 0.08 H new ATOM 0 HA VAL B 32 26.778 20.043 12.351 1.00 0.08 H new ATOM 0 HB VAL B 32 28.804 22.144 13.245 1.00 0.08 H new ATOM 0 HG11 VAL B 32 30.454 20.344 12.816 1.00 0.08 H new ATOM 0 HG12 VAL B 32 29.298 19.861 14.079 1.00 0.08 H new ATOM 0 HG13 VAL B 32 29.130 19.221 12.427 1.00 0.08 H new ATOM 0 HG21 VAL B 32 29.714 21.853 10.949 1.00 0.08 H new ATOM 0 HG22 VAL B 32 28.389 20.729 10.566 1.00 0.08 H new ATOM 0 HG23 VAL B 32 28.035 22.441 10.897 1.00 0.08 H new ATOM 1842 N ILE B 33 26.989 21.586 15.273 1.00 0.08 N ATOM 1843 CA ILE B 33 26.823 21.339 16.732 1.00 0.08 C ATOM 1844 C ILE B 33 25.558 20.491 16.976 1.00 0.09 C ATOM 1845 O ILE B 33 25.623 19.429 17.563 1.00 0.10 O ATOM 1846 CB ILE B 33 26.732 22.694 17.443 1.00 0.08 C ATOM 1847 CG1 ILE B 33 28.099 23.384 17.345 1.00 0.09 C ATOM 1848 CG2 ILE B 33 26.365 22.493 18.913 1.00 0.09 C ATOM 1849 CD1 ILE B 33 28.021 24.828 17.856 1.00 0.08 C ATOM 0 H ILE B 33 27.190 22.553 15.017 1.00 0.08 H new ATOM 0 HA ILE B 33 27.674 20.785 17.128 1.00 0.08 H new ATOM 0 HB ILE B 33 25.963 23.307 16.973 1.00 0.08 H new ATOM 0 HG12 ILE B 33 28.834 22.828 17.926 1.00 0.09 H new ATOM 0 HG13 ILE B 33 28.440 23.378 16.310 1.00 0.09 H new ATOM 0 HG21 ILE B 33 26.303 23.462 19.408 1.00 0.09 H new ATOM 0 HG22 ILE B 33 25.401 21.988 18.982 1.00 0.09 H new ATOM 0 HG23 ILE B 33 27.128 21.885 19.399 1.00 0.09 H new ATOM 0 HD11 ILE B 33 29.002 25.296 17.776 1.00 0.08 H new ATOM 0 HD12 ILE B 33 27.303 25.388 17.257 1.00 0.08 H new ATOM 0 HD13 ILE B 33 27.703 24.828 18.898 1.00 0.08 H new ATOM 1861 N LEU B 34 24.416 20.938 16.517 1.00 0.08 N ATOM 1862 CA LEU B 34 23.155 20.148 16.704 1.00 0.09 C ATOM 1863 C LEU B 34 23.309 18.771 16.020 1.00 0.12 C ATOM 1864 O LEU B 34 22.703 17.799 16.427 1.00 0.16 O ATOM 1865 CB LEU B 34 21.986 20.944 16.046 1.00 0.10 C ATOM 1866 CG LEU B 34 21.027 21.675 17.059 1.00 0.10 C ATOM 1867 CD1 LEU B 34 21.661 21.938 18.437 1.00 0.10 C ATOM 1868 CD2 LEU B 34 20.601 23.020 16.453 1.00 0.11 C ATOM 0 H LEU B 34 24.300 21.820 16.018 1.00 0.08 H new ATOM 0 HA LEU B 34 22.950 19.992 17.763 1.00 0.09 H new ATOM 0 HB2 LEU B 34 22.408 21.686 15.368 1.00 0.10 H new ATOM 0 HB3 LEU B 34 21.395 20.258 15.440 1.00 0.10 H new ATOM 0 HG LEU B 34 20.179 21.010 17.222 1.00 0.10 H new ATOM 0 HD11 LEU B 34 20.940 22.444 19.079 1.00 0.10 H new ATOM 0 HD12 LEU B 34 21.949 20.990 18.892 1.00 0.10 H new ATOM 0 HD13 LEU B 34 22.544 22.566 18.317 1.00 0.10 H new ATOM 0 HD21 LEU B 34 19.936 23.537 17.145 1.00 0.11 H new ATOM 0 HD22 LEU B 34 21.484 23.633 16.272 1.00 0.11 H new ATOM 0 HD23 LEU B 34 20.080 22.846 15.511 1.00 0.11 H new ATOM 1880 N LYS B 35 24.095 18.680 14.985 1.00 0.13 N ATOM 1881 CA LYS B 35 24.253 17.367 14.286 1.00 0.17 C ATOM 1882 C LYS B 35 24.780 16.296 15.249 1.00 0.19 C ATOM 1883 O LYS B 35 24.320 15.172 15.241 1.00 0.28 O ATOM 1884 CB LYS B 35 25.226 17.523 13.114 1.00 0.16 C ATOM 1885 CG LYS B 35 25.106 16.307 12.191 1.00 0.19 C ATOM 1886 CD LYS B 35 26.055 16.467 11.002 1.00 0.26 C ATOM 1887 CE LYS B 35 26.006 15.204 10.141 1.00 0.70 C ATOM 1888 NZ LYS B 35 26.887 15.377 8.952 1.00 1.58 N ATOM 0 H LYS B 35 24.634 19.451 14.591 1.00 0.13 H new ATOM 0 HA LYS B 35 23.277 17.053 13.917 1.00 0.17 H new ATOM 0 HB2 LYS B 35 25.005 18.436 12.562 1.00 0.16 H new ATOM 0 HB3 LYS B 35 26.247 17.614 13.484 1.00 0.16 H new ATOM 0 HG2 LYS B 35 25.346 15.396 12.740 1.00 0.19 H new ATOM 0 HG3 LYS B 35 24.080 16.206 11.838 1.00 0.19 H new ATOM 0 HD2 LYS B 35 25.770 17.336 10.409 1.00 0.26 H new ATOM 0 HD3 LYS B 35 27.072 16.641 11.355 1.00 0.26 H new ATOM 0 HE2 LYS B 35 26.329 14.341 10.724 1.00 0.70 H new ATOM 0 HE3 LYS B 35 24.982 15.008 9.823 1.00 0.70 H new ATOM 0 HZ1 LYS B 35 26.853 14.518 8.367 1.00 1.58 H new ATOM 0 HZ2 LYS B 35 26.559 16.190 8.392 1.00 1.58 H new ATOM 0 HZ3 LYS B 35 27.864 15.544 9.266 1.00 1.58 H new ATOM 1902 N ASP B 36 25.747 16.618 16.066 1.00 0.23 N ATOM 1903 CA ASP B 36 26.298 15.594 17.007 1.00 0.28 C ATOM 1904 C ASP B 36 25.486 15.564 18.303 1.00 0.26 C ATOM 1905 O ASP B 36 25.327 14.530 18.920 1.00 0.39 O ATOM 1906 CB ASP B 36 27.753 15.931 17.324 1.00 0.34 C ATOM 1907 CG ASP B 36 28.600 15.709 16.070 1.00 1.23 C ATOM 1908 OD1 ASP B 36 28.134 16.055 14.997 1.00 1.96 O ATOM 1909 OD2 ASP B 36 29.698 15.192 16.201 1.00 1.92 O ATOM 0 H ASP B 36 26.179 17.540 16.124 1.00 0.23 H new ATOM 0 HA ASP B 36 26.238 14.613 16.535 1.00 0.28 H new ATOM 0 HB2 ASP B 36 27.836 16.966 17.656 1.00 0.34 H new ATOM 0 HB3 ASP B 36 28.116 15.305 18.139 1.00 0.34 H new ATOM 1914 N ALA B 37 24.980 16.686 18.730 1.00 0.21 N ATOM 1915 CA ALA B 37 24.191 16.711 19.992 1.00 0.21 C ATOM 1916 C ALA B 37 22.788 16.171 19.739 1.00 0.20 C ATOM 1917 O ALA B 37 21.825 16.642 20.311 1.00 0.24 O ATOM 1918 CB ALA B 37 24.083 18.149 20.481 1.00 0.22 C ATOM 0 H ALA B 37 25.078 17.586 18.260 1.00 0.21 H new ATOM 0 HA ALA B 37 24.688 16.093 20.739 1.00 0.21 H new ATOM 0 HB1 ALA B 37 23.506 18.177 21.406 1.00 0.22 H new ATOM 0 HB2 ALA B 37 25.081 18.547 20.664 1.00 0.22 H new ATOM 0 HB3 ALA B 37 23.584 18.754 19.724 1.00 0.22 H new ATOM 1924 N ASP B 38 22.650 15.200 18.883 1.00 0.20 N ATOM 1925 CA ASP B 38 21.292 14.663 18.603 1.00 0.21 C ATOM 1926 C ASP B 38 20.371 15.843 18.284 1.00 0.18 C ATOM 1927 O ASP B 38 19.165 15.770 18.416 1.00 0.21 O ATOM 1928 CB ASP B 38 20.782 13.907 19.841 1.00 