USER MOD reduce.3.24.130724 H: found=0, std=0, add=780, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 783 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 66 SER OG : rot 77:sc= 0.495 USER MOD Set 1.2: A 96 TYR OH : rot 180:sc= 0.988 USER MOD Set 2.1: A 62 TYR OH : rot 150:sc= 0.684 USER MOD Set 2.2: A 86 ASN : amide:sc= 1.31 K(o=2,f=-4.2!) USER MOD Set 3.1: A 42 LYS NZ :NH3+ 153:sc= 1.03 (180deg=0.107) USER MOD Set 3.2: A 56 SER OG : rot -119:sc= 0.773 USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 38 ASN : amide:sc= -0.904 K(o=-0.9,f=-0.24) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot -156:sc= 0.763 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot -31:sc= 0.314 USER MOD Single : A 63 HIS : no HD1:sc= -0.403 X(o=-0.4,f=-0.089) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 28:sc= 0.0361 USER MOD Single : A 69 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0683) USER MOD Single : A 74 TYR OH : rot 180:sc= -0.386 USER MOD Single : A 75 LYS NZ :NH3+ -116:sc= 0.691 (180deg=-0.685) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 82 ASN : amide:sc= -2.25 K(o=-2.2,f=-1) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 119:sc= 1.2 USER MOD Single : A 98 TYR OH : rot 112:sc= -0.546 USER MOD Single : A 100 LYS NZ :NH3+ 166:sc= -0.0339 (180deg=-0.253) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot -26:sc= 0.624! USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 ASN : amide:sc= -1.93! C(o=-1.9!,f=-2.8!) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 130 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 131 HIS : no HD1:sc= -0.103 X(o=-0.1,f=-0.12) USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 133 HIS : no HD1:sc= -0.0348 X(o=-0.035,f=-0.0042) USER MOD Single : A 134 HIS : no HD1:sc= -0.433 X(o=-0.43,f=-0.068) USER MOD Single : A 135 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 34 -20.465 9.828 -12.569 1.00 42.32 N ATOM 2 CA MET A 34 -21.019 8.978 -11.479 1.00 24.03 C ATOM 3 C MET A 34 -21.651 7.690 -12.034 1.00 21.34 C ATOM 4 O MET A 34 -22.313 6.950 -11.307 1.00 50.31 O ATOM 5 CB MET A 34 -22.064 9.764 -10.673 1.00 52.34 C ATOM 6 CG MET A 34 -21.515 11.018 -10.008 1.00 62.24 C ATOM 7 SD MET A 34 -20.791 12.166 -11.195 1.00 51.22 S ATOM 8 CE MET A 34 -20.309 13.514 -10.118 1.00 31.34 C ATOM 0 HA MET A 34 -20.193 8.696 -10.826 1.00 24.03 H new ATOM 0 HB2 MET A 34 -22.883 10.045 -11.335 1.00 52.34 H new ATOM 0 HB3 MET A 34 -22.483 9.112 -9.907 1.00 52.34 H new ATOM 0 HG2 MET A 34 -22.317 11.519 -9.465 1.00 62.24 H new ATOM 0 HG3 MET A 34 -20.761 10.736 -9.273 1.00 62.24 H new ATOM 0 HE1 MET A 34 -19.845 14.304 -10.709 1.00 31.34 H new ATOM 0 HE2 MET A 34 -21.190 13.909 -9.613 1.00 31.34 H new ATOM 0 HE3 MET A 34 -19.598 13.150 -9.376 1.00 31.34 H new ATOM 20 N ASP A 35 -21.438 7.422 -13.324 1.00 65.21 N ATOM 21 CA ASP A 35 -21.998 6.234 -13.978 1.00 52.42 C ATOM 22 C ASP A 35 -21.394 4.947 -13.388 1.00 13.24 C ATOM 23 O ASP A 35 -20.262 4.577 -13.712 1.00 21.01 O ATOM 24 CB ASP A 35 -21.728 6.309 -15.484 1.00 41.00 C ATOM 25 CG ASP A 35 -22.204 7.620 -16.084 1.00 73.22 C ATOM 26 OD1 ASP A 35 -21.593 8.669 -15.787 1.00 54.15 O ATOM 27 OD2 ASP A 35 -23.180 7.612 -16.860 1.00 34.41 O ATOM 0 H ASP A 35 -20.880 8.013 -13.940 1.00 65.21 H new ATOM 0 HA ASP A 35 -23.074 6.208 -13.804 1.00 52.42 H new ATOM 0 HB2 ASP A 35 -20.660 6.194 -15.667 1.00 41.00 H new ATOM 0 HB3 ASP A 35 -22.228 5.479 -15.983 1.00 41.00 H new ATOM 32 N THR A 36 -22.155 4.284 -12.516 1.00 22.33 N ATOM 33 CA THR A 36 -21.672 3.112 -11.768 1.00 15.12 C ATOM 34 C THR A 36 -20.507 3.489 -10.838 1.00 33.35 C ATOM 35 O THR A 36 -19.347 3.561 -11.261 1.00 44.31 O ATOM 36 CB THR A 36 -21.239 1.943 -12.697 1.00 12.15 C ATOM 37 OG1 THR A 36 -22.369 1.447 -13.434 1.00 33.10 O ATOM 38 CG2 THR A 36 -20.619 0.796 -11.900 1.00 31.01 C ATOM 0 H THR A 36 -23.120 4.539 -12.306 1.00 22.33 H new ATOM 0 HA THR A 36 -22.516 2.767 -11.171 1.00 15.12 H new ATOM 0 HB THR A 36 -20.490 2.334 -13.386 1.00 12.15 H new ATOM 0 HG1 THR A 36 -22.083 0.713 -14.016 1.00 33.10 H new ATOM 0 HG21 THR A 36 -20.328 -0.004 -12.580 1.00 31.01 H new ATOM 0 HG22 THR A 36 -19.740 1.157 -11.367 1.00 31.01 H new ATOM 0 HG23 THR A 36 -21.347 0.416 -11.183 1.00 31.01 H new ATOM 46 N ASN A 37 -20.826 3.747 -9.572 1.00 55.44 N ATOM 47 CA ASN A 37 -19.812 4.098 -8.580 1.00 61.20 C ATOM 48 C ASN A 37 -18.958 2.879 -8.222 1.00 62.24 C ATOM 49 O ASN A 37 -19.263 2.129 -7.292 1.00 32.11 O ATOM 50 CB ASN A 37 -20.468 4.706 -7.331 1.00 62.23 C ATOM 51 CG ASN A 37 -21.108 6.057 -7.619 1.00 31.11 C ATOM 52 OD1 ASN A 37 -20.639 6.811 -8.469 1.00 72.45 O ATOM 53 ND2 ASN A 37 -22.179 6.373 -6.921 1.00 13.23 N ATOM 0 H ASN A 37 -21.779 3.720 -9.208 1.00 55.44 H new ATOM 0 HA ASN A 37 -19.151 4.850 -9.012 1.00 61.20 H new ATOM 0 HB2 ASN A 37 -21.225 4.021 -6.950 1.00 62.23 H new ATOM 0 HB3 ASN A 37 -19.719 4.820 -6.548 1.00 62.23 H new ATOM 0 HD21 ASN A 37 -22.645 7.267 -7.078 1.00 13.23 H new ATOM 0 HD22 ASN A 37 -22.543 5.724 -6.223 1.00 13.23 H new ATOM 60 N ASN A 38 -17.902 2.676 -9.005 1.00 61.03 N ATOM 61 CA ASN A 38 -16.987 1.554 -8.809 1.00 44.23 C ATOM 62 C ASN A 38 -16.203 1.684 -7.493 1.00 43.43 C ATOM 63 O ASN A 38 -15.304 2.514 -7.360 1.00 65.42 O ATOM 64 CB ASN A 38 -16.035 1.425 -10.010 1.00 31.32 C ATOM 65 CG ASN A 38 -15.385 2.743 -10.395 1.00 1.15 C ATOM 66 OD1 ASN A 38 -14.304 3.086 -9.928 1.00 10.31 O ATOM 67 ND2 ASN A 38 -16.037 3.496 -11.260 1.00 23.45 N ATOM 0 H ASN A 38 -17.657 3.280 -9.789 1.00 61.03 H new ATOM 0 HA ASN A 38 -17.582 0.644 -8.739 1.00 44.23 H new ATOM 0 HB2 ASN A 38 -15.258 0.698 -9.774 1.00 31.32 H new ATOM 0 HB3 ASN A 38 -16.588 1.035 -10.865 1.00 31.32 H new ATOM 0 HD21 ASN A 38 -15.644 4.389 -11.557 1.00 23.45 H new ATOM 0 HD22 ASN A 38 -16.934 3.185 -11.632 1.00 23.45 H new ATOM 74 N PHE A 39 -16.581 0.871 -6.514 1.00 4.51 N ATOM 75 CA PHE A 39 -15.892 0.825 -5.222 1.00 50.04 C ATOM 76 C PHE A 39 -14.536 0.109 -5.342 1.00 63.54 C ATOM 77 O PHE A 39 -14.457 -1.115 -5.263 1.00 2.53 O ATOM 78 CB PHE A 39 -16.773 0.124 -4.176 1.00 63.24 C ATOM 79 CG PHE A 39 -18.060 0.854 -3.876 1.00 32.43 C ATOM 80 CD1 PHE A 39 -18.097 1.855 -2.918 1.00 64.40 C ATOM 81 CD2 PHE A 39 -19.227 0.545 -4.559 1.00 53.41 C ATOM 82 CE1 PHE A 39 -19.271 2.530 -2.645 1.00 62.41 C ATOM 83 CE2 PHE A 39 -20.404 1.219 -4.289 1.00 42.02 C ATOM 84 CZ PHE A 39 -20.425 2.214 -3.332 1.00 62.33 C ATOM 0 H PHE A 39 -17.369 0.227 -6.588 1.00 4.51 H new ATOM 0 HA PHE A 39 -15.706 1.850 -4.901 1.00 50.04 H new ATOM 0 HB2 PHE A 39 -17.009 -0.880 -4.528 1.00 63.24 H new ATOM 0 HB3 PHE A 39 -16.205 0.013 -3.252 1.00 63.24 H new ATOM 0 HD1 PHE A 39 -17.197 2.110 -2.378 1.00 64.40 H new ATOM 0 HD2 PHE A 39 -19.216 -0.231 -5.310 1.00 53.41 H new ATOM 0 HE1 PHE A 39 -19.285 3.305 -1.893 1.00 62.41 H new ATOM 0 HE2 PHE A 39 -21.306 0.967 -4.826 1.00 42.02 H new ATOM 0 HZ PHE A 39 -21.342 2.744 -3.122 1.00 62.33 H new ATOM 94 N THR A 40 -13.473 0.884 -5.563 1.00 50.41 N ATOM 95 CA THR A 40 -12.118 0.331 -5.721 1.00 70.14 C ATOM 96 C THR A 40 -11.166 0.804 -4.610 1.00 41.01 C ATOM 97 O THR A 40 -11.410 1.817 -3.946 1.00 52.02 O ATOM 98 CB THR A 40 -11.507 0.728 -7.086 1.00 72.04 C ATOM 99 OG1 THR A 40 -11.411 2.159 -7.181 1.00 35.34 O ATOM 100 CG2 THR A 40 -12.342 0.188 -8.244 1.00 32.33 C ATOM 0 H THR A 40 -13.520 1.900 -5.638 1.00 50.41 H new ATOM 0 HA THR A 40 -12.226 -0.752 -5.661 1.00 70.14 H new ATOM 0 HB THR A 40 -10.511 0.290 -7.151 1.00 72.04 H new ATOM 0 HG1 THR A 40 -11.022 2.404 -8.046 1.00 35.34 H new ATOM 0 HG21 THR A 40 -11.887 0.484 -9.189 1.00 32.33 H new ATOM 0 HG22 THR A 40 -12.384 -0.900 -8.186 1.00 32.33 H new ATOM 0 HG23 THR A 40 -13.352 0.594 -8.185 1.00 32.33 H new ATOM 108 N VAL A 41 -10.079 0.055 -4.410 1.00 45.43 N ATOM 109 CA VAL A 41 -9.058 0.401 -3.412 1.00 62.30 C ATOM 110 C VAL A 41 -7.658 0.515 -4.037 1.00 23.15 C ATOM 111 O VAL A 41 -7.105 -0.463 -4.532 1.00 23.23 O ATOM 112 CB VAL A 41 -9.011 -0.644 -2.267 1.00 25.32 C ATOM 113 CG1 VAL A 41 -7.860 -0.352 -1.301 1.00 52.23 C ATOM 114 CG2 VAL A 41 -10.344 -0.685 -1.528 1.00 11.52 C ATOM 0 H VAL A 41 -9.881 -0.801 -4.928 1.00 45.43 H new ATOM 0 HA VAL A 41 -9.344 1.372 -3.008 1.00 62.30 H new ATOM 0 HB VAL A 41 -8.832 -1.624 -2.709 1.00 