0.28 C ATOM 1929 CG ASP B 38 19.763 12.843 19.420 1.00 1.00 C ATOM 1930 OD1 ASP B 38 20.178 11.727 19.151 1.00 1.86 O ATOM 1931 OD2 ASP B 38 18.587 13.163 19.374 1.00 1.59 O ATOM 0 H ASP B 38 23.412 14.758 18.369 1.00 0.20 H new ATOM 0 HA ASP B 38 21.314 13.974 17.759 1.00 0.21 H new ATOM 0 HB2 ASP B 38 21.617 13.437 20.361 1.00 0.28 H new ATOM 0 HB3 ASP B 38 20.323 14.605 20.541 1.00 0.28 H new ATOM 1936 N ALA B 39 20.956 16.935 17.880 1.00 0.14 N ATOM 1937 CA ALA B 39 20.169 18.150 17.560 1.00 0.14 C ATOM 1938 C ALA B 39 19.402 18.606 18.800 1.00 0.15 C ATOM 1939 O ALA B 39 18.555 19.474 18.733 1.00 0.18 O ATOM 1940 CB ALA B 39 19.194 17.861 16.425 1.00 0.16 C ATOM 0 H ALA B 39 21.964 17.035 17.757 1.00 0.14 H new ATOM 0 HA ALA B 39 20.849 18.941 17.245 1.00 0.14 H new ATOM 0 HB1 ALA B 39 18.622 18.761 16.199 1.00 0.16 H new ATOM 0 HB2 ALA B 39 19.748 17.551 15.539 1.00 0.16 H new ATOM 0 HB3 ALA B 39 18.514 17.064 16.724 1.00 0.16 H new ATOM 1946 N ASN B 40 19.700 18.037 19.935 1.00 0.15 N ATOM 1947 CA ASN B 40 18.996 18.453 21.180 1.00 0.18 C ATOM 1948 C ASN B 40 19.648 19.738 21.693 1.00 0.15 C ATOM 1949 O ASN B 40 20.695 19.708 22.310 1.00 0.15 O ATOM 1950 CB ASN B 40 19.115 17.339 22.233 1.00 0.23 C ATOM 1951 CG ASN B 40 17.967 17.446 23.243 1.00 0.91 C ATOM 1952 OD1 ASN B 40 17.192 16.523 23.400 1.00 1.90 O ATOM 1953 ND2 ASN B 40 17.823 18.542 23.938 1.00 1.32 N ATOM 0 H ASN B 40 20.399 17.304 20.054 1.00 0.15 H new ATOM 0 HA ASN B 40 17.939 18.630 20.980 1.00 0.18 H new ATOM 0 HB2 ASN B 40 19.092 16.364 21.747 1.00 0.23 H new ATOM 0 HB3 ASN B 40 20.072 17.416 22.749 1.00 0.23 H new ATOM 0 HD21 ASN B 40 17.061 18.623 24.611 1.00 1.32 H new ATOM 0 HD22 ASN B 40 18.472 19.318 23.808 1.00 1.32 H new ATOM 1960 N ILE B 41 19.049 20.867 21.423 1.00 0.15 N ATOM 1961 CA ILE B 41 19.642 22.159 21.873 1.00 0.15 C ATOM 1962 C ILE B 41 20.130 22.043 23.321 1.00 0.15 C ATOM 1963 O ILE B 41 21.218 22.471 23.649 1.00 0.14 O ATOM 1964 CB ILE B 41 18.593 23.276 21.742 1.00 0.19 C ATOM 1965 CG1 ILE B 41 18.461 23.633 20.250 1.00 0.21 C ATOM 1966 CG2 ILE B 41 19.026 24.514 22.569 1.00 0.21 C ATOM 1967 CD1 ILE B 41 17.379 24.696 20.050 1.00 0.24 C ATOM 0 H ILE B 41 18.172 20.950 20.909 1.00 0.15 H new ATOM 0 HA ILE B 41 20.499 22.402 21.245 1.00 0.15 H new ATOM 0 HB ILE B 41 17.630 22.942 22.127 1.00 0.19 H new ATOM 0 HG12 ILE B 41 19.415 24.000 19.872 1.00 0.21 H new ATOM 0 HG13 ILE B 41 18.213 22.740 19.676 1.00 0.21 H new ATOM 0 HG21 ILE B 41 18.276 25.299 22.469 1.00 0.21 H new ATOM 0 HG22 ILE B 41 19.122 24.235 23.618 1.00 0.21 H new ATOM 0 HG23 ILE B 41 19.985 24.880 22.202 1.00 0.21 H new ATOM 0 HD11 ILE B 41 17.298 24.938 18.990 1.00 0.24 H new ATOM 0 HD12 ILE B 41 16.423 24.315 20.409 1.00 0.24 H new ATOM 0 HD13 ILE B 41 17.644 25.594 20.608 1.00 0.24 H new ATOM 1979 N GLU B 42 19.350 21.466 24.188 1.00 0.17 N ATOM 1980 CA GLU B 42 19.799 21.331 25.599 1.00 0.17 C ATOM 1981 C GLU B 42 21.200 20.724 25.612 1.00 0.16 C ATOM 1982 O GLU B 42 22.145 21.333 26.065 1.00 0.18 O ATOM 1983 CB GLU B 42 18.833 20.421 26.361 1.00 0.20 C ATOM 1984 CG GLU B 42 17.418 20.999 26.277 1.00 0.30 C ATOM 1985 CD GLU B 42 16.415 19.981 26.822 1.00 1.03 C ATOM 1986 OE1 GLU B 42 16.304 19.878 28.033 1.00 1.65 O ATOM 1987 OE2 GLU B 42 15.775 19.321 26.020 1.00 1.78 O ATOM 0 H GLU B 42 18.427 21.084 23.983 1.00 0.17 H new ATOM 0 HA GLU B 42 19.816 22.309 26.079 1.00 0.17 H new ATOM 0 HB2 GLU B 42 18.853 19.416 25.939 1.00 0.20 H new ATOM 0 HB3 GLU B 42 19.142 20.335 27.403 1.00 0.20 H new ATOM 0 HG2 GLU B 42 17.358 21.925 26.848 1.00 0.30 H new ATOM 0 HG3 GLU B 42 17.176 21.246 25.243 1.00 0.30 H new ATOM 1994 N GLU B 43 21.340 19.536 25.095 1.00 0.16 N ATOM 1995 CA GLU B 43 22.680 18.887 25.060 1.00 0.16 C ATOM 1996 C GLU B 43 23.674 19.801 24.341 1.00 0.14 C ATOM 1997 O GLU B 43 24.715 20.139 24.869 1.00 0.20 O ATOM 1998 CB GLU B 43 22.581 17.556 24.312 1.00 0.18 C ATOM 1999 CG GLU B 43 23.938 16.850 24.334 1.00 0.30 C ATOM 2000 CD GLU B 43 23.760 15.392 23.908 1.00 1.21 C ATOM 2001 OE1 GLU B 43 22.786 15.108 23.230 1.00 1.96 O ATOM 2002 OE2 GLU B 43 24.600 14.583 24.267 1.00 1.89 O ATOM 0 H GLU B 43 20.582 18.984 24.694 1.00 0.16 H new ATOM 0 HA GLU B 43 23.023 18.709 26.079 1.00 0.16 H new ATOM 0 HB2 GLU B 43 21.824 16.923 24.775 1.00 0.18 H new ATOM 0 HB3 GLU B 43 22.267 17.729 23.283 1.00 0.18 H new ATOM 0 HG2 GLU B 43 24.633 17.354 23.663 1.00 0.30 H new ATOM 0 HG3 GLU B 43 24.369 16.898 25.334 1.00 0.30 H new ATOM 2009 N ALA B 44 23.365 20.204 23.137 1.00 0.12 N ATOM 2010 CA ALA B 44 24.300 21.092 22.390 1.00 0.12 C ATOM 2011 C ALA B 44 24.634 22.318 23.251 1.00 0.12 C ATOM 2012 O ALA B 44 25.776 22.719 23.360 1.00 0.14 O ATOM 2013 CB ALA B 44 23.647 21.533 21.064 1.00 0.13 C ATOM 0 H ALA B 44 22.509 19.957 22.641 1.00 0.12 H new ATOM 0 HA ALA B 44 25.220 20.552 22.166 1.00 0.12 H new ATOM 0 HB1 ALA B 44 24.332 22.182 20.519 1.00 0.13 H new ATOM 0 HB2 ALA B 44 23.422 20.654 20.459 1.00 0.13 H new ATOM 0 HB3 ALA B 44 22.725 22.074 21.275 1.00 0.13 H new ATOM 2019 N SER B 45 23.647 22.917 23.855 1.00 0.12 N ATOM 2020 CA SER B 45 23.909 24.119 24.698 1.00 0.16 C ATOM 2021 C SER B 45 24.995 23.800 25.729 1.00 0.15 C ATOM 2022 O SER B 45 25.906 24.576 25.940 1.00 0.16 O ATOM 2023 CB SER B 45 22.624 24.530 25.418 1.00 0.19 C ATOM 2024 OG SER B 45 22.394 23.650 26.509 1.00 0.82 O ATOM 0 H SER B 45 22.670 22.628 23.802 1.00 0.12 H new ATOM 0 HA SER B 45 24.246 24.938 24.062 1.00 0.16 H new ATOM 0 HB2 SER B 45 22.706 25.557 25.775 1.00 0.19 H new ATOM 0 HB3 SER B 45 21.781 24.499 24.728 1.00 0.19 H new ATOM 0 HG SER B 45 22.169 22.759 26.169 1.00 0.82 H new ATOM 2030 N ARG B 46 24.912 22.667 26.374 1.00 0.17 N ATOM 2031 CA ARG B 46 25.949 22.316 27.386 1.00 0.20 C ATOM 2032 C ARG B 46 27.328 22.319 26.713 1.00 0.17 C ATOM 2033 O ARG B 46 28.343 22.461 27.366 1.00 0.23 O ATOM 2034 CB ARG B 46 25.658 20.920 27.977 1.00 0.24 C ATOM 2035 CG ARG B 46 24.653 21.010 29.134 1.00 0.84 C ATOM 2036 CD ARG B 46 23.227 21.107 28.592 1.00 1.21 C ATOM 2037 NE ARG B 46 22.289 21.002 29.730 1.00 1.63 N ATOM 2038 CZ ARG B 46 21.049 21.387 29.599 1.00 2.08 C ATOM 2039 NH1 ARG B 46 20.640 21.896 28.469 1.00 2.50 N ATOM 2040 NH2 ARG B 46 20.220 21.271 30.601 1.00 2.80 N ATOM 0 H ARG B 46 24.175 21.973 26.245 1.00 0.17 H new ATOM 0 HA ARG B 46 25.933 23.049 28.193 1.00 0.20 H new ATOM 0 HB2 ARG B 46 25.264 20.267 27.199 1.00 0.24 H new ATOM 0 HB3 ARG B 46 26.586 20.471 28.331 1.00 0.24 H new ATOM 0 HG2 ARG B 46 24.747 20.133 29.775 1.00 0.84 H new ATOM 0 HG3 ARG B 46 24.875 21.881 29.751 1.00 0.84 H new ATOM 0 HD2 ARG B 46 23.084 22.052 28.068 1.00 1.21 H new ATOM 0 HD3 ARG B 46 23.040 20.311 27.871 1.00 1.21 H new ATOM 0 HE ARG B 46 22.613 20.627 30.622 1.00 1.63 H new ATOM 0 HH11 ARG B 46 21.289 21.993 27.688 1.00 2.50 H new ATOM 0 HH12 ARG B 46 19.671 22.197 28.366 1.00 2.50 H new ATOM 0 HH21 ARG B 46 20.542 20.879 31.486 1.00 2.80 H new ATOM 0 HH22 ARG B 46 19.251 21.572 30.499 1.00 2.80 H new ATOM 2054 N ARG B 47 27.378 22.169 25.415 1.00 0.13 N ATOM 2055 CA ARG B 47 28.698 22.171 24.718 1.00 0.12 C ATOM 2056 C ARG B 47 29.135 23.614 24.466 1.00 0.11 C ATOM 2057 O ARG B 47 30.159 24.060 24.945 1.00 0.12 O ATOM 2058 CB ARG B 47 28.578 21.447 23.377 1.00 0.15 C ATOM 2059 CG ARG B 47 27.873 20.103 23.572 1.00 0.32 C ATOM 2060 CD ARG B 47 27.943 19.295 22.271 1.00 0.54 C ATOM 2061 NE ARG B 47 27.521 17.892 22.539 1.00 0.95 N ATOM 2062 CZ ARG B 47 27.222 17.096 21.548 1.00 1.20 C ATOM 2063 NH1 ARG B 47 27.282 17.531 20.319 1.00 1.81 N ATOM 2064 NH2 ARG B 47 26.862 15.865 21.787 1.00 1.62 N ATOM 0 H ARG B 47 26.566 22.046 24.810 1.00 0.13 H new ATOM 0 HA ARG B 47 29.433 21.662 25.342 1.00 0.12 H new ATOM 0 HB2 ARG B 47 28.019 22.061 22.671 1.00 0.15 H new ATOM 0 HB3 ARG B 47 29.568 21.290 22.949 1.00 0.15 H new ATOM 0 HG2 ARG B 47 28.344 19.548 24.383 1.00 0.32 H new ATOM 0 HG3 ARG B 47 26.833 20.264 23.857 1.00 0.32 H new ATOM 0 HD2 ARG B 47 27.297 19.743 21.516 1.00 0.54 H new ATOM 0 HD3 ARG B 47 28.958 19.312 21.873 1.00 0.54 H new ATOM 0 HE ARG B 47 27.465 17.552 23.499 1.00 0.95 H new ATOM 0 HH11 ARG B 47 27.563 18.494 20.132 1.00 1.81 H new ATOM 0 HH12 ARG B 47 27.048 16.908 19.546 1.00 1.81 H new ATOM 0 HH21 ARG B 47 26.814 15.525 22.747 1.00 1.62 H new ATOM 0 HH22 ARG B 47 26.628 15.243 21.013 1.00 1.62 H new ATOM 2078 N ILE B 48 28.358 24.347 23.720 1.00 0.10 N ATOM 2079 CA ILE B 48 28.711 25.767 23.433 1.00 0.09 C ATOM 2080 C ILE B 48 29.040 26.473 24.746 1.00 0.10 C ATOM 2081 O ILE B 48 30.116 27.008 24.924 1.00 0.10 O ATOM 2082 CB ILE B 48 27.526 26.452 22.758 1.00 0.10 C ATOM 2083 CG1 ILE B 48 27.083 25.609 21.558 1.00 0.10 C ATOM 2084 CG2 ILE B 48 27.956 27.841 22.282 1.00 0.10 C ATOM 2085 CD1 ILE B 48 25.940 26.309 20.826 1.00 0.10 C ATOM 0 H ILE B 48 27.489 24.023 23.294 1.00 0.10 H new ATOM 0 HA ILE B 48 29.576 25.811 22.771 1.00 0.09 H new ATOM 0 HB ILE B 48 26.698 26.550 23.460 1.00 0.10 H new ATOM 0 HG12 ILE B 48 27.922 25.457 20.879 1.00 0.10 H new ATOM 0 HG13 ILE B 48 26.762 24.623 21.894 1.00 0.10 H new ATOM 0 HG21 ILE B 48 27.114 28.337 21.798 1.00 0.10 H new ATOM 0 HG22 ILE B 48 28.284 28.433 23.136 1.00 0.10 H new ATOM 0 HG23 ILE B 48 28.777 27.744 21.571 1.00 0.10 H new ATOM 0 HD11 ILE B 48 25.630 25.705 19.974 1.00 0.10 H new ATOM 0 HD12 ILE B 48 25.098 26.438 21.506 1.00 0.10 H new ATOM 0 HD13 ILE B 48 26.276 27.285 20.475 1.00 0.10 H new ATOM 2097 N GLU B 49 28.125 26.465 25.673 1.00 0.10 N ATOM 2098 CA GLU B 49 28.382 27.121 26.986 1.00 0.11 C ATOM 2099 C GLU B 49 29.724 26.641 27.525 1.00 0.11 C ATOM 2100 O GLU B 49 30.647 27.409 27.710 1.00 0.12 O ATOM 2101 CB GLU B 49 27.290 26.708 27.963 1.00 0.13 C ATOM 2102 CG GLU B 49 26.007 27.492 27.676 1.00 0.14 C ATOM 2103 CD GLU B 49 26.139 28.914 28.226 1.00 0.16 C ATOM 2104 OE1 GLU B 49 25.930 29.090 29.415 1.00 1.07 O ATOM 2105 OE2 GLU B 49 26.447 29.803 27.449 1.00 1.10 O ATOM 0 H GLU B 49 27.207 26.031 25.579 1.00 0.10 H new ATOM 0 HA GLU B 49 28.392 28.204 26.865 1.00 0.11 H new ATOM 0 HB2 GLU B 49 27.099 25.638 27.877 1.00 0.13 H new ATOM 0 HB3 GLU B 49 27.617 26.892 28.986 1.00 0.13 H new ATOM 0 HG2 GLU B 49 25.820 27.523 26.603 1.00 0.14 H new ATOM 0 HG3 GLU B 49 25.153 26.992 28.134 1.00 0.14 H new ATOM 2112 N GLU B 50 29.842 25.363 27.759 1.00 0.12 N ATOM 2113 CA GLU B 50 31.128 24.819 28.262 1.00 0.12 C ATOM 2114 C GLU B 50 32.218 25.280 27.308 1.00 0.11 C ATOM 2115 O GLU B 50 33.379 25.337 27.643 1.00 0.11 O ATOM 2116 CB GLU B 50 31.070 23.290 28.288 1.00 0.14 C ATOM 2117 CG GLU B 50 32.279 22.744 29.051 1.00 0.17 C ATOM 2118 CD GLU B 50 32.085 22.977 30.550 1.00 1.14 C ATOM 2119 OE1 GLU B 50 31.039 23.485 