25.32 H new ATOM 0 HG11 VAL A 41 -7.851 -1.100 -0.509 1.00 52.23 H new ATOM 0 HG12 VAL A 41 -6.914 -0.385 -1.842 1.00 52.23 H new ATOM 0 HG13 VAL A 41 -7.994 0.638 -0.864 1.00 52.23 H new ATOM 0 HG21 VAL A 41 -10.294 -1.423 -0.728 1.00 11.52 H new ATOM 0 HG22 VAL A 41 -10.555 0.296 -1.103 1.00 11.52 H new ATOM 0 HG23 VAL A 41 -11.138 -0.957 -2.224 1.00 11.52 H new ATOM 124 N LYS A 42 -7.086 1.713 -4.001 1.00 12.01 N ATOM 125 CA LYS A 42 -5.714 1.936 -4.464 1.00 2.23 C ATOM 126 C LYS A 42 -4.698 1.554 -3.378 1.00 51.43 C ATOM 127 O LYS A 42 -4.836 1.940 -2.227 1.00 72.21 O ATOM 128 CB LYS A 42 -5.522 3.412 -4.863 1.00 71.21 C ATOM 129 CG LYS A 42 -4.058 3.849 -4.977 1.00 34.05 C ATOM 130 CD LYS A 42 -3.323 3.136 -6.116 1.00 61.05 C ATOM 131 CE LYS A 42 -3.086 4.053 -7.308 1.00 35.22 C ATOM 132 NZ LYS A 42 -2.572 3.310 -8.491 1.00 61.23 N ATOM 0 H LYS A 42 -7.551 2.552 -3.654 1.00 12.01 H new ATOM 0 HA LYS A 42 -5.543 1.302 -5.334 1.00 2.23 H new ATOM 0 HB2 LYS A 42 -6.016 3.585 -5.819 1.00 71.21 H new ATOM 0 HB3 LYS A 42 -6.021 4.043 -4.128 1.00 71.21 H new ATOM 0 HG2 LYS A 42 -4.015 4.926 -5.138 1.00 34.05 H new ATOM 0 HG3 LYS A 42 -3.547 3.647 -4.036 1.00 34.05 H new ATOM 0 HD2 LYS A 42 -2.366 2.762 -5.751 1.00 61.05 H new ATOM 0 HD3 LYS A 42 -3.903 2.270 -6.435 1.00 61.05 H new ATOM 0 HE2 LYS A 42 -4.018 4.553 -7.571 1.00 35.22 H new ATOM 0 HE3 LYS A 42 -2.374 4.831 -7.031 1.00 35.22 H new ATOM 0 HZ1 LYS A 42 -2.845 3.810 -9.361 1.00 61.23 H new ATOM 0 HZ2 LYS A 42 -1.535 3.248 -8.438 1.00 61.23 H new ATOM 0 HZ3 LYS A 42 -2.976 2.352 -8.502 1.00 61.23 H new ATOM 146 N VAL A 43 -3.686 0.788 -3.753 1.00 51.42 N ATOM 147 CA VAL A 43 -2.593 0.447 -2.840 1.00 3.52 C ATOM 148 C VAL A 43 -1.295 1.138 -3.280 1.00 2.33 C ATOM 149 O VAL A 43 -0.752 0.838 -4.343 1.00 43.40 O ATOM 150 CB VAL A 43 -2.359 -1.082 -2.774 1.00 74.31 C ATOM 151 CG1 VAL A 43 -1.340 -1.429 -1.688 1.00 21.01 C ATOM 152 CG2 VAL A 43 -3.675 -1.822 -2.539 1.00 24.40 C ATOM 0 H VAL A 43 -3.594 0.386 -4.686 1.00 51.42 H new ATOM 0 HA VAL A 43 -2.879 0.795 -1.848 1.00 3.52 H new ATOM 0 HB VAL A 43 -1.955 -1.405 -3.733 1.00 74.31 H new ATOM 0 HG11 VAL A 43 -1.192 -2.508 -1.660 1.00 21.01 H new ATOM 0 HG12 VAL A 43 -0.392 -0.938 -1.908 1.00 21.01 H new ATOM 0 HG13 VAL A 43 -1.709 -1.088 -0.721 1.00 21.01 H new ATOM 0 HG21 VAL A 43 -3.487 -2.895 -2.496 1.00 24.40 H new ATOM 0 HG22 VAL A 43 -4.114 -1.493 -1.597 1.00 24.40 H new ATOM 0 HG23 VAL A 43 -4.364 -1.607 -3.356 1.00 24.40 H new ATOM 162 N GLU A 44 -0.798 2.057 -2.455 1.00 13.51 N ATOM 163 CA GLU A 44 0.402 2.837 -2.780 1.00 55.21 C ATOM 164 C GLU A 44 1.628 2.328 -2.013 1.00 5.22 C ATOM 165 O GLU A 44 1.530 1.900 -0.863 1.00 12.02 O ATOM 166 CB GLU A 44 0.193 4.323 -2.451 1.00 23.14 C ATOM 167 CG GLU A 44 -0.879 5.024 -3.283 1.00 1.13 C ATOM 168 CD GLU A 44 -0.946 6.517 -2.990 1.00 0.52 C ATOM 169 OE1 GLU A 44 0.112 7.125 -2.719 1.00 21.44 O ATOM 170 OE2 GLU A 44 -2.053 7.093 -3.016 1.00 35.44 O ATOM 0 H GLU A 44 -1.209 2.283 -1.549 1.00 13.51 H new ATOM 0 HA GLU A 44 0.578 2.718 -3.849 1.00 55.21 H new ATOM 0 HB2 GLU A 44 -0.070 4.413 -1.397 1.00 23.14 H new ATOM 0 HB3 GLU A 44 1.139 4.847 -2.589 1.00 23.14 H new ATOM 0 HG2 GLU A 44 -0.672 4.872 -4.342 1.00 1.13 H new ATOM 0 HG3 GLU A 44 -1.849 4.571 -3.079 1.00 1.13 H new ATOM 177 N TYR A 45 2.785 2.398 -2.660 1.00 63.14 N ATOM 178 CA TYR A 45 4.047 1.950 -2.070 1.00 34.13 C ATOM 179 C TYR A 45 5.045 3.111 -2.050 1.00 21.14 C ATOM 180 O TYR A 45 5.696 3.410 -3.052 1.00 72.55 O ATOM 181 CB TYR A 45 4.589 0.761 -2.872 1.00 61.24 C ATOM 182 CG TYR A 45 3.557 -0.340 -3.050 1.00 3.54 C ATOM 183 CD1 TYR A 45 3.397 -1.339 -2.093 1.00 43.23 C ATOM 184 CD2 TYR A 45 2.725 -0.366 -4.165 1.00 1.43 C ATOM 185 CE1 TYR A 45 2.447 -2.330 -2.247 1.00 43.54 C ATOM 186 CE2 TYR A 45 1.771 -1.352 -4.323 1.00 71.30 C ATOM 187 CZ TYR A 45 1.636 -2.330 -3.362 1.00 3.33 C ATOM 188 OH TYR A 45 0.690 -3.317 -3.517 1.00 72.23 O ATOM 0 H TYR A 45 2.878 2.766 -3.607 1.00 63.14 H new ATOM 0 HA TYR A 45 3.886 1.625 -1.042 1.00 34.13 H new ATOM 0 HB2 TYR A 45 4.918 1.108 -3.852 1.00 61.24 H new ATOM 0 HB3 TYR A 45 5.465 0.355 -2.366 1.00 61.24 H new ATOM 0 HD1 TYR A 45 4.026 -1.339 -1.215 1.00 43.23 H new ATOM 0 HD2 TYR A 45 2.827 0.399 -4.921 1.00 1.43 H new ATOM 0 HE1 TYR A 45 2.340 -3.101 -1.498 1.00 43.54 H new ATOM 0 HE2 TYR A 45 1.134 -1.356 -5.195 1.00 71.30 H new ATOM 0 HH TYR A 45 0.473 -3.416 -4.468 1.00 72.23 H new ATOM 198 N VAL A 46 5.148 3.778 -0.905 1.00 12.30 N ATOM 199 CA VAL A 46 5.841 5.068 -0.825 1.00 2.31 C ATOM 200 C VAL A 46 7.033 5.062 0.150 1.00 40.31 C ATOM 201 O VAL A 46 7.090 4.271 1.093 1.00 73.21 O ATOM 202 CB VAL A 46 4.848 6.186 -0.406 1.00 72.23 C ATOM 203 CG1 VAL A 46 3.673 6.272 -1.389 1.00 52.32 C ATOM 204 CG2 VAL A 46 4.348 5.957 1.021 1.00 33.30 C ATOM 0 H VAL A 46 4.763 3.451 -0.019 1.00 12.30 H new ATOM 0 HA VAL A 46 6.238 5.260 -1.822 1.00 2.31 H new ATOM 0 HB VAL A 46 5.378 7.138 -0.432 1.00 72.23 H new ATOM 0 HG11 VAL A 46 2.992 7.062 -1.074 1.00 52.32 H new ATOM 0 HG12 VAL A 46 4.049 6.494 -2.387 1.00 52.32 H new ATOM 0 HG13 VAL A 46 3.142 5.320 -1.405 1.00 52.32 H new ATOM 0 HG21 VAL A 46 3.654 6.751 1.295 1.00 33.30 H new ATOM 0 HG22 VAL A 46 3.839 4.995 1.078 1.00 33.30 H new ATOM 0 HG23 VAL A 46 5.194 5.962 1.708 1.00 33.30 H new ATOM 214 N ASP A 47 7.987 5.959 -0.105 1.00 54.24 N ATOM 215 CA ASP A 47 9.118 6.188 0.797 1.00 40.54 C ATOM 216 C ASP A 47 8.656 6.944 2.056 1.00 52.13 C ATOM 217 O ASP A 47 7.523 7.430 2.119 1.00 60.31 O ATOM 218 CB ASP A 47 10.222 6.962 0.048 1.00 33.12 C ATOM 219 CG ASP A 47 11.373 7.408 0.939 1.00 34.20 C ATOM 220 OD1 ASP A 47 11.964 6.557 1.630 1.00 22.31 O ATOM 221 OD2 ASP A 47 11.678 8.616 0.964 1.00 73.53 O ATOM 0 H ASP A 47 7.998 6.546 -0.939 1.00 54.24 H new ATOM 0 HA ASP A 47 9.526 5.231 1.122 1.00 40.54 H new ATOM 0 HB2 ASP A 47 10.616 6.333 -0.750 1.00 33.12 H new ATOM 0 HB3 ASP A 47 9.780 7.839 -0.425 1.00 33.12 H new ATOM 226 N ALA A 48 9.531 7.040 3.052 1.00 45.52 N ATOM 227 CA ALA A 48 9.195 7.645 4.343 1.00 73.11 C ATOM 228 C ALA A 48 8.633 9.078 4.243 1.00 72.33 C ATOM 229 O ALA A 48 8.006 9.561 5.191 1.00 75.00 O ATOM 230 CB ALA A 48 10.418 7.626 5.254 1.00 75.03 C ATOM 0 H ALA A 48 10.492 6.702 2.991 1.00 45.52 H new ATOM 0 HA ALA A 48 8.392 7.039 4.763 1.00 73.11 H new ATOM 0 HB1 ALA A 48 10.164 8.077 6.213 1.00 75.03 H new ATOM 0 HB2 ALA A 48 10.739 6.596 5.411 1.00 75.03 H new ATOM 0 HB3 ALA A 48 11.226 8.191 4.790 1.00 75.03 H new ATOM 236 N ASP A 49 8.852 9.759 3.120 1.00 15.44 N ATOM 237 CA ASP A 49 8.338 11.119 2.942 1.00 12.13 C ATOM 238 C ASP A 49 6.886 11.084 2.465 1.00 71.50 C ATOM 239 O ASP A 49 6.106 12.012 2.704 1.00 73.51 O ATOM 240 CB ASP A 49 9.192 11.873 1.925 1.00 20.20 C ATOM 241 CG ASP A 49 8.878 11.490 0.488 1.00 33.10 C ATOM 242 OD1 ASP A 49 9.036 10.306 0.133 1.00 34.25 O ATOM 243 OD2 ASP A 49 8.451 12.375 -0.287 1.00 54.54 O ATOM 0 H ASP A 49 9.377 9.397 2.324 1.00 15.44 H new ATOM 0 HA ASP A 49 8.382 11.632 3.903 1.00 12.13 H new ATOM 0 HB2 ASP A 49 9.038 12.945 2.052 1.00 20.20 H new ATOM 0 HB3 ASP A 49 10.245 11.677 2.126 1.00 20.20 H new ATOM 248 N GLY A 50 6.533 9.995 1.791 1.00 11.11 N ATOM 249 CA GLY A 50 5.204 9.857 1.231 1.00 51.22 C ATOM 250 C GLY A 50 5.185 9.755 -0.293 1.00 30.15 C ATOM 251 O GLY A 50 4.115 9.719 -0.906 1.00 43.22 O ATOM 0 H GLY A 50 7.150 9.200 1.622 1.00 11.11 H new ATOM 0 HA2 GLY A 50 4.733 8.968 1.651 1.00 51.22 H new ATOM 0 HA3 GLY A 50 4.601 10.712 1.536 1.00 51.22 H new ATOM 255 N ALA A 51 6.363 9.693 -0.909 1.00 5.33 N ATOM 256 CA ALA A 51 6.468 9.606 -2.378 1.00 13.05 C ATOM 257 C ALA A 51 6.475 8.151 -2.860 1.00 73.04 C ATOM 258 O ALA A 51 7.328 7.359 -2.454 1.00 23.11 O ATOM 259 CB ALA A 51 7.723 10.317 -2.863 1.00 71.33 C ATOM 0 H ALA A 51 7.260 9.701 -0.423 1.00 5.33 H new ATOM 0 HA ALA A 51 5.590 10.096 -2.798 1.00 13.05 H new ATOM 0 HB1 ALA A 51 7.786 10.244 -3.949 1.00 71.33 H new ATOM 0 HB2 ALA A 51 7.682 11.367 -2.572 1.00 71.33 H new ATOM 0 HB3 ALA A 51 8.601 9.851 -2.416 1.00 71.33 H new ATOM 265 N GLU A 52 5.530 7.800 -3.733 1.00 61.45 N ATOM 266 CA GLU A 52 5.403 6.416 -4.206 1.00 53.43 C ATOM 267 C GLU A 52 6.607 6.001 -5.069 1.00 43.20 C ATOM 268 O GLU A 52 6.715 6.320 -6.254 1.00 60.23 O ATOM 