30.920 1.00 1.97 O ATOM 2120 OE2 GLU B 50 32.986 22.645 31.303 1.00 1.78 O ATOM 0 H GLU B 50 29.102 24.675 27.623 1.00 0.12 H new ATOM 0 HA GLU B 50 31.328 25.170 29.274 1.00 0.12 H new ATOM 0 HB2 GLU B 50 30.147 22.959 28.764 1.00 0.14 H new ATOM 0 HB3 GLU B 50 31.062 22.899 27.271 1.00 0.14 H new ATOM 0 HG2 GLU B 50 32.398 21.679 28.850 1.00 0.17 H new ATOM 0 HG3 GLU B 50 33.190 23.237 28.711 1.00 0.17 H new ATOM 2127 N GLY B 51 31.828 25.629 26.116 1.00 0.10 N ATOM 2128 CA GLY B 51 32.824 26.114 25.115 1.00 0.09 C ATOM 2129 C GLY B 51 33.162 27.569 25.434 1.00 0.09 C ATOM 2130 O GLY B 51 34.304 27.923 25.647 1.00 0.10 O ATOM 0 H GLY B 51 30.862 25.600 25.788 1.00 0.10 H new ATOM 0 HA2 GLY B 51 33.724 25.500 25.148 1.00 0.09 H new ATOM 0 HA3 GLY B 51 32.419 26.032 24.107 1.00 0.09 H new ATOM 2134 N GLN B 52 32.165 28.411 25.491 1.00 0.10 N ATOM 2135 CA GLN B 52 32.404 29.845 25.824 1.00 0.11 C ATOM 2136 C GLN B 52 33.292 29.912 27.056 1.00 0.11 C ATOM 2137 O GLN B 52 34.248 30.659 27.116 1.00 0.13 O ATOM 2138 CB GLN B 52 31.061 30.514 26.115 1.00 0.13 C ATOM 2139 CG GLN B 52 30.154 30.362 24.892 1.00 0.19 C ATOM 2140 CD GLN B 52 30.646 31.286 23.780 1.00 0.54 C ATOM 2141 OE1 GLN B 52 31.514 32.109 23.996 1.00 1.37 O ATOM 2142 NE2 GLN B 52 30.125 31.187 22.590 1.00 0.74 N ATOM 0 H GLN B 52 31.190 28.165 25.320 1.00 0.10 H new ATOM 0 HA GLN B 52 32.890 30.357 24.994 1.00 0.11 H new ATOM 0 HB2 GLN B 52 30.595 30.058 26.989 1.00 0.13 H new ATOM 0 HB3 GLN B 52 31.208 31.569 26.346 1.00 0.13 H new ATOM 0 HG2 GLN B 52 30.157 29.327 24.549 1.00 0.19 H new ATOM 0 HG3 GLN B 52 29.125 30.607 25.155 1.00 0.19 H new ATOM 0 HE21 GLN B 52 29.397 30.497 22.408 1.00 0.74 H new ATOM 0 HE22 GLN B 52 30.446 31.800 21.840 1.00 0.74 H new ATOM 2151 N TYR B 53 32.985 29.117 28.035 1.00 0.11 N ATOM 2152 CA TYR B 53 33.815 29.107 29.269 1.00 0.13 C ATOM 2153 C TYR B 53 35.249 28.693 28.900 1.00 0.13 C ATOM 2154 O TYR B 53 36.204 29.327 29.301 1.00 0.16 O ATOM 2155 CB TYR B 53 33.214 28.127 30.296 1.00 0.14 C ATOM 2156 CG TYR B 53 34.261 27.748 31.322 1.00 0.17 C ATOM 2157 CD1 TYR B 53 35.186 26.749 31.017 1.00 0.17 C ATOM 2158 CD2 TYR B 53 34.320 28.404 32.556 1.00 0.22 C ATOM 2159 CE1 TYR B 53 36.173 26.396 31.938 1.00 0.22 C ATOM 2160 CE2 TYR B 53 35.310 28.055 33.484 1.00 0.26 C ATOM 2161 CZ TYR B 53 36.238 27.050 33.174 1.00 0.25 C ATOM 2162 OH TYR B 53 37.214 26.705 34.086 1.00 0.30 O ATOM 0 H TYR B 53 32.195 28.472 28.037 1.00 0.11 H new ATOM 0 HA TYR B 53 33.832 30.101 29.716 1.00 0.13 H new ATOM 0 HB2 TYR B 53 32.357 28.585 30.790 1.00 0.14 H new ATOM 0 HB3 TYR B 53 32.849 27.234 29.789 1.00 0.14 H new ATOM 0 HD1 TYR B 53 35.138 26.246 30.063 1.00 0.17 H new ATOM 0 HD2 TYR B 53 33.604 29.177 32.793 1.00 0.22 H new ATOM 0 HE1 TYR B 53 36.885 25.620 31.698 1.00 0.22 H new ATOM 0 HE2 TYR B 53 35.359 28.560 34.438 1.00 0.26 H new ATOM 0 HH TYR B 53 37.119 27.255 34.891 1.00 0.30 H new ATOM 2172 N VAL B 54 35.412 27.637 28.145 1.00 0.11 N ATOM 2173 CA VAL B 54 36.794 27.207 27.773 1.00 0.12 C ATOM 2174 C VAL B 54 37.536 28.395 27.165 1.00 0.12 C ATOM 2175 O VAL B 54 38.502 28.887 27.713 1.00 0.13 O ATOM 2176 CB VAL B 54 36.756 26.068 26.737 1.00 0.11 C ATOM 2177 CG1 VAL B 54 38.199 25.724 26.345 1.00 0.13 C ATOM 2178 CG2 VAL B 54 36.055 24.804 27.313 1.00 0.12 C ATOM 0 H VAL B 54 34.658 27.059 27.773 1.00 0.11 H new ATOM 0 HA VAL B 54 37.300 26.851 28.670 1.00 0.12 H new ATOM 0 HB VAL B 54 36.187 26.396 25.867 1.00 0.11 H new ATOM 0 HG11 VAL B 54 38.194 24.918 25.611 1.00 0.13 H new ATOM 0 HG12 VAL B 54 38.679 26.603 25.916 1.00 0.13 H new ATOM 0 HG13 VAL B 54 38.750 25.406 27.230 1.00 0.13 H new ATOM 0 HG21 VAL B 54 36.044 24.018 26.558 1.00 0.12 H new ATOM 0 HG22 VAL B 54 36.598 24.456 28.192 1.00 0.12 H new ATOM 0 HG23 VAL B 54 35.031 25.052 27.594 1.00 0.12 H new ATOM 2188 N VAL B 55 37.085 28.859 26.035 1.00 0.11 N ATOM 2189 CA VAL B 55 37.753 30.016 25.382 1.00 0.11 C ATOM 2190 C VAL B 55 37.904 31.141 26.405 1.00 0.14 C ATOM 2191 O VAL B 55 38.988 31.637 26.647 1.00 0.17 O ATOM 2192 CB VAL B 55 36.900 30.485 24.198 1.00 0.11 C ATOM 2193 CG1 VAL B 55 37.638 31.583 23.428 1.00 0.13 C ATOM 2194 CG2 VAL B 55 36.642 29.297 23.264 1.00 0.10 C ATOM 0 H VAL B 55 36.279 28.485 25.534 1.00 0.11 H new ATOM 0 HA VAL B 55 38.739 29.729 25.017 1.00 0.11 H new ATOM 0 HB VAL B 55 35.954 30.880 24.567 1.00 0.11 H new ATOM 0 HG11 VAL B 55 37.027 31.912 22.588 1.00 0.13 H new ATOM 0 HG12 VAL B 55 37.828 32.427 24.091 1.00 0.13 H new ATOM 0 HG13 VAL B 55 38.585 31.193 23.056 1.00 0.13 H new ATOM 0 HG21 VAL B 55 36.036 29.623 22.419 1.00 0.10 H new ATOM 0 HG22 VAL B 55 37.593 28.908 22.899 1.00 0.10 H new ATOM 0 HG23 VAL B 55 36.114 28.514 23.808 1.00 0.10 H new ATOM 2204 N ASN B 56 36.826 31.541 27.015 1.00 0.16 N ATOM 2205 CA ASN B 56 36.903 32.626 28.032 1.00 0.20 C ATOM 2206 C ASN B 56 37.926 32.239 29.103 1.00 0.22 C ATOM 2207 O ASN B 56 38.689 33.058 29.574 1.00 0.31 O ATOM 2208 CB ASN B 56 35.529 32.815 28.680 1.00 0.26 C ATOM 2209 CG ASN B 56 35.543 34.068 29.555 1.00 0.52 C ATOM 2210 OD1 ASN B 56 34.545 34.416 30.155 1.00 1.35 O ATOM 2211 ND2 ASN B 56 36.639 34.766 29.652 1.00 0.91 N ATOM 0 H ASN B 56 35.892 31.163 26.854 1.00 0.16 H new ATOM 0 HA ASN B 56 37.208 33.557 27.554 1.00 0.20 H new ATOM 0 HB2 ASN B 56 34.762 32.905 27.911 1.00 0.26 H