269 CB GLU A 52 4.064 6.206 -4.939 1.00 2.41 C ATOM 270 CG GLU A 52 3.946 6.987 -6.228 1.00 13.33 C ATOM 271 CD GLU A 52 2.542 6.988 -6.822 1.00 73.34 C ATOM 272 OE1 GLU A 52 2.145 5.978 -7.446 1.00 12.12 O ATOM 273 OE2 GLU A 52 1.831 8.006 -6.674 1.00 33.12 O ATOM 0 H GLU A 52 4.846 8.446 -4.126 1.00 61.45 H new ATOM 0 HA GLU A 52 5.403 5.761 -3.334 1.00 53.43 H new ATOM 0 HB2 GLU A 52 3.941 5.145 -5.155 1.00 2.41 H new ATOM 0 HB3 GLU A 52 3.248 6.492 -4.275 1.00 2.41 H new ATOM 0 HG2 GLU A 52 4.254 8.017 -6.047 1.00 13.33 H new ATOM 0 HG3 GLU A 52 4.639 6.570 -6.959 1.00 13.33 H new ATOM 280 N ILE A 53 7.521 5.290 -4.429 1.00 72.01 N ATOM 281 CA ILE A 53 8.767 4.834 -5.051 1.00 14.02 C ATOM 282 C ILE A 53 8.548 3.641 -5.992 1.00 71.42 C ATOM 283 O ILE A 53 9.500 3.125 -6.581 1.00 53.13 O ATOM 284 CB ILE A 53 9.774 4.423 -3.953 1.00 2.00 C ATOM 285 CG1 ILE A 53 9.091 3.450 -2.972 1.00 23.15 C ATOM 286 CG2 ILE A 53 10.314 5.658 -3.228 1.00 21.03 C ATOM 287 CD1 ILE A 53 9.969 2.984 -1.838 1.00 0.32 C ATOM 0 H ILE A 53 7.424 5.007 -3.454 1.00 72.01 H new ATOM 0 HA ILE A 53 9.154 5.664 -5.643 1.00 14.02 H new ATOM 0 HB ILE A 53 10.624 3.917 -4.411 1.00 2.00 H new ATOM 0 HG12 ILE A 53 8.208 3.935 -2.555 1.00 23.15 H new ATOM 0 HG13 ILE A 53 8.744 2.579 -3.527 1.00 23.15 H new ATOM 0 HG21 ILE A 53 11.021 5.348 -2.459 1.00 21.03 H new ATOM 0 HG22 ILE A 53 10.818 6.309 -3.943 1.00 21.03 H new ATOM 0 HG23 ILE A 53 9.488 6.198 -2.765 1.00 21.03 H new ATOM 0 HD11 ILE A 53 9.407 2.304 -1.198 1.00 0.32 H new ATOM 0 HD12 ILE A 53 10.840 2.467 -2.241 1.00 0.32 H new ATOM 0 HD13 ILE A 53 10.296 3.844 -1.254 1.00 0.32 H new ATOM 299 N ALA A 54 7.302 3.209 -6.140 1.00 44.52 N ATOM 300 CA ALA A 54 7.002 2.005 -6.917 1.00 4.24 C ATOM 301 C ALA A 54 5.573 2.030 -7.467 1.00 40.31 C ATOM 302 O ALA A 54 4.707 2.712 -6.915 1.00 52.24 O ATOM 303 CB ALA A 54 7.212 0.767 -6.052 1.00 21.11 C ATOM 0 H ALA A 54 6.485 3.668 -5.737 1.00 44.52 H new ATOM 0 HA ALA A 54 7.682 1.974 -7.768 1.00 4.24 H new ATOM 0 HB1 ALA A 54 6.987 -0.126 -6.635 1.00 21.11 H new ATOM 0 HB2 ALA A 54 8.248 0.730 -5.715 1.00 21.11 H new ATOM 0 HB3 ALA A 54 6.551 0.811 -5.187 1.00 21.11 H new ATOM 309 N PRO A 55 5.308 1.289 -8.566 1.00 2.44 N ATOM 310 CA PRO A 55 3.953 1.157 -9.124 1.00 2.12 C ATOM 311 C PRO A 55 2.904 0.779 -8.070 1.00 14.01 C ATOM 312 O PRO A 55 3.139 -0.072 -7.211 1.00 12.21 O ATOM 313 CB PRO A 55 4.103 0.040 -10.157 1.00 11.13 C ATOM 314 CG PRO A 55 5.526 0.132 -10.594 1.00 71.42 C ATOM 315 CD PRO A 55 6.303 0.550 -9.370 1.00 33.54 C ATOM 0 HA PRO A 55 3.597 2.100 -9.539 1.00 2.12 H new ATOM 0 HB2 PRO A 55 3.882 -0.935 -9.723 1.00 11.13 H new ATOM 0 HB3 PRO A 55 3.420 0.178 -10.995 1.00 11.13 H new ATOM 0 HG2 PRO A 55 5.881 -0.825 -10.975 1.00 71.42 H new ATOM 0 HG3 PRO A 55 5.642 0.858 -11.398 1.00 71.42 H new ATOM 0 HD2 PRO A 55 6.695 -0.312 -8.830 1.00 33.54 H new ATOM 0 HD3 PRO A 55 7.155 1.178 -9.630 1.00 33.54 H new ATOM 323 N SER A 56 1.742 1.411 -8.158 1.00 2.34 N ATOM 324 CA SER A 56 0.686 1.247 -7.160 1.00 22.22 C ATOM 325 C SER A 56 -0.545 0.544 -7.751 1.00 1.42 C ATOM 326 O SER A 56 -0.996 0.867 -8.852 1.00 21.43 O ATOM 327 CB SER A 56 0.311 2.618 -6.600 1.00 24.03 C ATOM 328 OG SER A 56 -0.146 3.490 -7.620 1.00 2.43 O ATOM 0 H SER A 56 1.502 2.049 -8.917 1.00 2.34 H new ATOM 0 HA SER A 56 1.059 0.613 -6.355 1.00 22.22 H new ATOM 0 HB2 SER A 56 -0.465 2.503 -5.844 1.00 24.03 H new ATOM 0 HB3 SER A 56 1.176 3.058 -6.104 1.00 24.03 H new ATOM 0 HG SER A 56 0.445 4.270 -7.672 1.00 2.43 H new ATOM 334 N ASP A 57 -1.099 -0.399 -6.994 1.00 4.43 N ATOM 335 CA ASP A 57 -2.175 -1.276 -7.485 1.00 52.11 C ATOM 336 C ASP A 57 -3.571 -0.702 -7.211 1.00 5.01 C ATOM 337 O ASP A 57 -3.733 0.236 -6.439 1.00 21.45 O ATOM 338 CB ASP A 57 -2.067 -2.653 -6.821 1.00 10.43 C ATOM 339 CG ASP A 57 -0.799 -3.399 -7.203 1.00 32.31 C ATOM 340 OD1 ASP A 57 -0.689 -3.832 -8.368 1.00 23.12 O ATOM 341 OD2 ASP A 57 0.085 -3.573 -6.339 1.00 22.43 O ATOM 0 H ASP A 57 -0.822 -0.582 -6.029 1.00 4.43 H new ATOM 0 HA ASP A 57 -2.051 -1.357 -8.565 1.00 52.11 H new ATOM 0 HB2 ASP A 57 -2.098 -2.532 -5.738 1.00 10.43 H new ATOM 0 HB3 ASP A 57 -2.933 -3.253 -7.099 1.00 10.43 H new ATOM 346 N THR A 58 -4.577 -1.277 -7.862 1.00 54.24 N ATOM 347 CA THR A 58 -5.979 -0.957 -7.574 1.00 2.23 C ATOM 348 C THR A 58 -6.802 -2.240 -7.404 1.00 34.52 C ATOM 349 O THR A 58 -7.132 -2.916 -8.380 1.00 15.43 O ATOM 350 CB THR A 58 -6.619 -0.091 -8.689 1.00 32.24 C ATOM 351 OG1 THR A 58 -5.968 1.189 -8.773 1.00 4.40 O ATOM 352 CG2 THR A 58 -8.112 0.116 -8.434 1.00 41.20 C ATOM 0 H THR A 58 -4.450 -1.972 -8.598 1.00 54.24 H new ATOM 0 HA THR A 58 -5.986 -0.385 -6.646 1.00 2.23 H new ATOM 0 HB THR A 58 -6.492 -0.623 -9.632 1.00 32.24 H new ATOM 0 HG1 THR A 58 -6.384 1.722 -9.483 1.00 4.40 H new ATOM 0 HG21 THR A 58 -8.536 0.727 -9.231 1.00 41.20 H new ATOM 0 HG22 THR A 58 -8.615 -0.851 -8.411 1.00 41.20 H new ATOM 0 HG23 THR A 58 -8.251 0.620 -7.478 1.00 41.20 H new ATOM 360 N LEU A 59 -7.125 -2.579 -6.160 1.00 33.31 N ATOM 361 CA LEU A 59 -7.920 -3.775 -5.860 1.00 43.03 C ATOM 362 C LEU A 59 -9.420 -3.525 -6.082 1.00 3.03 C ATOM 363 O LEU A 59 -10.016 -2.650 -5.451 1.00 2.30 O ATOM 364 CB LEU A 59 -7.672 -4.227 -4.412 1.00 71.22 C ATOM 365 CG LEU A 59 -6.216 -4.595 -4.075 1.00 45.15 C ATOM 366 CD1 LEU A 59 -6.085 -4.996 -2.608 1.00 70.11 C ATOM 367 CD2 LEU A 59 -5.716 -5.715 -4.988 1.00 52.21 C ATOM 0 H LEU A 59 -6.849 -2.043 -5.337 1.00 33.31 H new ATOM 0 HA LEU A 59 -7.605 -4.563 -6.544 1.00 43.03 H new ATOM 0 HB2 LEU A 59 -7.992 -3.430 -3.741 1.00 71.22 H new ATOM 0 HB3 LEU A 59 -8.304 -5.091 -4.206 1.00 71.22 H new ATOM 0 HG LEU A 59 -5.595 -3.715 -4.244 1.00 45.15 H new ATOM 0 HD11 LEU A 59 -5.048 -5.252 -2.392 1.00 70.11 H new ATOM 0 HD12 LEU A 59 -6.393 -4.164 -1.975 1.00 70.11 H new ATOM 0 HD13 LEU A 59 -6.721 -5.859 -2.408 1.00 70.11 H new ATOM 0 HD21 LEU A 59 -4.685 -5.960 -4.733 1.00 52.21 H new ATOM 0 HD22 LEU A 59 -6.341 -6.598 -4.857 1.00 52.21 H new ATOM 0 HD23 LEU A 59 -5.765 -5.387 -6.026 1.00 52.21 H new ATOM 379 N THR A 60 -10.025 -4.289 -6.990 1.00 63.24 N ATOM 380 CA THR A 60 -11.473 -4.201 -7.241 1.00 10.30 C ATOM 381 C THR A 60 -12.239 -5.279 -6.456 1.00 30.03 C ATOM 382 O THR A 60 -13.469 -5.270 -6.404 1.00 14.31 O ATOM 383 CB THR A 60 -11.795 -4.333 -8.750 1.00 14.42 C ATOM 384 OG1 THR A 60 -13.203 -4.152 -8.995 1.00 25.41 O ATOM 385 CG2 THR A 60 -11.357 -5.689 -9.284 1.00 50.14 C ATOM 0 H THR A 60 -9.540 -4.977 -7.566 1.00 63.24 H new ATOM 0 HA THR A 60 -11.796 -3.217 -6.900 1.00 10.30 H new ATOM 0 HB THR A 60 -11.242 -3.552 -9.271 1.00 14.42 H new ATOM 0 HG1 THR A 60 -13.713 -4.466 -8.219 1.00 25.41 H new ATOM 0 HG21 THR A 60 -11.595 -5.756 -10.346 1.00 50.14 H new ATOM 0 HG22 THR A 60 -10.282 -5.805 -9.145 1.00 50.14 H new ATOM 0 HG23 THR A 60 -11.880 -6.479 -8.745 1.00 50.14 H new ATOM 393 N ASP A 61 -11.495 -6.211 -5.858 1.00 51.30 N ATOM 394 CA ASP A 61 -12.072 -7.248 -4.994 1.00 10.52 C ATOM 395 C ASP A 61 -12.750 -6.634 -3.759 1.00 42.15 C ATOM 396 O ASP A 61 -12.176 -5.767 -3.102 1.00 0.03 O ATOM 397 CB ASP A 61 -10.969 -8.218 -4.554 1.00 34.42 C ATOM 398 CG ASP A 61 -10.385 -8.988 -5.725 1.00 11.34 C ATOM 399 OD1 ASP A 61 -9.566 -8.413 -6.471 1.00 14.41 O ATOM 400 OD2 ASP A 61 -10.749 -10.169 -5.908 1.00 22.40 O ATOM 0 H ASP A 61 -10.482 -6.270 -5.956 1.00 51.30 H new ATOM 0 HA ASP A 61 -12.832 -7.784 -5.562 1.00 10.52 H new ATOM 0 HB2 ASP A 61 -10.176 -7.662 -4.055 1.00 34.42 H new ATOM 0 HB3 ASP A 61 -11.374 -8.920 -3.825 1.00 34.42 H new ATOM 405 N TYR A 62 -13.966 -7.090 -3.440 1.00 32.34 N ATOM 406 CA TYR A 62 -14.714 -6.550 -2.295 1.00 32.25 C ATOM 407 C TYR A 62 -13.905 -6.635 -0.990 1.00 63.42 C ATOM 408 O TYR A 62 -13.840 -5.672 -0.227 1.00 53.54 O ATOM 409 CB TYR A 62 -16.058 -7.266 -2.124 1.00 25.32 C ATOM 410 CG TYR A 62 -16.848 -6.760 -0.929 1.00 11.22 C ATOM 411 CD1 TYR A 62 -17.389 -5.477 -0.928 1.00 14.15 C ATOM 412 CD2 TYR A 62 -17.036 -7.550 0.198 1.00 52.10 C ATOM 413 CE1 TYR A 62 -18.093 -5.002 0.161 1.00 14.23 C ATOM 414 CE2 TYR A 62 -17.741 -7.082 1.287 1.00 30.25 C ATOM 415 CZ TYR A 62 -18.266 -5.806 1.266 1.00 64.35 C ATOM 416 OH TYR A 62 -18.970 -5.332 2.353 1.00 75.33 O ATOM 0 H TYR A 62 -14.452 -7.826 -3.953 1.00 32.34 H new ATOM 0 HA TYR A 62 -14.901 -5.498 -2.510 1.00 32.25 H new ATOM 0 HB2 TYR A 62 -16.652 -7.134 -3.028 1.00 25.32 H new ATOM 0 HB3 TYR A 62 -15.883 -8.336 -2.011 1.00 25.32 H new ATOM 0 HD1 TYR A 62 -17.256 -4.843 -1.792 1.00 14.15 H new ATOM 0 HD2 TYR A 62 -16.623 -8.548 0.222 1.00 52.10 H new ATOM 0 HE1 TYR A 62 -18.506 -4.004 0.146 1.00 14.23 H new ATOM 0 HE2 TYR A 62 -17.882 -7.712 2.153 1.00 30.25 H new ATOM 0 HH TYR A 62 -19.412 -6.079 2.808 1.00 75.33 H new ATOM 426 N HIS A 63 -13.308 -7.791 -0.719 1.00 50.44 N ATOM 427 CA HIS A 63 -12.392 -7.920 0.415 1.00 30.34 C ATOM 428 C HIS A 63 -10.971 -7.540 0.003 1.00 3.23 C ATOM 429 O HIS A 63 -10.169 -8.397 -0.375 1.00 41.15 O ATOM 430 CB HIS A 63 -12.414 -9.342 0.999 1.00 22.22 C ATOM 431 CG HIS A 63 -13.306 -9.488 2.187 1.00 25.11 C ATOM 432 ND1 HIS A 63 -13.998 -10.641 2.472 1.00 42.43 N ATOM 433 CD2 HIS A 63 -13.584 -8.628 3.197 1.00 43.40 C ATOM 434 CE1 HIS A 63 -14.657 -10.488 3.599 1.00 43.25 C ATOM 435 NE2 HIS A 63 -14.428 -9.276 4.060 1.00 1.32 N ATOM 0 H HIS A 63 -13.438 -8.645 -1.261 1.00 50.44 H new ATOM 0 HA HIS A 63 -12.731 -7.234 1.191 1.00 30.34 H new ATOM 0 HB2 HIS A 63 -12.737 -10.038 0.225 1.00 22.22 H new ATOM 0 HB3 HIS A 63 -11.400 -9.626 1.280 1.00 22.22 H new ATOM 0 HD2 HIS A 63 -13.210 -7.620 3.302 1.00 43.40 H new ATOM 0 HE1 HIS A 63 -15.282 -11.233 4.069 1.00 43.25 H new ATOM 0 HE2 HIS A 63 -14.815 -8.884 4.918 1.00 1.32 H new ATOM 444 N TYR A 64 -10.667 -6.250 0.057 1.00 33.31 N ATOM 445 CA TYR A 64 -9.345 -5.774 -0.325 1.00 70.23 C ATOM 446 C TYR A 64 -8.298 -6.174 0.728 1.00 63.12 C ATOM 447 O TYR A 64 -8.253 -5.639 1.836 1.00 24.31 O ATOM 448 CB TYR A 64 -9.345 -4.249 -0.566 1.00 14.44 C ATOM 449 CG TYR A 64 -9.530 -3.390 0.678 1.00 62.41 C ATOM 450 CD1 TYR A 64 -10.792 -3.154 1.213 1.00 50.11 C ATOM 451 CD2 TYR A 64 -8.434 -2.811 1.312 1.00 24.53 C ATOM 452 CE1 TYR A 64 -10.955 -2.369 2.341 1.00 21.12 C ATOM 453 CE2 TYR A 64 -8.590 -2.029 2.438 1.00 72.21 C ATOM 454 CZ TYR A 64 -9.850 -1.810 2.950 1.00 61.44 C ATOM 455 OH TYR A 64 -10.005 -1.029 4.073 1.00 13.13 O ATOM 0 H TYR A 64 -11.312 -5.520 0.359 1.00 33.31 H new ATOM 0 HA TYR A 64 -9.075 -6.251 -1.267 1.00 70.23 H new ATOM 0 HB2 TYR A 64 -8.403 -3.973 -1.040 1.00 14.44 H new ATOM 0 HB3 TYR A 64 -10.140 -4.010 -1.273 1.00 14.44 H new ATOM 0 HD1 TYR A 64 -11.659 -3.591 0.740 1.00 50.11 H new ATOM 0 HD2 TYR A 64 -7.443 -2.977 0.915 1.00 24.53 H new ATOM 0 HE1 TYR A 64 -11.942 -2.195 2.743 1.00 21.12 H new ATOM 0 HE2 TYR A 64 -7.727 -1.590 2.916 1.00 72.21 H new ATOM 0 HH TYR A 64 -9.128 -0.715 4.376 1.00 13.13 H new ATOM 465 N VAL A 65 -7.498 -7.175 0.396 1.00 22.11 N ATOM 466 CA VAL A 65 -6.384 -7.584 1.247 1.00 24.02 C ATOM 467 C VAL A 65 -5.067 -7.398 0.479 1.00 73.54 C ATOM 468 O VAL A 65 -4.779 -8.134 -0.470 1.00 42.42 O ATOM 469 CB VAL A 65 -6.547 -9.060 1.701 1.00 60.34 C ATOM 470 CG1 VAL A 65 -5.424 -9.465 2.657 1.00 63.15 C ATOM 471 CG2 VAL A 65 -7.924 -9.280 2.346 1.00 42.22 C ATOM 0 H VAL A 65 -7.597 -7.723 -0.459 1.00 22.11 H new ATOM 0 HA VAL A 65 -6.372 -6.962 2.142 1.00 24.02 H new ATOM 0 HB VAL A 65 -6.480 -9.696 0.818 1.00 60.34 H new ATOM 0 HG11 VAL A 65 -5.561 -10.503 2.960 1.00 63.15 H new ATOM 0 HG12 VAL A 65 -4.462 -9.358 2.155 1.00 63.15 H new ATOM 0 HG13 VAL A 65 -5.447 -8.824 3.538 1.00 63.15 H new ATOM 0 HG21 VAL A 65 -8.018 -10.320 2.657 1.00 42.22 H new ATOM 0 HG22 VAL A 65 -8.026 -8.631 3.215 1.00 42.22 H new ATOM 0 HG23 VAL A 65 -8.706 -9.045 1.624 1.00 42.22 H new ATOM 481 N SER A 66 -4.276 -6.409 0.880 1.00 51.11 N ATOM 482 CA SER A 66 -3.081 -6.012 0.113 1.00 74.23 C ATOM 483 C SER A 66 -1.800 -6.695 0.614 1.00 5.43 C ATOM 484 O SER A 66 -1.770 -7.297 1.690 1.00 4.21 O ATOM 485 CB SER A 66 -2.910 -4.487 0.152 1.00 53.45 C ATOM 486 OG SER A 66 -2.868 -4.008 1.483 1.00 62.14 O ATOM 0 H SER A 66 -4.432 -5.864 1.728 1.00 51.11 H new ATOM 0 HA SER A 66 -3.240 -6.341 -0.914 1.00 74.23 H new ATOM 0 HB2 SER A 66 -1.992 -4.208 -0.366 1.00 53.45 H new ATOM 0 HB3 SER A 66 -3.734 -4.013 -0.382 1.00 53.45 H new ATOM 0 HG SER A 66 -1.986 -4.192 1.869 1.00 62.14 H new ATOM 492 N THR A 67 -0.744 -6.604 -0.192 1.00 1.01 N ATOM 493 CA THR A 67 0.553 -7.217 0.130 1.00 44.44 C ATOM 494 C THR A 67 1.699 -6.197 0.051 1.00 21.25 C ATOM 495 O THR A 67 1.796 -5.436 -0.914 1.00 15.34 O ATOM 496 CB THR A 67 0.875 -8.391 -0.830 1.00 53.33 C ATOM 497 OG1 THR A 67 0.803 -7.947 -2.196 1.00 73.05 O ATOM 498 CG2 THR A 67 -0.083 -9.560 -0.622 1.00 43.43 C ATOM 0 H THR A 67 -0.758 -6.107 -1.083 1.00 1.01 H new ATOM 0 HA THR A 67 0.471 -7.589 1.151 1.00 44.44 H new ATOM 0 HB THR A 67 1.886 -8.733 -0.608 1.00 53.33 H new ATOM 0 HG1 THR A 67 1.011 -6.990 -2.240 1.00 73.05 H new ATOM 0 HG21 THR A 67 0.171 -10.366 -1.311 1.00 43.43 H new ATOM 0 HG22 THR A 67 -0.001 -9.920 0.404 1.00 43.43 H new ATOM 0 HG23 THR A 67 -1.105 -9.231 -0.810 1.00 43.43 H new ATOM 506 N PRO A 68 2.588 -6.163 1.065 1.00 34.54 N ATOM 507 CA PRO A 68 3.751 -5.261 1.067 1.00 1.40 C ATOM 508 C PRO A 68 4.865 -5.713 0.102 1.00 22.22 C ATOM 509 O PRO A 68 5.355 -6.843 0.183 1.00 13.35 O ATOM 510 CB PRO A 68 4.237 -5.325 2.520 1.00 54.44 C ATOM 511 CG PRO A 68 3.821 -6.678 2.998 1.00 64.50 C ATOM 512 CD PRO A 68 2.524 -6.986 2.294 1.00 61.03 C ATOM 0 HA PRO A 68 3.487 -4.259 0.728 1.00 1.40 H new ATOM 0 HB2 PRO A 68 5.318 -5.198 2.582 1.00 54.44 H new ATOM 0 HB3 PRO A 68 3.788 -4.536 3.123 1.00 54.44 H new ATOM 0 HG2 PRO A 68 4.579 -7.425 2.763 1.00 64.50 H new ATOM 0 HG3 PRO A 68 3.689 -6.686 4.080 1.00 64.50 H new ATOM 0 HD2 PRO A 68 2.437 -8.047 2.061 1.00 61.03 H new ATOM 0 HD3 PRO A 68 1.663 -6.723 2.908 1.00 61.03 H new ATOM 520 N LYS A 69 5.268 -4.825 -0.801 1.00 32.42 N ATOM 521 CA LYS A 69 6.341 -5.131 -1.755 1.00 3.41 C ATOM 522 C LYS A 69 7.712 -4.740 -1.189 1.00 3.31 C ATOM 523 O LYS A 69 8.018 -3.555 -1.064 1.00 41.31 O ATOM 524 CB LYS A 69 6.130 -4.385 -3.081 1.00 12.44 C ATOM 525 CG LYS A 69 4.807 -4.687 -3.783 1.00 71.12 C ATOM 526 CD LYS A 69 4.729 -3.998 -5.145 1.00 65.01 C ATOM 527 CE LYS A 69 3.385 -4.217 -5.835 1.00 64.52 C ATOM 528 NZ LYS A 69 3.089 -5.656 -6.061 1.00 34.50 N ATOM 0 H LYS A 69 4.873 -3.890 -0.896 1.00 32.42 H new ATOM 0 HA LYS A 69 6.312 -6.206 -1.931 1.00 3.41 H new ATOM 0 HB2 LYS A 69 6.188 -3.313 -2.892 1.00 12.44 H new ATOM 0 HB3 LYS A 69 6.949 -4.634 -3.756 1.00 12.44 H new ATOM 0 HG2 LYS A 69 4.699 -5.764 -3.912 1.00 71.12 H new ATOM 0 HG3 LYS A 69 3.978 -4.356 -3.158 1.00 71.12 H new ATOM 0 HD2 LYS A 69 4.898 -2.929 -5.018 1.00 65.01 H new ATOM 0 HD3 LYS A 69 5.528 -4.373 -5.785 1.00 65.01 H new ATOM 0 HE2 LYS A 69 2.593 -3.777 -5.229 1.00 64.52 H new ATOM 0 HE3 LYS A 69 3.382 -3.694 -6.791 1.00 64.52 H new ATOM 0 HZ1 LYS A 69 2.227 -5.747 -6.635 1.00 34.50 H new ATOM 0 HZ2 LYS A 69 3.886 -6.100 -6.560 1.00 34.50 H new ATOM 0 HZ3 LYS A 69 2.947 -6.129 -5.146 1.00 34.50 H new ATOM 542 N ASP A 70 8.535 -5.726 -0.843 1.00 54.44 N ATOM 543 CA ASP A 70 9.901 -5.441 -0.403 1.00 25.33 C ATOM 544 C ASP A 70 10.740 -4.999 -1.614 1.00 1.12 C ATOM 545 O ASP A 70 11.342 -5.818 -2.312 1.00 23.12 O ATOM 546 CB ASP A 70 10.516 -6.665 0.281 1.00 63.22 C ATOM 547 CG ASP A 70 11.661 -6.297 1.218 1.00 15.14 C ATOM 548 OD1 ASP A 70 11.394 -6.020 2.413 1.00 60.43 O ATOM 549 OD2 ASP A 70 12.827 -6.283 0.776 1.00 11.31 O ATOM 0 H ASP A 70 8.287 -6.715 -0.857 1.00 54.44 H new ATOM 0 HA ASP A 70 9.886 -4.634 0.329 1.00 25.33 H new ATOM 0 HB2 ASP A 70 9.744 -7.188 0.845 1.00 63.22 H new ATOM 0 HB3 ASP A 70 10.880 -7.357 -0.479 1.00 63.22 H new ATOM 554 N ILE A 71 10.716 -3.698 -1.872 1.00 24.44 N ATOM 555 CA ILE A 71 11.302 -3.105 -3.079 1.00 64.54 C ATOM 556 C ILE A 71 12.844 -3.159 -3.079 1.00 61.13 C ATOM 557 O ILE A 71 13.477 -2.903 -2.060 1.00 41.15 O ATOM 558 CB ILE A 71 10.831 -1.630 -3.203 1.00 3.55 C ATOM 559 CG1 ILE A 71 9.294 -1.573 -3.224 1.00 22.20 C ATOM 560 CG2 ILE A 71 11.416 -0.957 -4.447 1.00 24.30 C ATOM 561 CD1 ILE A 71 8.723 -0.175 -3.122 1.00 20.33 C ATOM 0 H ILE A 71 10.287 -3.015 -1.248 1.00 24.44 H new ATOM 0 HA ILE A 71 10.961 -3.691 -3.932 1.00 64.54 H new ATOM 0 HB ILE A 71 11.196 -1.080 -2.335 1.00 3.55 H new ATOM 0 HG12 ILE A 71 8.937 -2.033 -4.146 1.00 22.20 H new ATOM 0 HG13 ILE A 71 8.908 -2.172 -2.399 1.00 22.20 H new ATOM 0 HG21 ILE A 71 11.065 