new ATOM 0 HB3 ASN B 56 35.276 31.942 29.282 1.00 0.26 H new ATOM 0 HD21 ASN B 56 36.660 35.605 30.232 1.00 0.91 H new ATOM 0 HD22 ASN B 56 37.476 34.473 29.148 1.00 0.91 H new ATOM 2218 N GLU B 57 37.947 30.991 29.488 1.00 0.19 N ATOM 2219 CA GLU B 57 38.920 30.543 30.525 1.00 0.22 C ATOM 2220 C GLU B 57 40.322 30.493 29.915 1.00 0.22 C ATOM 2221 O GLU B 57 41.249 31.100 30.413 1.00 0.27 O ATOM 2222 CB GLU B 57 38.524 29.148 31.023 1.00 0.25 C ATOM 2223 CG GLU B 57 39.369 28.766 32.246 1.00 0.55 C ATOM 2224 CD GLU B 57 40.787 28.391 31.805 1.00 1.65 C ATOM 2225 OE1 GLU B 57 40.953 28.023 30.654 1.00 2.39 O ATOM 2226 OE2 GLU B 57 41.684 28.479 32.628 1.00 2.43 O ATOM 0 H GLU B 57 37.331 30.262 29.128 1.00 0.19 H new ATOM 0 HA GLU B 57 38.914 31.241 31.362 1.00 0.22 H new ATOM 0 HB2 GLU B 57 37.466 29.133 31.283 1.00 0.25 H new ATOM 0 HB3 GLU B 57 38.667 28.415 30.229 1.00 0.25 H new ATOM 0 HG2 GLU B 57 39.406 29.599 32.948 1.00 0.55 H new ATOM 0 HG3 GLU B 57 38.908 27.928 32.770 1.00 0.55 H new ATOM 2233 N TYR B 58 40.485 29.773 28.839 1.00 0.20 N ATOM 2234 CA TYR B 58 41.827 29.685 28.199 1.00 0.24 C ATOM 2235 C TYR B 58 42.368 31.100 27.968 1.00 0.24 C ATOM 2236 O TYR B 58 43.557 31.306 27.829 1.00 0.33 O ATOM 2237 CB TYR B 58 41.700 28.923 26.866 1.00 0.29 C ATOM 2238 CG TYR B 58 42.863 29.253 25.949 1.00 0.97 C ATOM 2239 CD1 TYR B 58 44.163 28.881 26.308 1.00 0.61 C ATOM 2240 CD2 TYR B 58 42.636 29.936 24.747 1.00 2.18 C ATOM 2241 CE1 TYR B 58 45.238 29.191 25.466 1.00 1.22 C ATOM 2242 CE2 TYR B 58 43.711 30.245 23.903 1.00 2.88 C ATOM 2243 CZ TYR B 58 45.012 29.873 24.264 1.00 2.36 C ATOM 2244 OH TYR B 58 46.073 30.178 23.435 1.00 3.06 O ATOM 0 H TYR B 58 39.747 29.242 28.376 1.00 0.20 H new ATOM 0 HA TYR B 58 42.521 29.148 28.845 1.00 0.24 H new ATOM 0 HB2 TYR B 58 41.673 27.850 27.056 1.00 0.29 H new ATOM 0 HB3 TYR B 58 40.761 29.185 26.379 1.00 0.29 H new ATOM 0 HD1 TYR B 58 44.337 28.355 27.235 1.00 0.61 H new ATOM 0 HD2 TYR B 58 41.632 30.224 24.471 1.00 2.18 H new ATOM 0 HE1 TYR B 58 46.242 28.904 25.744 1.00 1.22 H new ATOM 0 HE2 TYR B 58 43.536 30.769 22.975 1.00 2.88 H new ATOM 0 HH TYR B 58 45.743 30.651 22.642 1.00 3.06 H new ATOM 2254 N SER B 59 41.504 32.070 27.926 1.00 0.27 N ATOM 2255 CA SER B 59 41.963 33.468 27.706 1.00 0.34 C ATOM 2256 C SER B 59 42.511 34.036 29.017 1.00 0.37 C ATOM 2257 O SER B 59 43.554 34.658 29.047 1.00 0.52 O ATOM 2258 CB SER B 59 40.782 34.315 27.233 1.00 0.41 C ATOM 2259 OG SER B 59 40.509 34.019 25.869 1.00 1.45 O ATOM 0 H SER B 59 40.496 31.956 28.035 1.00 0.27 H new ATOM 0 HA SER B 59 42.749 33.484 26.951 1.00 0.34 H new ATOM 0 HB2 SER B 59 39.904 34.109 27.845 1.00 0.41 H new ATOM 0 HB3 SER B 59 41.010 35.375 27.349 1.00 0.41 H new ATOM 0 HG SER B 59 39.957 33.211 25.814 1.00 1.45 H new ATOM 2265 N ARG B 60 41.817 33.827 30.102 1.00 0.42 N ATOM 2266 CA ARG B 60 42.300 34.356 31.409 1.00 0.54 C ATOM 2267 C ARG B 60 43.501 33.533 31.881 1.00 0.61 C ATOM 2268 O ARG B 60 44.230 33.936 32.765 1.00 0.78 O ATOM 2269 CB ARG B 60 41.177 34.261 32.447 1.00 0.66 C ATOM 2270 CG ARG B 60 40.040 35.223 32.075 1.00 0.93 C ATOM 2271 CD ARG B 60 39.147 35.467 33.295 1.00 1.26 C ATOM 2272 NE ARG B 60 38.902 34.175 34.018 1.00 1.94 N ATOM 2273 CZ ARG B 60 38.385 33.139 33.412 1.00 2.56 C ATOM 2274 NH1 ARG B 60 37.902 33.251 32.206 1.00 2.77 N ATOM 2275 NH2 ARG B 60 38.305 31.997 34.038 1.00 3.52 N ATOM 0 H ARG B 60 40.937 33.313 30.140 1.00 0.42 H new ATOM 0 HA ARG B 60 42.597 35.398 31.290 1.00 0.54 H new ATOM 0 HB2 ARG B 60 40.800 33.239 32.495 1.00 0.66 H new ATOM 0 HB3 ARG B 60 41.563 34.505 33.437 1.00 0.66 H new ATOM 0 HG2 ARG B 60 40.452 36.168 31.720 1.00 0.93 H new ATOM 0 HG3 ARG B 60 39.450 34.805 31.259 1.00 0.93 H new ATOM 0 HD2 ARG B 60 39.621 36.184 33.965 1.00 1.26 H new ATOM 0 HD3 ARG B 60 38.199 35.903 32.981 1.00 1.26 H new ATOM 0 HE ARG B 60 39.145 34.104 35.006 1.00 1.94 H new ATOM 0 HH11 ARG B 60 37.926 34.152 31.729 1.00 2.77 H new ATOM 0 HH12 ARG B 60 37.500 32.438 31.740 1.00 2.77 H new ATOM 0 HH21 ARG B 60 38.645 31.916 34.996 1.00 3.52 H new ATOM 0 HH22 ARG B 60 37.902 31.186 33.569 1.00 3.52 H new ATOM 2289 N GLN B 61 43.715 32.385 31.299 1.00 0.61 N ATOM 2290 CA GLN B 61 44.873 31.547 31.719 1.00 0.76 C ATOM 2291 C GLN B 61 46.168 32.200 31.231 1.00 0.85 C ATOM 2292 O GLN B 61 47.253 31.826 31.629 1.00 1.06 O ATOM 2293 CB GLN B 61 44.741 30.147 31.110 1.00 0.79 C ATOM 2294 CG GLN B 61 45.798 29.223 31.719 1.00 1.26 C ATOM 2295 CD GLN B 61 45.551 27.786 31.258 1.00 1.65 C ATOM 2296 OE1 GLN B 61 44.465 27.264 31.412 1.00 2.28 O ATOM 2297 NE2 GLN B 61 46.522 27.118 30.696 1.00 2.31 N ATOM 0 H GLN B 61 43.140 31.992 30.553 1.00 0.61 H new ATOM 0 HA GLN B 61 44.892 31.465 32.806 1.00 0.76 H new ATOM 0 HB2 GLN B 61 43.744 29.750 31.298 1.00 0.79 H new ATOM 0 HB3 GLN B 61 44.866 30.196 30.028 1.00 0.79 H new ATOM 0 HG2 GLN B 61 46.795 29.546 31.418 1.00 1.26 H new ATOM 0 HG3 GLN B 61 45.760 29.278 32.807 1.00 1.26 H new ATOM 0 HE21 GLN B 61 47.434 27.556 30.566 1.00 2.31 H new ATOM 0 HE22 GLN B 61 46.368 26.158 30.386 1.00 2.31 H new ATOM 2306 N HIS B 62 46.056 33.182 30.371 1.00 0.79 N ATOM 2307 CA HIS B 62 47.268 33.883 29.840 1.00 0.97 C ATOM 2308 C HIS B 62 47.052 35.395 29.925 1.00 1.01 C ATOM 2309 O HIS B 62 47.932 36.176 29.622 1.00 1.27 O ATOM 2310 CB HIS B 62 