0.074 -4.502 1.00 24.30 H new ATOM 0 HG22 ILE A 71 12.504 -0.968 -4.389 1.00 24.30 H new ATOM 0 HG23 ILE A 71 11.095 -1.497 -5.338 1.00 24.30 H new ATOM 0 HD11 ILE A 71 7.634 -0.224 -3.144 1.00 20.33 H new ATOM 0 HD12 ILE A 71 9.047 0.283 -2.187 1.00 20.33 H new ATOM 0 HD13 ILE A 71 9.076 0.424 -3.961 1.00 20.33 H new ATOM 573 N PRO A 72 13.473 -3.504 -4.224 1.00 5.23 N ATOM 574 CA PRO A 72 14.942 -3.470 -4.357 1.00 3.15 C ATOM 575 C PRO A 72 15.525 -2.086 -4.011 1.00 33.42 C ATOM 576 O PRO A 72 15.347 -1.116 -4.753 1.00 74.54 O ATOM 577 CB PRO A 72 15.175 -3.809 -5.840 1.00 62.45 C ATOM 578 CG PRO A 72 13.953 -4.562 -6.253 1.00 53.52 C ATOM 579 CD PRO A 72 12.817 -3.971 -5.461 1.00 11.54 C ATOM 0 HA PRO A 72 15.434 -4.161 -3.672 1.00 3.15 H new ATOM 0 HB2 PRO A 72 15.305 -2.906 -6.437 1.00 62.45 H new ATOM 0 HB3 PRO A 72 16.074 -4.410 -5.972 1.00 62.45 H new ATOM 0 HG2 PRO A 72 13.776 -4.462 -7.324 1.00 53.52 H new ATOM 0 HG3 PRO A 72 14.061 -5.627 -6.046 1.00 53.52 H new ATOM 0 HD2 PRO A 72 12.337 -3.151 -5.996 1.00 11.54 H new ATOM 0 HD3 PRO A 72 12.044 -4.711 -5.252 1.00 11.54 H new ATOM 587 N GLY A 73 16.206 -1.999 -2.866 1.00 1.52 N ATOM 588 CA GLY A 73 16.753 -0.723 -2.402 1.00 71.01 C ATOM 589 C GLY A 73 15.927 -0.095 -1.281 1.00 75.32 C ATOM 590 O GLY A 73 16.325 0.910 -0.691 1.00 73.10 O ATOM 0 H GLY A 73 16.390 -2.789 -2.248 1.00 1.52 H new ATOM 0 HA2 GLY A 73 17.774 -0.877 -2.052 1.00 71.01 H new ATOM 0 HA3 GLY A 73 16.805 -0.029 -3.241 1.00 71.01 H new ATOM 594 N TYR A 74 14.765 -0.682 -0.999 1.00 65.31 N ATOM 595 CA TYR A 74 13.876 -0.218 0.079 1.00 63.21 C ATOM 596 C TYR A 74 13.347 -1.380 0.931 1.00 31.43 C ATOM 597 O TYR A 74 13.197 -2.504 0.456 1.00 41.21 O ATOM 598 CB TYR A 74 12.699 0.571 -0.505 1.00 51.03 C ATOM 599 CG TYR A 74 13.040 2.004 -0.850 1.00 60.35 C ATOM 600 CD1 TYR A 74 13.757 2.320 -2.001 1.00 34.42 C ATOM 601 CD2 TYR A 74 12.648 3.043 -0.018 1.00 54.21 C ATOM 602 CE1 TYR A 74 14.066 3.627 -2.309 1.00 74.43 C ATOM 603 CE2 TYR A 74 12.951 4.349 -0.323 1.00 44.20 C ATOM 604 CZ TYR A 74 13.660 4.639 -1.466 1.00 25.32 C ATOM 605 OH TYR A 74 13.964 5.947 -1.764 1.00 21.14 O ATOM 0 H TYR A 74 14.409 -1.492 -1.507 1.00 65.31 H new ATOM 0 HA TYR A 74 14.467 0.429 0.727 1.00 63.21 H new ATOM 0 HB2 TYR A 74 12.343 0.065 -1.403 1.00 51.03 H new ATOM 0 HB3 TYR A 74 11.877 0.564 0.211 1.00 51.03 H new ATOM 0 HD1 TYR A 74 14.076 1.528 -2.663 1.00 34.42 H new ATOM 0 HD2 TYR A 74 12.096 2.822 0.884 1.00 54.21 H new ATOM 0 HE1 TYR A 74 14.623 3.857 -3.205 1.00 74.43 H new ATOM 0 HE2 TYR A 74 12.633 5.146 0.333 1.00 44.20 H new ATOM 0 HH TYR A 74 13.603 6.534 -1.067 1.00 21.14 H new ATOM 615 N LYS A 75 13.067 -1.102 2.199 1.00 64.33 N ATOM 616 CA LYS A 75 12.537 -2.127 3.108 1.00 22.41 C ATOM 617 C LYS A 75 11.276 -1.638 3.835 1.00 44.20 C ATOM 618 O LYS A 75 11.158 -0.463 4.165 1.00 21.23 O ATOM 619 CB LYS A 75 13.617 -2.532 4.116 1.00 73.40 C ATOM 620 CG LYS A 75 13.294 -3.819 4.878 1.00 60.32 C ATOM 621 CD LYS A 75 14.538 -4.676 5.109 1.00 42.01 C ATOM 622 CE LYS A 75 15.087 -5.248 3.799 1.00 2.43 C ATOM 623 NZ LYS A 75 14.128 -6.182 3.142 1.00 13.42 N ATOM 0 H LYS A 75 13.195 -0.184 2.625 1.00 64.33 H new ATOM 0 HA LYS A 75 12.254 -2.997 2.515 1.00 22.41 H new ATOM 0 HB2 LYS A 75 14.563 -2.659 3.590 1.00 73.40 H new ATOM 0 HB3 LYS A 75 13.756 -1.722 4.831 1.00 73.40 H new ATOM 0 HG2 LYS A 75 12.843 -3.568 5.838 1.00 60.32 H new ATOM 0 HG3 LYS A 75 12.556 -4.395 4.320 1.00 60.32 H new ATOM 0 HD2 LYS A 75 15.308 -4.076 5.594 1.00 42.01 H new ATOM 0 HD3 LYS A 75 14.295 -5.493 5.789 1.00 42.01 H new ATOM 0 HE2 LYS A 75 15.319 -4.430 3.117 1.00 2.43 H new ATOM 0 HE3 LYS A 75 16.022 -5.772 3.998 1.00 2.43 H new ATOM 0 HZ1 LYS A 75 14.539 -7.137 3.112 1.00 13.42 H new ATOM 0 HZ2 LYS A 75 13.239 -6.204 3.682 1.00 13.42 H new ATOM 0 HZ3 LYS A 75 13.936 -5.857 2.173 1.00 13.42 H new ATOM 637 N LEU A 76 10.331 -2.548 4.075 1.00 64.12 N ATOM 638 CA LEU A 76 9.054 -2.194 4.709 1.00 42.25 C ATOM 639 C LEU A 76 9.226 -1.699 6.156 1.00 73.05 C ATOM 640 O LEU A 76 9.714 -2.428 7.023 1.00 32.45 O ATOM 641 CB LEU A 76 8.103 -3.398 4.690 1.00 1.32 C ATOM 642 CG LEU A 76 6.715 -3.147 5.303 1.00 62.43 C ATOM 643 CD1 LEU A 76 5.908 -2.167 4.448 1.00 44.23 C ATOM 644 CD2 LEU A 76 5.970 -4.463 5.480 1.00 24.21 C ATOM 0 H LEU A 76 10.423 -3.537 3.841 1.00 64.12 H new ATOM 0 HA LEU A 76 8.632 -1.372 4.130 1.00 42.25 H new ATOM 0 HB2 LEU A 76 7.973 -3.722 3.657 1.00 1.32 H new ATOM 0 HB3 LEU A 76 8.575 -4.222 5.225 1.00 1.32 H new ATOM 0 HG LEU A 76 6.848 -2.694 6.286 1.00 62.43 H new ATOM 0 HD11 LEU A 76 4.931 -2.006 4.903 1.00 44.23 H new ATOM 0 HD12 LEU A 76 6.439 -1.217 4.384 1.00 44.23 H new ATOM 0 HD13 LEU A 76 5.779 -2.578 3.447 1.00 44.23 H new ATOM 0 HD21 LEU A 76 4.989 -4.270 5.915 1.00 24.21 H new ATOM 0 HD22 LEU A 76 5.849 -4.946 4.510 1.00 24.21 H new ATOM 0 HD23 LEU A 76 6.538 -5.117 6.142 1.00 24.21 H new ATOM 656 N ARG A 77 8.808 -0.459 6.412 1.00 12.14 N ATOM 657 CA ARG A 77 8.822 0.093 7.769 1.00 4.44 C ATOM 658 C ARG A 77 7.604 -0.379 8.571 1.00 1.53 C ATOM 659 O ARG A 77 7.739 -0.891 9.683 1.00 45.35 O ATOM 660 CB ARG A 77 8.841 1.630 7.737 1.00 62.54 C ATOM 661 CG ARG A 77 8.764 2.267 9.127 1.00 10.01 C ATOM 662 CD ARG A 77 8.723 3.789 9.064 1.00 10.34 C ATOM 663 NE ARG A 77 9.966 4.359 8.553 1.00 64.43 N ATOM 664 CZ ARG A 77 10.161 5.633 8.359 1.00 72.12 C ATOM 665 NH1 ARG A 77 9.224 6.488 8.617 1.00 52.45 N ATOM 666 NH2 ARG A 77 11.300 6.051 7.915 1.00 21.50 N ATOM 0 H ARG A 77 8.456 0.181 5.700 1.00 12.14 H new ATOM 0 HA ARG A 77 9.729 -0.268 8.254 1.00 4.44 H new ATOM 0 HB2 ARG A 77 9.753 1.965 7.242 1.00 62.54 H new ATOM 0 HB3 ARG A 77 8.003 1.984 7.136 1.00 62.54 H new ATOM 0 HG2 ARG A 77 7.875 1.903 9.642 1.00 10.01 H new ATOM 0 HG3 ARG A 77 9.625 1.953 9.716 1.00 10.01 H new ATOM 0 HD2 ARG A 77 7.895 4.101 8.428 1.00 10.34 H new ATOM 0 HD3 ARG A 77 8.527 4.186 10.060 1.00 10.34 H new ATOM 0 HE ARG A 77 10.730 3.720 8.334 1.00 64.43 H new ATOM 0 HH11 ARG A 77 8.325 6.166 8.975 1.00 52.45 H new ATOM 0 HH12 ARG A 77 9.385 7.483 8.462 1.00 52.45 H new ATOM 0 HH21 ARG A 77 12.046 5.384 7.717 1.00 21.50 H new ATOM 0 HH22 ARG A 77 11.453 7.048 7.763 1.00 21.50 H new ATOM 680 N GLU A 78 6.414 -0.208 7.994 1.00 23.05 N ATOM 681 CA GLU A 78 5.167 -0.479 8.717 1.00 54.23 C ATOM 682 C GLU A 78 3.994 -0.777 7.769 1.00 25.54 C ATOM 683 O GLU A 78 3.924 -0.251 6.653 1.00 74.10 O ATOM 684 CB GLU A 78 4.826 0.728 9.602 1.00 34.24 C ATOM 685 CG GLU A 78 4.645 2.033 8.823 1.00 14.23 C ATOM 686 CD GLU A 78 4.607 3.266 9.717 1.00 32.22 C ATOM 687 OE1 GLU A 78 3.824 3.281 10.691 1.00 70.14 O ATOM 688 OE2 GLU A 78 5.360 4.228 9.449 1.00 73.21 O ATOM 0 H GLU A 78 6.285 0.115 7.035 1.00 23.05 H new ATOM 0 HA GLU A 78 5.321 -1.369 9.327 1.00 54.23 H new ATOM 0 HB2 GLU A 78 3.910 0.515 10.154 1.00 34.24 H new ATOM 0 HB3 GLU A 78 5.618 0.862 10.339 1.00 34.24 H new ATOM 0 HG2 GLU A 78 5.460 2.137 8.107 1.00 14.23 H new ATOM 0 HG3 GLU A 78 3.720 1.980 8.248 1.00 14.23 H new ATOM 695 N ILE A 79 3.078 -1.631 8.226 1.00 64.21 N ATOM 696 CA ILE A 79 1.850 -1.942 7.486 1.00 52.20 C ATOM 697 C ILE A 79 0.652 -1.165 8.060 1.00 73.23 C ATOM 698 O ILE A 79 0.306 -1.325 9.233 1.00 71.51 O ATOM 699 CB ILE A 79 1.539 -3.463 7.529 1.00 70.51 C ATOM 700 CG1 ILE A 79 2.659 -4.252 6.836 1.00 72.15 C ATOM 701 CG2 ILE A 79 0.183 -3.765 6.883 1.00 5.14 C ATOM 702 CD1 ILE A 79 2.436 -5.751 6.812 1.00 50.22 C ATOM 0 H ILE A 79 3.163 -2.125 9.114 1.00 64.21 H new ATOM 0 HA ILE A 79 2.012 -1.642 6.451 1.00 52.20 H new ATOM 0 HB ILE A 79 1.487 -3.774 8.572 1.00 70.51 H new ATOM 0 HG12 ILE A 79 2.761 -3.894 5.811 1.00 72.15 H new ATOM 0 HG13 ILE A 79 3.602 -4.044 7.341 1.00 72.15 H new ATOM 0 HG21 ILE A 79 -0.010 -4.837 6.926 1.00 5.14 H new ATOM 0 HG22 ILE A 79 -0.602 -3.233 7.420 1.00 5.14 H new ATOM 0 HG23 ILE A 79 0.195 -3.440 5.842 1.00 5.14 H new ATOM 0 HD11 ILE A 79 3.271 -6.235 6.305 1.00 50.22 H new ATOM 0 HD12 ILE A 79 2.365 -6.125 7.833 1.00 50.22 H new ATOM 0 HD13 ILE A 79 1.511 -5.973 6.280 1.00 50.22 H new ATOM 714 N PRO A 80 -0.004 -0.317 7.243 1.00 25.43 N ATOM 715 CA PRO A 80 -1.159 0.481 7.693 1.00 35.11 C ATOM 716 C PRO A 80 -2.357 -0.383 8.133 1.00 13.22 C ATOM 717 O PRO A 80 -2.644 -1.419 7.536 1.00 34.42 O ATOM 718 CB PRO A 80 -1.523 1.318 6.450 1.00 65.11 C ATOM 719 CG PRO A 80 -0.934 0.573 5.300 1.00 42.13 C ATOM 720 CD PRO A 80 0.327 -0.054 5.829 1.00 64.23 C ATOM 0 HA PRO A 80 -0.914 1.077 8.573 1.00 35.11 H new ATOM 0 HB2 PRO A 80 -2.603 1.419 6.344 1.00 65.11 H new ATOM 0 HB3 PRO A 80 -1.114 2.326 6.519 1.00 65.11 H new ATOM 0 HG2 PRO A 80 -1.624 -0.185 4.930 1.00 42.13 H new ATOM 0 HG3 PRO A 80 -0.720 1.243 4.467 1.00 42.13 H new ATOM 0 HD2 PRO A 80 0.577 -0.971 5.295 1.00 64.23 H new ATOM 0 HD3 PRO A 80 1.182 0.615 5.732 1.00 64.23 H new ATOM 728 N HIS A 81 -3.058 0.058 9.184 1.00 11.32 N ATOM 729 CA HIS A 81 -4.281 -0.621 9.651 1.00 23.04 C ATOM 730 C HIS A 81 -5.313 -0.763 8.518 1.00 5.14 C ATOM 731 O HIS A 81 -6.148 -1.667 8.523 1.00 35.41 O ATOM 732 CB HIS A 81 -4.904 0.155 10.821 1.00 14.45 C ATOM 733 CG HIS A 81 -5.367 1.538 10.460 1.00 10.35 C ATOM 734 ND1 HIS A 81 -6.635 1.811 9.995 1.00 34.54 N ATOM 735 CD2 HIS A 81 -4.720 2.728 10.491 1.00 20.01 C ATOM 736 CE1 HIS A 81 -6.747 3.103 9.757 1.00 31.43 C ATOM 737 NE2 HIS A 81 -5.601 3.680 10.049 1.00 35.40 N ATOM 0 H HIS A 81 -2.803 0.881 9.730 1.00 11.32 H new ATOM 0 HA HIS A 81 -3.999 -1.620 9.984 1.00 23.04 H new ATOM 0 HB2 HIS A 81 -5.751 -0.411 11.209 1.00 14.45 H new ATOM 0 HB3 HIS A 81 -4.173 0.226 11.626 1.00 14.45 H new ATOM 0 HD2 HIS A 81 -3.700 2.895 10.805 1.00 20.01 H new ATOM 0 HE1 HIS A 81 -7.629 3.603 9.386 1.00 31.43 H new ATOM 0 HE2 HIS A 81 -5.401 4.676 9.961 1.00 35.40 H new ATOM 746 N ASN A 82 -5.221 0.138 7.544 1.00 31.34 N ATOM 747 CA ASN A 82 -6.148 0.195 6.409 1.00 73.54 C ATOM 748 C ASN A 82 -5.777 -0.831 5.310 1.00 64.31 C ATOM 749 O ASN A 82 -6.361 -0.833 4.234 1.00 65.21 O ATOM 750 CB ASN A 82 -6.130 1.638 5.861 1.00 30.43 C ATOM 751 CG ASN A 82 -7.046 1.863 4.669 1.00 50.24 C ATOM 752 OD1 ASN A 82 -8.231 2.148 4.824 1.00 5.35 O ATOM 753 ND2 ASN A 82 -6.498 1.771 3.474 1.00 64.01 N ATOM 0 H ASN A 82 -4.497 0.856 7.516 1.00 31.34 H new ATOM 0 HA ASN A 82 -7.152 -0.070 6.740 1.00 73.54 H new ATOM 0 HB2 ASN A 82 -6.417 2.322 6.660 1.00 30.43 H new ATOM 0 HB3 ASN A 82 -5.110 1.893 5.574 1.00 30.43 H new ATOM 0 HD21 ASN A 82 -7.061 1.939 2.640 1.00 64.01 H new ATOM 0 HD22 ASN A 82 -5.511 1.532 3.383 1.00 64.01 H new ATOM 760 N ALA A 83 -4.823 -1.721 5.601 1.00 63.04 N ATOM 761 CA ALA A 83 -4.333 -2.693 4.607 1.00 3.13 C ATOM 762 C ALA A 83 -5.272 -3.900 4.421 1.00 52.10 C ATOM 763 O ALA A 83 -5.103 -4.686 3.486 1.00 71.00 O ATOM 764 CB ALA A 83 -2.936 -3.170 4.991 1.00 63.44 C ATOM 0 H ALA A 83 -4.373 -1.792 6.514 1.00 63.04 H new ATOM 0 HA ALA A 83 -4.302 -2.173 3.649 1.00 3.13 H new ATOM 0 HB1 ALA A 83 -2.581 -3.888 4.252 1.00 63.44 H new ATOM 0 HB2 ALA A 83 -2.257 -2.318 5.025 1.00 63.44 H new ATOM 0 HB3 ALA A 83 -2.971 -3.645 5.971 1.00 63.44 H new ATOM 770 N THR A 84 -6.252 -4.058 5.312 1.00 45.21 N ATOM 771 CA THR A 84 -7.187 -5.195 5.241 1.00 61.33 C ATOM 772 C THR A 84 -8.626 -4.774 5.561 1.00 51.23 C ATOM 773 O THR A 84 -8.860 -3.969 6.464 1.00 4.21 O ATOM 774 CB THR A 84 -6.799 -6.331 6.221 1.00 22.43 C ATOM 775 OG1 THR A 84 -6.859 -5.861 7.582 1.00 11.13 O ATOM 776 CG2 THR A 84 -5.401 -6.872 5.925 1.00 2.14 C ATOM 0 H THR A 84 -6.423 -3.420 6.089 1.00 45.21 H new ATOM 0 HA THR A 84 -7.125 -5.556 4.215 1.00 61.33 H new ATOM 0 HB THR A 84 -7.515 -7.142 6.085 1.00 22.43 H new ATOM 0 HG1 THR A 84 -6.613 -6.589 8.191 1.00 11.13 H new ATOM 0 HG21 THR A 84 -5.162 -7.667 6.631 1.00 2.14 H new ATOM 0 HG22 THR A 84 -5.371 -7.267 4.910 1.00 2.14 H new ATOM 0 HG23 THR A 84 -4.671 -6.068 6.023 1.00 2.14 H new ATOM 784 N GLY A 85 -9.587 -5.324 4.823 1.00 74.32 N ATOM 785 CA GLY A 85 -10.993 -5.078 5.124 1.00 21.11 C ATOM 786 C GLY A 85 -11.910 -5.292 3.925 1.00 74.11 C ATOM 787 O GLY A 85 -11.506 -5.872 2.914 1.00 52.33 O ATOM 0 H GLY A 85 -9.421 -5.935 4.023 1.00 74.32 H new ATOM 0 HA2 GLY A 85 -11.305 -5.737 5.934 1.00 21.11 H new ATOM 0 HA3 GLY A 85 -11.108 -4.055 5.483 1.00 21.11 H new ATOM 791 N ASN A 86 -13.157 -4.850 4.049 1.00 13.32 N ATOM 792 CA ASN A 86 -14.113 -4.874 2.942 1.00 52.31 C ATOM 793 C ASN A 86 -14.326 -3.460 2.389 1.00 1.04 C ATOM 794 O ASN A 86 -14.358 -2.489 3.147 1.00 52.22 O ATOM 795 CB ASN A 86 -15.450 -5.473 3.403 1.00 2.10 C ATOM 796 CG ASN A 86 -16.049 -4.758 4.602 1.00 55.24 C ATOM 797 OD1 ASN A 86 -15.340 -4.241 5.458 1.00 60.43 O ATOM 798 ND2 ASN A 86 -17.364 -4.732 4.678 1.00 22.10 N ATOM 0 H ASN A 86 -13.535 -4.466 4.915 1.00 13.32 H new ATOM 0 HA ASN A 86 -13.707 -5.500 2.148 1.00 52.31 H new ATOM 0 HB2 ASN A 86 -16.160 -5.438 2.576 1.00 2.10 H new ATOM 0 HB3 ASN A 86 -15.302 -6.524 3.652 1.00 2.10 H new ATOM 0 HD21 ASN A 86 -17.820 -4.272 5.466 1.00 22.10 H new ATOM 0 HD22 ASN A 86 -17.926 -5.172 3.949 1.00 22.10 H new ATOM 805 N ILE A 87 -14.457 -3.337 1.071 1.00 22.43 N ATOM 806 CA ILE A 87 -14.646 -2.026 0.456 1.00 64.11 C ATOM 807 C ILE A 87 -16.024 -1.454 0.814 1.00 64.31 C ATOM 808 O ILE A 87 -17.030 -1.743 0.160 1.00 32.32 O ATOM 809 CB ILE A 87 -14.501 -2.080 -1.086 1.00 12.23 C ATOM 810 CG1 ILE A 87 -13.195 -2.786 -1.486 1.00 51.32 C ATOM 811 CG2 ILE A 87 -14.541 -0.668 -1.668 1.00 73.22 C ATOM 812 CD1 ILE A 87 -12.962 -2.844 -2.984 1.00 33.14 C ATOM 0 H ILE A 87 -14.436 -4.118 0.415 1.00 22.43 H new ATOM 0 HA ILE A 87 -13.864 -1.377 0.851 1.00 64.11 H new ATOM 0 HB ILE A 87 -15.336 -2.652 -1.491 1.00 12.23 H new ATOM 0 HG12 ILE A 87 -12.357 -2.271 -1.017 1.00 51.32 H new ATOM 0 HG13 ILE A 87 -13.206 -3.802 -1.090 1.00 51.32 H new ATOM 0 HG21 ILE A 87 -14.438 -0.718 -2.752 1.00 73.22 H new ATOM 0 HG22 ILE A 87 -15.491 -0.197 -1.415 1.00 73.22 H new ATOM 0 HG23 ILE A 87 -13.722 -0.080 -1.253 1.00 73.22 H new ATOM 0 HD11 ILE A 87 -12.022 -3.356 -3.186 1.00 33.14 H new ATOM 0 HD12 ILE A 87 -13.780 -3.386 -3.459 1.00 33.14 H new ATOM 0 HD13 ILE A 87 -12.917 -1.831 -3.385 1.00 33.14 H new ATOM 824 N THR A 88 -16.060 -0.657 1.874 1.00 54.15 N ATOM 825 CA THR A 88 -17.294 -0.007 2.326 1.00 61.12 C ATOM 826 C THR A 88 -17.383 1.430 1.804 1.00 3.21 C ATOM 827 O THR A 88 -18.370 2.134 2.029 1.00 43.21 O ATOM 828 CB THR A 88 -17.377 0.007 3.870 1.00 52.43 C ATOM 829 OG1 THR A 88 -16.319 0.812 4.414 1.00 65.21 O ATOM 830 CG2 THR A 88 -17.281 -1.411 4.434 1.00 51.31 C ATOM 0 H THR A 88 -15.243 -0.441 2.445 1.00 54.15 H new ATOM 0 HA THR A 88 -18.129 -0.583 1.927 1.00 61.12 H new ATOM 0 HB THR A 88 -18.340 0.432 4.153 1.00 52.43 H new ATOM 0 HG1 THR A 88 -16.381 0.816 5.392 1.00 65.21 H new ATOM 0 HG21 THR A 88 -17.342 -1.375 5.522 1.00 51.31 H new ATOM 0 HG22 THR A 88 -18.101 -2.014 4.045 1.00 51.31 H new ATOM 0 HG23 THR A 88 -16.331 -1.857 4.138 1.00 51.31 H new ATOM 838 N ASP A 89 -16.337 1.849 1.096 1.00 3.35 N ATOM 839 CA ASP A 89 -16.271 3.178 0.491 1.00 33.22 C ATOM 840 C ASP A 89 -15.352 3.133 -0.742 1.00 21.33 C ATOM 841 O ASP A 89 -14.409 2.345 -0.786 1.00 12.12 O ATOM 842 CB ASP A 89 -15.746 4.196 1.518 1.00 24.31 C ATOM 843 CG ASP A 89 -16.197 5.617 1.231 1.00 22.02 C ATOM 844 OD1 ASP A 89 -15.762 6.195 0.216 1.00 72.15 O ATOM 845 OD2 ASP A 89 -16.994 6.162 2.023 1.00 33.33 O ATOM 0 H ASP A 89 -15.510 1.277 0.925 1.00 3.35 H new ATOM 0 HA ASP A 89 -17.268 3.487 0.178 1.00 33.22 H new ATOM 0 HB2 ASP A 89 -16.085 3.907 2.513 1.00 24.31 H new ATOM 0 HB3 ASP A 89 -14.657 4.162 1.530 1.00 24.31 H new ATOM 850 N THR A 90 -15.623 3.962 -1.741 1.00 2.51 N ATOM 851 CA THR A 90 -14.810 3.961 -2.966 1.00 41.03 C ATOM 852 C THR A 90 -13.609 4.901 -2.847 1.00 55.04 C ATOM 853 O THR A 90 -13.665 5.920 -2.159 1.00 44.42 O ATOM 854 CB THR A 90 -15.631 4.353 -4.217 1.00 44.42 C ATOM 855 OG1 THR A 90 -14.787 4.351 -5.380 1.00 43.43 O ATOM 856 CG2 THR A 90 -16.284 5.723 -4.053 1.00 0.15 C ATOM 0 H THR A 90 -16.387 4.638 -1.736 1.00 2.51 H new ATOM 0 HA THR A 90 -14.458 2.937 -3.087 1.00 41.03 H new ATOM 0 HB THR A 90 -16.424 3.615 -4.340 1.00 44.42 H new ATOM 0 HG1 THR A 90 -15.121 3.693 -6.025 1.00 43.43 H new ATOM 0 HG21 THR A 90 -16.852 5.965 -4.951 1.00 0.15 H new ATOM 0 HG22 THR A 90 -16.954 5.706 -3.193 1.00 0.15 H new ATOM 0 HG23 THR A 90 -15.513 6.477 -3.897 1.00 0.15 H new ATOM 864 N GLY A 91 -12.521 4.546 -3.518 1.00 3.31 N ATOM 865 CA GLY A 91 -11.315 5.366 -3.485 1.00 42.43 C ATOM 866 C GLY A 91 -10.491 5.194 -2.212 1.00 11.15 C ATOM 867 O GLY A 91 -9.760 6.099 -1.813 1.00 75.40 