47.485 33.478 28.377 1.00 1.05 C ATOM 2311 CG HIS B 62 48.103 32.107 28.318 1.00 1.28 C ATOM 2312 ND1 HIS B 62 47.340 30.957 28.165 1.00 1.77 N ATOM 2313 CD2 HIS B 62 49.409 31.685 28.390 1.00 1.57 C ATOM 2314 CE1 HIS B 62 48.184 29.908 28.151 1.00 1.97 C ATOM 2315 NE2 HIS B 62 49.452 30.300 28.285 1.00 1.83 N ATOM 0 H HIS B 62 45.168 33.532 30.010 1.00 0.79 H new ATOM 0 HA HIS B 62 48.143 33.606 30.428 1.00 0.97 H new ATOM 0 HB2 HIS B 62 46.535 33.483 27.843 1.00 1.05 H new ATOM 0 HB3 HIS B 62 48.133 34.201 27.881 1.00 1.05 H new ATOM 0 HD2 HIS B 62 50.268 32.329 28.510 1.00 1.57 H new ATOM 0 HE1 HIS B 62 47.874 28.879 28.045 1.00 1.97 H new ATOM 0 HE2 HIS B 62 50.281 29.706 28.306 1.00 1.83 H new ATOM 2323 N ASN B 63 45.888 35.816 30.339 1.00 1.00 N ATOM 2324 CA ASN B 63 45.620 37.277 30.446 1.00 1.16 C ATOM 2325 C ASN B 63 46.016 37.969 29.139 1.00 1.28 C ATOM 2326 O ASN B 63 46.981 38.705 29.085 1.00 1.86 O ATOM 2327 CB ASN B 63 46.441 37.860 31.599 1.00 1.33 C ATOM 2328 CG ASN B 63 45.840 37.417 32.935 1.00 1.93 C ATOM 2329 OD1 ASN B 63 46.243 37.887 33.980 1.00 2.59 O ATOM 2330 ND2 ASN B 63 44.886 36.527 32.947 1.00 2.66 N ATOM 0 H ASN B 63 45.112 35.211 30.607 1.00 1.00 H new ATOM 0 HA ASN B 63 44.558 37.438 30.634 1.00 1.16 H new ATOM 0 HB2 ASN B 63 47.476 37.526 31.526 1.00 1.33 H new ATOM 0 HB3 ASN B 63 46.452 38.948 31.537 1.00 1.33 H new ATOM 0 HD21 ASN B 63 44.480 36.227 33.833 1.00 2.66 H new ATOM 0 HD22 ASN B 63 44.547 36.131 32.070 1.00 2.66 H new ATOM 2337 N LEU B 64 45.280 37.743 28.084 1.00 1.29 N ATOM 2338 CA LEU B 64 45.621 38.396 26.788 1.00 1.43 C ATOM 2339 C LEU B 64 45.386 39.904 26.905 1.00 1.74 C ATOM 2340 O LEU B 64 46.308 40.668 27.109 1.00 2.20 O ATOM 2341 CB LEU B 64 44.734 37.829 25.673 1.00 1.43 C ATOM 2342 CG LEU B 64 44.937 36.310 25.559 1.00 1.54 C ATOM 2343 CD1 LEU B 64 43.772 35.697 24.779 1.00 1.59 C ATOM 2344 CD2 LEU B 64 46.250 36.000 24.824 1.00 2.41 C ATOM 0 H LEU B 64 44.460 37.136 28.064 1.00 1.29 H new ATOM 0 HA LEU B 64 46.667 38.203 26.550 1.00 1.43 H new ATOM 0 HB2 LEU B 64 43.687 38.049 25.883 1.00 1.43 H new ATOM 0 HB3 LEU B 64 44.977 38.309 24.725 1.00 1.43 H new ATOM 0 HG LEU B 64 44.980 35.886 26.562 1.00 1.54 H new ATOM 0 HD11 LEU B 64 43.915 34.620 24.698 1.00 1.59 H new ATOM 0 HD12 LEU B 64 42.837 35.900 25.302 1.00 1.59 H new ATOM 0 HD13 LEU B 64 43.732 36.134 23.781 1.00 1.59 H new ATOM 0 HD21 LEU B 64 46.380 34.920 24.751 1.00 2.41 H new ATOM 0 HD22 LEU B 64 46.217 36.430 23.823 1.00 2.41 H new ATOM 0 HD23 LEU B 64 47.086 36.430 25.376 1.00 2.41 H new ATOM 2356 N ASN B 65 44.159 40.338 26.771 1.00 2.14 N ATOM 2357 CA ASN B 65 43.850 41.793 26.868 1.00 2.59 C ATOM 2358 C ASN B 65 42.550 41.977 27.663 1.00 3.01 C ATOM 2359 O ASN B 65 42.058 43.076 27.820 1.00 3.52 O ATOM 2360 CB ASN B 65 43.675 42.354 25.449 1.00 3.25 C ATOM 2361 CG ASN B 65 45.037 42.759 24.873 1.00 3.82 C ATOM 2362 OD1 ASN B 65 45.604 42.047 24.068 1.00 4.30 O ATOM 2363 ND2 ASN B 65 45.586 43.880 25.255 1.00 4.34 N ATOM 0 H ASN B 65 43.352 39.739 26.597 1.00 2.14 H new ATOM 0 HA ASN B 65 44.659 42.320 27.374 1.00 2.59 H new ATOM 0 HB2 ASN B 65 43.208 41.606 24.808 1.00 3.25 H new ATOM 0 HB3 ASN B 65 43.009 43.216 25.470 1.00 3.25 H new ATOM 0 HD21 ASN B 65 46.492 44.159 24.878 1.00 4.34 H new ATOM 0 HD22 ASN B 65 45.109 44.477 25.931 1.00 4.34 H new ATOM 2370 N ILE B 66 41.990 40.906 28.162 1.00 0.00 N ATOM 2371 CA ILE B 66 40.721 41.010 28.945 1.00 0.00 C ATOM 2372 C ILE B 66 41.042 41.081 30.438 1.00 0.00 C ATOM 2373 O ILE B 66 40.907 40.113 31.160 1.00 0.00 O ATOM 2374 CB ILE B 66 39.855 39.780 28.667 1.00 0.00 C ATOM 2375 CG1 ILE B 66 39.828 39.502 27.158 1.00 0.00 C ATOM 2376 CG2 ILE B 66 38.431 40.028 29.168 1.00 0.00 C ATOM 2377 CD1 ILE B 66 39.459 40.780 26.395 1.00 0.00 C ATOM 0 H ILE B 66 42.358 39.960 28.061 1.00 0.00 H new ATOM 0 HA ILE B 66 40.184 41.911 28.650 1.00 0.00 H new ATOM 0 HB ILE B 66 40.274 38.919 29.187 1.00 0.00 H new ATOM 0 HG12 ILE B 66 40.802 39.141 26.829 1.00 0.00 H new ATOM 0 HG13 ILE B 66 39.106 38.716 26.938 1.00 0.00 H new ATOM 0 HG21 ILE B 66 37.817 39.150 28.968 1.00 0.00 H new ATOM 0 HG22 ILE B 66 38.451 40.220 30.241 1.00 0.00 H new ATOM 0 HG23 ILE B 66 38.009 40.891 28.652 1.00 0.00 H new ATOM 0 HD11 ILE B 66 39.442 40.573 25.325 1.00 0.00 H new ATOM 0 HD12 ILE B 66 38.475 41.123 26.714 1.00 0.00 H new ATOM 0 HD13 ILE B 66 40.198 41.554 26.603 1.00 0.00 H new ATOM 2389 N TYR B 67 41.466 42.222 30.907 1.00 0.00 N ATOM 2390 CA TYR B 67 41.794 42.356 32.354 1.00 0.00 C ATOM 2391 C TYR B 67 42.002 43.833 32.698 1.00 0.00 C ATOM 2392 O TYR B 67 42.346 44.635 31.853 1.00 0.00 O ATOM 2393 CB TYR B 67 43.072 41.574 32.663 1.00 0.00 C ATOM 2394 CG TYR B 67 44.241 42.205 31.943 1.00 0.00 C ATOM 2395 CD1 TYR B 67 44.867 43.337 32.481 1.00 0.00 C ATOM 2396 CD2 TYR B 67 44.700 41.660 30.738 1.00 0.00 C ATOM 2397 CE1 TYR B 67 45.950 43.922 31.815 1.00 0.00 C ATOM 2398 CE2 TYR B 67 45.783 42.246 30.072 1.00 0.00 C ATOM 2399 CZ TYR B 67 46.408 43.377 30.610 1.00 0.00 C ATOM 2400 OH TYR B 67 47.475 43.954 29.952 1.00 0.00 O ATOM 0 H TYR B 67 41.599 43.067 30.351 1.00 0.00 H new ATOM 0 HA TYR B 67 40.972 41.958 32.950 1.00 0.00 H new ATOM 0 HB2 TYR B 67 43.255 41.567 33.738 1.00 0.00 H new ATOM 0 HB3 TYR B 67 42.959 40.535 32.352 1.00 0.00 H new ATOM 0 HD1 TYR B 67 44.514 