O ATOM 0 H GLY A 91 -12.447 3.703 -4.088 1.00 3.31 H new ATOM 0 HA2 GLY A 91 -10.694 5.118 -4.346 1.00 42.43 H new ATOM 0 HA3 GLY A 91 -11.596 6.414 -3.586 1.00 42.43 H new ATOM 871 N ILE A 92 -10.613 4.034 -1.566 1.00 14.54 N ATOM 872 CA ILE A 92 -9.798 3.720 -0.386 1.00 62.20 C ATOM 873 C ILE A 92 -8.336 3.498 -0.797 1.00 64.53 C ATOM 874 O ILE A 92 -8.064 2.812 -1.778 1.00 42.44 O ATOM 875 CB ILE A 92 -10.322 2.452 0.345 1.00 75.24 C ATOM 876 CG1 ILE A 92 -11.745 2.683 0.882 1.00 73.23 C ATOM 877 CG2 ILE A 92 -9.374 2.043 1.477 1.00 41.32 C ATOM 878 CD1 ILE A 92 -12.351 1.468 1.560 1.00 71.30 C ATOM 0 H ILE A 92 -11.265 3.297 -1.836 1.00 14.54 H new ATOM 0 HA ILE A 92 -9.866 4.567 0.296 1.00 62.20 H new ATOM 0 HB ILE A 92 -10.358 1.636 -0.376 1.00 75.24 H new ATOM 0 HG12 ILE A 92 -11.725 3.511 1.591 1.00 73.23 H new ATOM 0 HG13 ILE A 92 -12.390 2.986 0.057 1.00 73.23 H new ATOM 0 HG21 ILE A 92 -9.762 1.154 1.973 1.00 41.32 H new ATOM 0 HG22 ILE A 92 -8.388 1.828 1.066 1.00 41.32 H new ATOM 0 HG23 ILE A 92 -9.297 2.856 2.199 1.00 41.32 H new ATOM 0 HD11 ILE A 92 -13.354 1.710 1.911 1.00 71.30 H new ATOM 0 HD12 ILE A 92 -12.405 0.644 0.849 1.00 71.30 H new ATOM 0 HD13 ILE A 92 -11.730 1.177 2.407 1.00 71.30 H new ATOM 890 N ILE A 93 -7.392 4.083 -0.062 1.00 52.03 N ATOM 891 CA ILE A 93 -5.976 3.937 -0.406 1.00 61.25 C ATOM 892 C ILE A 93 -5.155 3.300 0.723 1.00 61.31 C ATOM 893 O ILE A 93 -5.064 3.834 1.830 1.00 72.01 O ATOM 894 CB ILE A 93 -5.343 5.291 -0.824 1.00 43.00 C ATOM 895 CG1 ILE A 93 -6.047 5.815 -2.093 1.00 31.21 C ATOM 896 CG2 ILE A 93 -3.833 5.143 -1.044 1.00 44.52 C ATOM 897 CD1 ILE A 93 -5.381 7.013 -2.736 1.00 3.32 C ATOM 0 H ILE A 93 -7.575 4.654 0.763 1.00 52.03 H new ATOM 0 HA ILE A 93 -5.947 3.259 -1.259 1.00 61.25 H new ATOM 0 HB ILE A 93 -5.482 6.016 -0.022 1.00 43.00 H new ATOM 0 HG12 ILE A 93 -6.097 5.008 -2.824 1.00 31.21 H new ATOM 0 HG13 ILE A 93 -7.074 6.079 -1.840 1.00 31.21 H new ATOM 0 HG21 ILE A 93 -3.412 6.105 -1.336 1.00 44.52 H new ATOM 0 HG22 ILE A 93 -3.362 4.806 -0.121 1.00 44.52 H new ATOM 0 HG23 ILE A 93 -3.650 4.412 -1.832 1.00 44.52 H new ATOM 0 HD11 ILE A 93 -5.944 7.312 -3.620 1.00 3.32 H new ATOM 0 HD12 ILE A 93 -5.355 7.840 -2.026 1.00 3.32 H new ATOM 0 HD13 ILE A 93 -4.363 6.752 -3.026 1.00 3.32 H new ATOM 909 N VAL A 94 -4.573 2.141 0.427 1.00 14.13 N ATOM 910 CA VAL A 94 -3.644 1.472 1.334 1.00 34.20 C ATOM 911 C VAL A 94 -2.202 1.885 1.013 1.00 32.52 C ATOM 912 O VAL A 94 -1.631 1.443 0.023 1.00 4.51 O ATOM 913 CB VAL A 94 -3.753 -0.068 1.230 1.00 2.21 C ATOM 914 CG1 VAL A 94 -2.836 -0.735 2.255 1.00 43.23 C ATOM 915 CG2 VAL A 94 -5.204 -0.523 1.394 1.00 73.41 C ATOM 0 H VAL A 94 -4.732 1.640 -0.447 1.00 14.13 H new ATOM 0 HA VAL A 94 -3.908 1.775 2.347 1.00 34.20 H new ATOM 0 HB VAL A 94 -3.426 -0.375 0.237 1.00 2.21 H new ATOM 0 HG11 VAL A 94 -2.923 -1.818 2.170 1.00 43.23 H new ATOM 0 HG12 VAL A 94 -1.804 -0.438 2.068 1.00 43.23 H new ATOM 0 HG13 VAL A 94 -3.126 -0.425 3.259 1.00 43.23 H new ATOM 0 HG21 VAL A 94 -5.256 -1.609 1.317 1.00 73.41 H new ATOM 0 HG22 VAL A 94 -5.575 -0.210 2.370 1.00 73.41 H new ATOM 0 HG23 VAL A 94 -5.817 -0.074 0.612 1.00 73.41 H new ATOM 925 N ARG A 95 -1.618 2.734 1.845 1.00 62.21 N ATOM 926 CA ARG A 95 -0.288 3.288 1.562 1.00 64.41 C ATOM 927 C ARG A 95 0.788 2.717 2.506 1.00 72.35 C ATOM 928 O ARG A 95 0.820 3.037 3.696 1.00 14.44 O ATOM 929 CB ARG A 95 -0.329 4.823 1.657 1.00 75.45 C ATOM 930 CG ARG A 95 0.976 5.497 1.262 1.00 53.41 C ATOM 931 CD ARG A 95 0.887 7.024 1.321 1.00 32.45 C ATOM 932 NE ARG A 95 0.243 7.592 0.135 1.00 70.45 N ATOM 933 CZ ARG A 95 -0.045 8.857 -0.010 1.00 44.23 C ATOM 934 NH1 ARG A 95 0.162 9.703 0.948 1.00 63.33 N ATOM 935 NH2 ARG A 95 -0.542 9.276 -1.126 1.00 44.23 N ATOM 0 H ARG A 95 -2.035 3.057 2.718 1.00 62.21 H new ATOM 0 HA ARG A 95 -0.014 2.996 0.548 1.00 64.41 H new ATOM 0 HB2 ARG A 95 -1.128 5.196 1.017 1.00 75.45 H new ATOM 0 HB3 ARG A 95 -0.580 5.108 2.679 1.00 75.45 H new ATOM 0 HG2 ARG A 95 1.772 5.157 1.924 1.00 53.41 H new ATOM 0 HG3 ARG A 95 1.249 5.191 0.252 1.00 53.41 H new ATOM 0 HD2 ARG A 95 0.329 7.319 2.210 1.00 32.45 H new ATOM 0 HD3 ARG A 95 1.889 7.440 1.421 1.00 32.45 H new ATOM 0 HE ARG A 95 0.004 6.958 -0.627 1.00 70.45 H new ATOM 0 HH11 ARG A 95 0.556 9.385 1.833 1.00 63.33 H new ATOM 0 HH12 ARG A 95 -0.069 10.688 0.817 1.00 63.33 H new ATOM 0 HH21 ARG A 95 -0.708 8.620 -1.889 1.00 44.23 H new ATOM 0 HH22 ARG A 95 -0.769 10.263 -1.244 1.00 44.23 H new ATOM 949 N TYR A 96 1.660 1.868 1.962 1.00 1.35 N ATOM 950 CA TYR A 96 2.765 1.274 2.725 1.00 3.05 C ATOM 951 C TYR A 96 3.973 2.217 2.803 1.00 61.44 C ATOM 952 O TYR A 96 4.329 2.875 1.823 1.00 23.15 O ATOM 953 CB TYR A 96 3.189 -0.055 2.089 1.00 40.30 C ATOM 954 CG TYR A 96 2.192 -1.174 2.299 1.00 44.33 C ATOM 955 CD1 TYR A 96 1.041 -1.265 1.525 1.00 24.33 C ATOM 956 CD2 TYR A 96 2.406 -2.143 3.272 1.00 42.25 C ATOM 957 CE1 TYR A 96 0.135 -2.287 1.719 1.00 41.13 C ATOM 958 CE2 TYR A 96 1.504 -3.168 3.469 1.00 31.31 C ATOM 959 CZ TYR A 96 0.372 -3.236 2.692 1.00 61.41 C ATOM 960 OH TYR A 96 -0.526 -4.259 2.885 1.00 5.31 O ATOM 0 H TYR A 96 1.624 1.572 0.987 1.00 1.35 H new ATOM 0 HA TYR A 96 2.408 1.099 3.740 1.00 3.05 H new ATOM 0 HB2 TYR A 96 3.335 0.094 1.019 1.00 40.30 H new ATOM 0 HB3 TYR A 96 4.152 -0.355 2.503 1.00 40.30 H new ATOM 0 HD1 TYR A 96 0.853 -0.525 0.761 1.00 24.33 H new ATOM 0 HD2 TYR A 96 3.294 -2.093 3.885 1.00 42.25 H new ATOM 0 HE1 TYR A 96 -0.756 -2.344 1.112 1.00 41.13 H new ATOM 0 HE2 TYR A 96 1.686 -3.913 4.229 1.00 31.31 H new ATOM 0 HH TYR A 96 -0.209 -4.841 3.607 1.00 5.31 H new ATOM 970 N ILE A 97 4.604 2.259 3.977 1.00 3.43 N ATOM 971 CA ILE A 97 5.771 3.117 4.216 1.00 60.42 C ATOM 972 C ILE A 97 7.071 2.293 4.188 1.00 34.12 C ATOM 973 O ILE A 97 7.193 1.293 4.901 1.00 51.43 O ATOM 974 CB ILE A 97 5.656 3.828 5.590 1.00 11.11 C ATOM 975 CG1 ILE A 97 4.288 4.523 5.722 1.00 1.21 C ATOM 976 CG2 ILE A 97 6.797 4.830 5.781 1.00 73.43 C ATOM 977 CD1 ILE A 97 4.054 5.627 4.708 1.00 21.11 C ATOM 0 H ILE A 97 4.325 1.704 4.786 1.00 3.43 H new ATOM 0 HA ILE A 97 5.799 3.863 3.421 1.00 60.42 H new ATOM 0 HB ILE A 97 5.736 3.075 6.375 1.00 11.11 H new ATOM 0 HG12 ILE A 97 3.501 3.776 5.618 1.00 1.21 H new ATOM 0 HG13 ILE A 97 4.200 4.941 6.725 1.00 1.21 H new ATOM 0 HG21 ILE A 97 6.696 5.316 6.751 1.00 73.43 H new ATOM 0 HG22 ILE A 97 7.752 4.307 5.735 1.00 73.43 H new ATOM 0 HG23 ILE A 97 6.757 5.582 4.993 1.00 73.43 H new ATOM 0 HD11 ILE A 97 3.069 6.065 4.868 1.00 21.11 H new ATOM 0 HD12 ILE A 97 4.817 6.396 4.825 1.00 21.11 H new ATOM 0 HD13 ILE A 97 4.108 5.213 3.701 1.00 21.11 H new ATOM 989 N TYR A 98 8.034 2.707 3.364 1.00 42.31 N ATOM 990 CA TYR A 98 9.318 1.997 3.255 1.00 44.33 C ATOM 991 C TYR A 98 10.506 2.878 3.658 1.00 43.41 C ATOM 992 O TYR A 98 10.487 4.097 3.484 1.00 21.34 O ATOM 993 CB TYR A 98 9.535 1.487 1.823 1.00 0.31 C ATOM 994 CG TYR A 98 8.458 0.535 1.339 1.00 21.32 C ATOM 995 CD1 TYR A 98 8.547 -0.827 1.597 1.00 53.14 C ATOM 996 CD2 TYR A 98 7.354 0.994 0.628 1.00 44.24 C ATOM 997 CE1 TYR A 98 7.573 -1.702 1.164 1.00 4.42 C ATOM 998 CE2 TYR A 98 6.376 0.122 0.192 1.00 21.14 C ATOM 999 CZ TYR A 98 6.492 -1.224 0.463 1.00 25.40 C ATOM 1000 OH TYR A 98 5.522 -2.096 0.025 1.00 11.23 O ATOM 0 H TYR A 98 7.954 3.527 2.762 1.00 42.31 H new ATOM 0 HA TYR A 98 9.267 1.156 3.946 1.00 44.33 H new ATOM 0 HB2 TYR A 98 9.582 2.341 1.147 1.00 0.31 H new ATOM 0 HB3 TYR A 98 10.501 0.985 1.769 1.00 0.31 H new ATOM 0 HD1 TYR A 98 9.395 -1.208 2.147 1.00 53.14 H new ATOM 0 HD2 TYR A 98 7.260 2.048 0.414 1.00 44.24 H new ATOM 0 HE1 TYR A 98 7.659 -2.758 1.375 1.00 4.42 H new ATOM 0 HE2 TYR A 98 5.524 0.493 -0.359 1.00 21.14 H new ATOM 0 HH TYR A 98 4.689 -1.932 0.515 1.00 11.23 H new ATOM 1010 N ASP A 99 11.530 2.236 4.206 1.00 54.34 N ATOM 1011 CA ASP A 99 12.793 2.892 4.523 1.00 73.42 C ATOM 1012 C ASP A 99 13.818 2.705 3.393 1.00 21.53 C ATOM 1013 O ASP A 99 13.940 1.618 2.816 1.00 42.24 O ATOM 1014 CB ASP A 99 13.359 2.327 5.834 1.00 73.11 C ATOM 1015 CG ASP A 99 12.773 2.998 7.066 1.00 53.10 C ATOM 1016 OD1 ASP A 99 13.173 4.144 7.366 1.00 74.43 O ATOM 1017 OD2 ASP A 99 11.916 2.393 7.737 1.00 3.22 O ATOM 0 H ASP A 99 11.508 1.244 4.444 1.00 54.34 H new ATOM 0 HA ASP A 99 