43.759 33.410 1.00 0.00 H new ATOM 0 HD2 TYR B 67 44.219 40.787 30.322 1.00 0.00 H new ATOM 0 HE1 TYR B 67 46.432 44.794 32.231 1.00 0.00 H new ATOM 0 HE2 TYR B 67 46.137 41.825 29.142 1.00 0.00 H new ATOM 0 HH TYR B 67 47.665 43.451 29.133 1.00 0.00 H new ATOM 2410 N ASP B 68 41.796 44.198 33.935 1.00 0.00 N ATOM 2411 CA ASP B 68 41.983 45.622 34.336 1.00 0.00 C ATOM 2412 C ASP B 68 43.464 45.883 34.609 1.00 0.00 C ATOM 2413 O ASP B 68 44.098 46.678 33.944 1.00 0.00 O ATOM 2414 CB ASP B 68 41.173 45.903 35.605 1.00 0.00 C ATOM 2415 CG ASP B 68 39.687 45.676 35.324 1.00 0.00 C ATOM 2416 OD1 ASP B 68 39.054 46.587 34.818 1.00 0.00 O ATOM 2417 OD2 ASP B 68 39.207 44.594 35.620 1.00 0.00 O ATOM 0 H ASP B 68 41.506 43.571 34.685 1.00 0.00 H new ATOM 0 HA ASP B 68 41.641 46.275 33.533 1.00 0.00 H new ATOM 0 HB2 ASP B 68 41.505 45.251 36.413 1.00 0.00 H new ATOM 0 HB3 ASP B 68 41.339 46.928 35.935 1.00 0.00 H new ATOM 2422 N GLY B 69 44.018 45.220 35.584 1.00 0.00 N ATOM 2423 CA GLY B 69 45.459 45.426 35.905 1.00 0.00 C ATOM 2424 C GLY B 69 45.883 44.444 36.999 1.00 0.00 C ATOM 2425 O GLY B 69 46.256 43.321 36.727 1.00 0.00 O ATOM 0 H GLY B 69 43.535 44.543 36.174 1.00 0.00 H new ATOM 0 HA2 GLY B 69 46.066 45.277 35.012 1.00 0.00 H new ATOM 0 HA3 GLY B 69 45.626 46.451 36.237 1.00 0.00 H new ATOM 2429 N GLY B 70 45.828 44.860 38.235 1.00 0.00 N ATOM 2430 CA GLY B 70 46.227 43.950 39.346 1.00 0.00 C ATOM 2431 C GLY B 70 46.589 44.778 40.580 1.00 0.00 C ATOM 2432 O GLY B 70 46.043 45.839 40.810 1.00 0.00 O ATOM 0 H GLY B 70 45.524 45.790 38.523 1.00 0.00 H new ATOM 0 HA2 GLY B 70 45.411 43.266 39.581 1.00 0.00 H new ATOM 0 HA3 GLY B 70 47.077 43.340 39.042 1.00 0.00 H new ATOM 2436 N GLU B 71 47.507 44.303 41.376 1.00 0.00 N ATOM 2437 CA GLU B 71 47.905 45.064 42.594 1.00 0.00 C ATOM 2438 C GLU B 71 48.788 46.247 42.190 1.00 0.00 C ATOM 2439 O GLU B 71 49.926 46.354 42.603 1.00 0.00 O ATOM 2440 CB GLU B 71 48.683 44.144 43.537 1.00 0.00 C ATOM 2441 CG GLU B 71 48.808 44.807 44.910 1.00 0.00 C ATOM 2442 CD GLU B 71 49.556 43.873 45.863 1.00 0.00 C ATOM 2443 OE1 GLU B 71 49.443 42.670 45.692 1.00 0.00 O ATOM 2444 OE2 GLU B 71 50.229 44.375 46.748 1.00 0.00 O ATOM 0 H GLU B 71 47.999 43.421 41.236 1.00 0.00 H new ATOM 0 HA GLU B 71 47.013 45.433 43.101 1.00 0.00 H new ATOM 0 HB2 GLU B 71 48.173 43.185 43.630 1.00 0.00 H new ATOM 0 HB3 GLU B 71 49.673 43.940 43.128 1.00 0.00 H new ATOM 0 HG2 GLU B 71 49.340 45.754 44.821 1.00 0.00 H new ATOM 0 HG3 GLU B 71 47.819 45.033 45.308 1.00 0.00 H new ATOM 2451 N LEU B 72 48.274 47.137 41.385 1.00 0.00 N ATOM 2452 CA LEU B 72 49.084 48.312 40.954 1.00 0.00 C ATOM 2453 C LEU B 72 49.326 49.226 42.158 1.00 0.00 C ATOM 2454 O LEU B 72 48.537 49.291 43.079 1.00 0.00 O ATOM 2455 CB LEU B 72 48.324 49.079 39.840 1.00 0.00 C ATOM 2456 CG LEU B 72 48.883 48.750 38.437 1.00 0.00 C ATOM 2457 CD1 LEU B 72 50.166 49.555 38.182 1.00 0.00 C ATOM 2458 CD2 LEU B 72 49.171 47.237 38.297 1.00 0.00 C ATOM 0 H LEU B 72 47.327 47.101 41.007 1.00 0.00 H new ATOM 0 HA LEU B 72 50.045 47.979 40.561 1.00 0.00 H new ATOM 0 HB2 LEU B 72 47.265 48.823 39.879 1.00 0.00 H new ATOM 0 HB3 LEU B 72 48.400 50.151 40.020 1.00 0.00 H new ATOM 0 HG LEU B 72 48.132 49.025 37.696 1.00 0.00 H new ATOM 0 HD11 LEU B 72 50.554 49.318 37.191 1.00 0.00 H new ATOM 0 HD12 LEU B 72 49.944 50.621 38.239 1.00 0.00 H new ATOM 0 HD13 LEU B 72 50.912 49.299 38.934 1.00 0.00 H new ATOM 0 HD21 LEU B 72 49.563 47.032 37.301 1.00 0.00 H new ATOM 0 HD22 LEU B 72 49.904 46.935 39.045 1.00 0.00 H new ATOM 0 HD23 LEU B 72 48.249 46.676 38.446 1.00 0.00 H new ATOM 2470 N ARG B 73 50.424 49.928 42.146 1.00 0.00 N ATOM 2471 CA ARG B 73 50.749 50.847 43.277 1.00 0.00 C ATOM 2472 C ARG B 73 51.585 52.019 42.745 1.00 0.00 C ATOM 2473 O ARG B 73 51.058 53.047 42.368 1.00 0.00 O ATOM 2474 CB ARG B 73 51.540 50.073 44.348 1.00 0.00 C ATOM 2475 CG ARG B 73 52.354 48.957 43.682 1.00 0.00 C ATOM 2476 CD ARG B 73 53.440 48.470 44.640 1.00 0.00 C ATOM 2477 NE ARG B 73 52.816 48.062 45.930 1.00 0.00 N ATOM 2478 CZ ARG B 73 53.491 47.344 46.785 1.00 0.00 C ATOM 2479 NH1 ARG B 73 54.713 46.976 46.509 1.00 0.00 N ATOM 2480 NH2 ARG B 73 52.943 46.991 47.915 1.00 0.00 N ATOM 0 H ARG B 73 51.116 49.906 41.397 1.00 0.00 H new ATOM 0 HA ARG B 73 49.832 51.233 43.723 1.00 0.00 H new ATOM 0 HB2 ARG B 73 52.204 50.751 44.884 1.00 0.00 H new ATOM 0 HB3 ARG B 73 50.856 49.649 45.083 1.00 0.00 H new ATOM 0 HG2 ARG B 73 51.699 48.130 43.408 1.00 0.00 H new ATOM 0 HG3 ARG B 73 52.806 49.324 42.761 1.00 0.00 H new ATOM 0 HD2 ARG B 73 53.977 47.629 44.201 1.00 0.00 H new ATOM 0 HD3 ARG B 73 54.171 49.261 44.811 1.00 0.00 H new ATOM 0 HE ARG B 73 51.860 48.344 46.145 1.00 0.00 H new ATOM 0 HH11 ARG B 73 55.141 47.250 45.624 1.00 0.00 H new ATOM 0 HH12 ARG B 73 55.240 46.415 47.178 1.00 0.00 H new ATOM 0 HH21 ARG B 73 51.987 47.276 48.130 1.00 0.00 H new ATOM 0 HH22 ARG B 73 53.470 46.430 48.584 1.00 0.00 H new ATOM 2494 N ASN B 74 52.882 51.872 42.714 1.00 0.00 N ATOM 2495 CA ASN B 74 53.747 52.974 42.208 1.00 0.00 C ATOM 2496 C ASN B 74 53.397 53.268 40.747 1.00 0.00 C ATOM 2497 O ASN B 74 52.259 53.161 40.336 1.00 0.00 O ATOM 2498 CB ASN B 74 55.215 52.554 42.303 1.00 0.00 C ATOM 2499 CG ASN B 74 55.470 51.374 41.363 1.00 0.00 C ATOM 2500 OD1 ASN B 74 54.991 50.282 41.595 1.00 0.00 O ATOM 2501 ND2 ASN B 74 56.209 51.550 40.301 1.00 0.00 N ATOM 0 H ASN B 74 53.380 51.035 43.018 1.00 0.00 H new ATOM 0 HA ASN B 74 53.584 53.868 42.809 1.00 0.00 H new ATOM 0 HB2 ASN B 74 55.862 53.390 42.038 1.00 0.00 H new ATOM 0 HB3 ASN B 74 55.459 52.275 43.328 1.00 0.00 H new ATOM 0 HD21 ASN B 74 56.384 50.771 39.667 1.00 0.00 H new ATOM 0 HD22 ASN B 74 56.611 52.467 40.106 1.00 0.00 H new ATOM 2508 N THR B 75 54.370 53.631 39.957 1.00 0.00 N ATOM 2509 CA THR B 75 54.103 53.927 38.526 1.00 0.00 C ATOM 2510 C THR B 75 53.118 55.098 38.416 1.00 0.00 C ATOM 2511 O THR B 75 53.497 56.211 38.109 1.00 0.00 O ATOM 2512 CB THR B 75 53.519 52.677 37.853 1.00 0.00 C ATOM 2513 OG1 THR B 75 54.144 51.520 38.392 1.00 0.00 O ATOM 2514 CG2 THR B 75 53.774 52.736 36.347 1.00 0.00 C ATOM 0 H THR B 75 55.343 53.735 40.245 1.00 0.00 H new ATOM 0 HA THR B 75 55.032 54.203 38.027 1.00 0.00 H new ATOM 0 HB THR B 75 52.445 52.635 38.035 1.00 0.00 H new ATOM 0 HG1 THR B 75 53.773 50.719 37.966 1.00 0.00 H new ATOM 0 HG21 THR B 75 53.358 51.847 35.872 1.00 0.00 H new ATOM 0 HG22 THR B 75 53.299 53.625 35.932 1.00 0.00 H new ATOM 0 HG23 THR B 75 54.847 52.778 36.161 1.00 0.00 H new ATOM 2522 N THR B 76 51.860 54.858 38.665 1.00 0.00 N ATOM 2523 CA THR B 76 50.859 55.958 38.574 1.00 0.00 C ATOM 2524 C THR B 76 51.043 56.913 39.755 1.00 0.00 C ATOM 2525 O THR B 76 51.895 56.714 40.599 1.00 0.00 O ATOM 2526 CB THR B 76 49.448 55.367 38.609 1.00 0.00 C ATOM 2527 OG1 THR B 76 49.156 54.919 39.925 1.00 0.00 O ATOM 2528 CG2 THR B 76 49.361 54.189 37.636 1.00 0.00 C ATOM 0 H THR B 76 51.482 53.948 38.928 1.00 0.00 H new ATOM 0 HA THR B 76 51.001 56.503 37.641 1.00 0.00 H new ATOM 0 HB THR B 76 48.727 56.131 38.316 1.00 0.00 H new ATOM 0 HG1 THR B 76 48.252 54.542 39.949 1.00 0.00 H new ATOM 0 HG21 THR B 76 48.355 53.769 37.662 1.00 0.00 H new ATOM 0 HG22 THR B 76 49.584 54.534 36.626 1.00 0.00 H new ATOM 0 HG23 THR B 76 50.081 53.424 37.926 1.00 0.00 H new ATOM 2536 N ARG B 77 50.252 57.948 39.823 1.00 0.00 N ATOM 2537 CA ARG B 77 50.383 58.913 40.951 1.00 0.00 C ATOM 2538 C ARG B 77 49.193 59.874 40.941 1.00 0.00 C ATOM 2539 O ARG B 77 49.099 60.753 40.108 1.00 0.00 O ATOM 2540 CB ARG B 77 51.681 59.708 40.794 1.00 0.00 C ATOM 2541 CG ARG B 77 51.896 60.584 42.029 1.00 0.00 C ATOM 2542 CD ARG B 77 53.182 61.396 41.864 1.00 0.00 C ATOM 2543 NE ARG B 77 54.359 60.497 42.023 1.00 0.00 N ATOM 2544 CZ ARG B 77 55.541 60.894 41.638 1.00 0.00 C ATOM 2545 NH1 ARG B 77 55.692 62.082 41.118 1.00 0.00 N ATOM 2546 NH2 ARG B 77 56.571 60.105 41.773 1.00 0.00 N ATOM 0 H ARG B 77 49.521 58.167 39.147 1.00 0.00 H new ATOM 0 HA ARG B 77 50.402 58.368 41.895 1.00 0.00 H new ATOM 0 HB2 ARG B 77 52.523 59.028 40.667 1.00 0.00 H new ATOM 0 HB3 ARG B 77 51.634 60.328 39.899 1.00 0.00 H new ATOM 0 HG2 ARG B 77 51.046 61.253 42.165 1.00 0.00 H new ATOM 0 HG3 ARG B 77 51.958 59.962 42.922 1.00 0.00 H new ATOM 0 HD2 ARG B 77 53.202 61.870 40.883 1.00 0.00 H new ATOM 0 HD3 ARG B 77 53.218 62.195 42.605 1.00 0.00 H new ATOM 0 HE ARG B 77 54.241 59.571 42.433 1.00 0.00 H new ATOM 0 HH11 ARG B 77 54.887 62.699 41.013 1.00 0.00 H new ATOM 0 HH12 ARG B 77 56.615 62.393 40.817 1.00 0.00 H new ATOM 0 HH21 ARG B 77 56.453 59.177 42.180 1.00 0.00 H new ATOM 0 HH22 ARG B 77 57.495 60.416 41.472 1.00 0.00 H new ATOM 2560 N GLN B 78 48.283 59.715 41.862 1.00 0.00 N ATOM 2561 CA GLN B 78 47.099 60.619 41.906 1.00 0.00 C ATOM 2562 C GLN B 78 46.473 60.712 40.513 1.00 0.00 C ATOM 2563 O GLN B 78 46.115 61.779 40.054 1.00 0.00 O ATOM 2564 CB GLN B 78 47.538 62.013 42.362 1.00 0.00 C ATOM 2565 CG GLN B 78 48.110 61.931 43.779 1.00 0.00 C ATOM 2566 CD GLN B 78 48.389 63.342 44.299 1.00 0.00 C ATOM 2567 OE1 GLN B 78 48.404 64.291 43.540 1.00 0.00 O ATOM 2568 NE2 GLN B 78 48.612 63.523 45.572 1.00 0.00 N ATOM 0 H GLN B 78 48.308 58.998 42.587 1.00 0.00 H new ATOM 0 HA GLN B 78 46.365 60.221 42.607 1.00 0.00 H new ATOM 0 HB2 GLN B 78 48.288 62.411 41.678 1.00 0.00 H new ATOM 0 HB3 GLN B 78 46.690 62.698 42.340 1.00 0.00 H new ATOM 0 HG2 GLN B 78 47.407 61.422 44.438 1.00 0.00 H new ATOM 0 HG3 GLN B 78 49.028 61.344 43.778 1.00 0.00 H new ATOM 0 HE21 GLN B 78 48.600 62.727 46.210 1.00 0.00 H new ATOM 0 HE22 GLN B 78 48.799 64.460 45.929 1.00 0.00 H new ATOM 2577 N CYS B 79 46.336 59.603 39.836 1.00 0.00 N ATOM 2578 CA CYS B 79 45.732 59.628 38.472 1.00 0.00 C ATOM 2579 C CYS B 79 45.109 58.264 38.162 1.00 0.00 C ATOM 2580 O CYS B 79 44.518 58.064 37.120 1.00 0.00 O ATOM 2581 CB CYS B 79 46.817 59.937 37.439 1.00 0.00 C ATOM 2582 SG CYS B 79 48.073 58.635 37.474 1.00 0.00 S ATOM 0 H CYS B 79 46.616 58.681 40.169 1.00 0.00 H new ATOM 0 HA CYS B 79 44.961 60.397 38.432 1.00 0.00 H new ATOM 0 HB2 CYS B 79 46.377 60.006 36.444 1.00 0.00 H new ATOM 0 HB3 CYS B 79 47.274 60.903 37.654 1.00 0.00 H new ATOM 0 HG CYS B 79 48.994 58.897 36.595 1.00 0.00 H new ATOM 2588 N GLY B 80 45.237 57.324 39.059 1.00 0.00 N ATOM 2589 CA GLY B 80 44.652 55.975 38.814 1.00 0.00 C ATOM 2590 C GLY B 80 43.153 56.004 39.122 1.00 0.00 C ATOM 2591 O GLY B 80 42.457 55.114 38.662 1.00 0.00 O ATOM 2592 OXT GLY B 80 42.728 56.916 39.812 1.00 0.00 O ATOM 0 H GLY B 80 45.721 57.432 39.950 1.00 0.00 H new ATOM 0 HA2 GLY B 80 44.815 55.679 37.778 1.00 0.00 H new ATOM 0 HA3 GLY B 80 45.148 55.233 39.439 1.00 0.00 H new TER 2596 GLY B 80