12.601 3.959 4.635 1.00 73.42 H new ATOM 0 HB2 ASP A 99 13.159 1.256 5.879 1.00 73.11 H new ATOM 0 HB3 ASP A 99 14.442 2.450 5.840 1.00 73.11 H new ATOM 1022 N LYS A 100 14.550 3.769 3.082 1.00 51.55 N ATOM 1023 CA LYS A 100 15.609 3.705 2.075 1.00 12.54 C ATOM 1024 C LYS A 100 16.789 2.868 2.587 1.00 23.30 C ATOM 1025 O LYS A 100 17.365 3.158 3.638 1.00 23.32 O ATOM 1026 CB LYS A 100 16.096 5.118 1.714 1.00 11.02 C ATOM 1027 CG LYS A 100 16.490 5.300 0.248 1.00 55.15 C ATOM 1028 CD LYS A 100 17.417 4.207 -0.271 1.00 53.35 C ATOM 1029 CE LYS A 100 17.808 4.445 -1.724 1.00 21.05 C ATOM 1030 NZ LYS A 100 18.501 5.746 -1.913 1.00 62.22 N ATOM 0 H LYS A 100 14.432 4.687 3.511 1.00 51.55 H new ATOM 0 HA LYS A 100 15.199 3.232 1.183 1.00 12.54 H new ATOM 0 HB2 LYS A 100 15.309 5.832 1.957 1.00 11.02 H new ATOM 0 HB3 LYS A 100 16.954 5.364 2.340 1.00 11.02 H new ATOM 0 HG2 LYS A 100 15.588 5.321 -0.363 1.00 55.15 H new ATOM 0 HG3 LYS A 100 16.978 6.267 0.128 1.00 55.15 H new ATOM 0 HD2 LYS A 100 18.315 4.168 0.346 1.00 53.35 H new ATOM 0 HD3 LYS A 100 16.925 3.239 -0.180 1.00 53.35 H new ATOM 0 HE2 LYS A 100 18.458 3.637 -2.061 1.00 21.05 H new ATOM 0 HE3 LYS A 100 16.915 4.417 -2.348 1.00 21.05 H new ATOM 0 HZ1 LYS A 100 18.954 5.765 -2.849 1.00 62.22 H new ATOM 0 HZ2 LYS A 100 17.810 6.520 -1.847 1.00 62.22 H new ATOM 0 HZ3 LYS A 100 19.225 5.864 -1.175 1.00 62.22 H new ATOM 1044 N ILE A 101 17.157 1.840 1.834 1.00 50.32 N ATOM 1045 CA ILE A 101 18.281 0.987 2.213 1.00 54.34 C ATOM 1046 C ILE A 101 19.602 1.586 1.710 1.00 44.24 C ATOM 1047 O ILE A 101 19.935 1.503 0.529 1.00 51.14 O ATOM 1048 CB ILE A 101 18.109 -0.452 1.660 1.00 10.40 C ATOM 1049 CG1 ILE A 101 16.794 -1.067 2.160 1.00 44.43 C ATOM 1050 CG2 ILE A 101 19.283 -1.331 2.067 1.00 60.55 C ATOM 1051 CD1 ILE A 101 16.561 -2.486 1.678 1.00 3.11 C ATOM 0 H ILE A 101 16.698 1.576 0.962 1.00 50.32 H new ATOM 0 HA ILE A 101 18.304 0.934 3.301 1.00 54.34 H new ATOM 0 HB ILE A 101 18.079 -0.394 0.572 1.00 10.40 H new ATOM 0 HG12 ILE A 101 16.791 -1.058 3.250 1.00 44.43 H new ATOM 0 HG13 ILE A 101 15.963 -0.441 1.834 1.00 44.43 H new ATOM 0 HG21 ILE A 101 19.141 -2.335 1.668 1.00 60.55 H new ATOM 0 HG22 ILE A 101 20.207 -0.910 1.670 1.00 60.55 H new ATOM 0 HG23 ILE A 101 19.343 -1.377 3.154 1.00 60.55 H new ATOM 0 HD11 ILE A 101 15.613 -2.853 2.072 1.00 3.11 H new ATOM 0 HD12 ILE A 101 16.531 -2.500 0.588 1.00 3.11 H new ATOM 0 HD13 ILE A 101 17.371 -3.126 2.027 1.00 3.11 H new ATOM 1063 N ILE A 102 20.337 2.207 2.623 1.00 21.04 N ATOM 1064 CA ILE A 102 21.634 2.822 2.310 1.00 64.43 C ATOM 1065 C ILE A 102 22.768 2.084 3.053 1.00 31.11 C ATOM 1066 O ILE A 102 23.873 2.600 3.225 1.00 71.11 O ATOM 1067 CB ILE A 102 21.615 4.330 2.703 1.00 63.32 C ATOM 1068 CG1 ILE A 102 20.360 5.011 2.124 1.00 42.23 C ATOM 1069 CG2 ILE A 102 22.876 5.055 2.221 1.00 22.20 C ATOM 1070 CD1 ILE A 102 20.212 6.468 2.514 1.00 23.45 C ATOM 0 H ILE A 102 20.058 2.302 3.600 1.00 21.04 H new ATOM 0 HA ILE A 102 21.816 2.742 1.238 1.00 64.43 H new ATOM 0 HB ILE A 102 21.591 4.391 3.791 1.00 63.32 H new ATOM 0 HG12 ILE A 102 20.389 4.938 1.037 1.00 42.23 H new ATOM 0 HG13 ILE A 102 19.477 4.465 2.457 1.00 42.23 H new ATOM 0 HG21 ILE A 102 22.827 6.104 2.513 1.00 22.20 H new ATOM 0 HG22 ILE A 102 23.755 4.594 2.671 1.00 22.20 H new ATOM 0 HG23 ILE A 102 22.944 4.984 1.135 1.00 22.20 H new ATOM 0 HD11 ILE A 102 19.305 6.874 2.067 1.00 23.45 H new ATOM 0 HD12 ILE A 102 20.149 6.550 3.599 1.00 23.45 H new ATOM 0 HD13 ILE A 102 21.075 7.030 2.157 1.00 23.45 H new ATOM 1082 N ASP A 103 22.488 0.845 3.448 1.00 32.41 N ATOM 1083 CA ASP A 103 23.394 0.043 4.252 1.00 23.30 C ATOM 1084 C ASP A 103 22.757 -1.319 4.421 1.00 24.32 C ATOM 1085 O ASP A 103 21.591 -1.512 4.076 1.00 73.23 O ATOM 1086 CB ASP A 103 23.653 0.680 5.625 1.00 33.54 C ATOM 1087 CG ASP A 103 24.998 0.272 6.209 1.00 51.23 C ATOM 1088 OD1 ASP A 103 25.106 -0.841 6.763 1.00 42.14 O ATOM 1089 OD2 ASP A 103 25.958 1.065 6.103 1.00 35.10 O ATOM 0 H ASP A 103 21.617 0.369 3.215 1.00 32.41 H new ATOM 0 HA ASP A 103 24.360 -0.031 3.753 1.00 23.30 H new ATOM 0 HB2 ASP A 103 23.614 1.765 5.532 1.00 33.54 H new ATOM 0 HB3 ASP A 103 22.858 0.390 6.313 1.00 33.54 H new ATOM 1094 N VAL A 104 23.488 -2.259 4.960 1.00 72.20 N ATOM 1095 CA VAL A 104 23.020 -3.613 4.985 1.00 44.45 C ATOM 1096 C VAL A 104 21.960 -3.856 6.086 1.00 22.22 C ATOM 1097 O VAL A 104 22.231 -4.390 7.164 1.00 24.42 O ATOM 1098 CB VAL A 104 24.210 -4.582 5.060 1.00 63.25 C ATOM 1099 CG1 VAL A 104 24.870 -4.630 6.439 1.00 44.11 C ATOM 1100 CG2 VAL A 104 23.752 -5.926 4.586 1.00 15.54 C ATOM 0 H VAL A 104 24.404 -2.110 5.384 1.00 72.20 H new ATOM 0 HA VAL A 104 22.496 -3.811 4.050 1.00 44.45 H new ATOM 0 HB VAL A 104 25.002 -4.218 4.406 1.00 63.25 H new ATOM 0 HG11 VAL A 104 25.702 -5.334 6.420 1.00 44.11 H new ATOM 0 HG12 VAL A 104 25.239 -3.638 6.700 1.00 44.11 H new ATOM 0 HG13 VAL A 104 24.139 -4.952 7.181 1.00 44.11 H new ATOM 0 HG21 VAL A 104 24.583 -6.630 4.631 1.00 15.54 H new ATOM 0 HG22 VAL A 104 22.941 -6.280 5.223 1.00 15.54 H new ATOM 0 HG23 VAL A 104 23.398 -5.848 3.558 1.00 15.54 H new ATOM 1110 N SER A 105 20.738 -3.408 5.789 1.00 72.11 N ATOM 1111 CA SER A 105 19.580 -3.557 6.692 1.00 61.45 C ATOM 1112 C SER A 105 19.789 -2.833 8.033 1.00 32.10 C ATOM 1113 O SER A 105 19.052 -3.061 8.995 1.00 50.01 O ATOM 1114 CB SER A 105 19.270 -5.043 6.934 1.00 32.25 C ATOM 1115 OG SER A 105 19.019 -5.720 5.710 1.00 4.11 O ATOM 0 H SER A 105 20.517 -2.930 4.916 1.00 72.11 H new ATOM 0 HA SER A 105 18.729 -3.089 6.198 1.00 61.45 H new ATOM 0 HB2 SER A 105 20.108 -5.513 7.448 1.00 32.25 H new ATOM 0 HB3 SER A 105 18.403 -5.135 7.588 1.00 32.25 H new ATOM 0 HG SER A 105 18.826 -6.664 5.892 1.00 4.11 H new ATOM 1121 N TYR A 106 20.772 -1.937 8.081 1.00 14.13 N ATOM 1122 CA TYR A 106 21.119 -1.225 9.314 1.00 14.15 C ATOM 1123 C TYR A 106 20.109 -0.110 9.637 1.00 61.55 C ATOM 1124 O TYR A 106 20.188 0.998 9.100 1.00 63.52 O ATOM 1125 CB TYR A 106 22.550 -0.655 9.216 1.00 34.34 C ATOM 1126 CG TYR A 106 23.517 -1.276 10.207 1.00 23.54 C ATOM 1127 CD1 TYR A 106 24.147 -2.484 9.929 1.00 4.12 C ATOM 1128 CD2 TYR A 106 23.792 -0.659 11.423 1.00 63.23 C ATOM 1129 CE1 TYR A 106 25.020 -3.060 10.833 1.00 12.52 C ATOM 1130 CE2 TYR A 106 24.666 -1.228 12.330 1.00 63.15 C ATOM 1131 CZ TYR A 106 25.275 -2.427 12.031 1.00 5.11 C ATOM 1132 OH TYR A 106 26.139 -2.996 12.943 1.00 72.54 O ATOM 0 H TYR A 106 21.347 -1.684 7.277 1.00 14.13 H new ATOM 0 HA TYR A 106 21.079 -1.942 10.134 1.00 14.15 H new ATOM 0 HB2 TYR A 106 22.927 -0.812 8.205 1.00 34.34 H new ATOM 0 HB3 TYR A 106 22.516 0.422 9.380 1.00 34.34 H new ATOM 0 HD1 TYR A 106 23.951 -2.981 8.990 1.00 4.12 H new ATOM 0 HD2 TYR A 106 23.315 0.280 11.662 1.00 63.23 H new ATOM 0 HE1 TYR A 106 25.499 -4.000 10.602 1.00 12.52 H new ATOM 0 HE2 TYR A 106 24.871 -0.735 13.269 1.00 63.15 H new ATOM 0 HH TYR A 106 26.207 -2.420 13.733 1.00 72.54 H new ATOM 1142 N VAL A 107 19.147 -0.423 10.502 1.00 55.53 N ATOM 1143 CA VAL A 107 18.162 0.559 10.976 1.00 61.33 C ATOM 1144 C VAL A 107 18.161 0.638 12.511 1.00 34.13 C ATOM 1145 O VAL A 107 18.131 -0.387 13.195 1.00 5.41 O ATOM 1146 CB VAL A 107 16.730 0.226 10.468 1.00 63.14 C ATOM 1147 CG1 VAL A 107 16.651 0.363 8.947 1.00 32.02 C ATOM 1148 CG2 VAL A 107 16.301 -1.178 10.906 1.00 12.03 C ATOM 0 H VAL A 107 19.024 -1.356 10.895 1.00 55.53 H new ATOM 0 HA VAL A 107 18.454 1.527 10.569 1.00 61.33 H new ATOM 0 HB VAL A 107 16.041 0.943 10.915 1.00 63.14 H new ATOM 0 HG11 VAL A 107 15.641 0.126 8.612 1.00 32.02 H new ATOM 0 HG12 VAL A 107 16.897 1.385 8.660 1.00 32.02 H new ATOM 0 HG13 VAL A 107 17.358 -0.324 8.483 1.00 32.02 H new ATOM 0 HG21 VAL A 107 15.296 -1.383 10.537 1.00 12.03 H new ATOM 0 HG22 VAL A 107 16.995 -1.914 10.499 1.00 12.03 H new ATOM 0 HG23 VAL A 107 16.307 -1.237 11.994 1.00 12.03 H new ATOM 1158 N ASP A 108 18.210 1.859 13.044 1.00 41.30 N ATOM 1159 CA ASP A 108 18.273 2.079 14.496 1.00 42.31 C ATOM 1160 C ASP A 108 17.015 1.573 15.227 1.00 63.12 C ATOM 1161 O ASP A 108 17.109 0.945 16.281 1.00 24.45 O ATOM 1162 CB ASP A 108 18.474 3.571 14.787 1.00 34.10 C ATOM 1163 CG ASP A 108 19.741 4.123 14.157 1.00 44.31 C ATOM 1164 OD1 ASP A 108 19.743 4.362 12.932 1.00 15.31 O ATOM 1165 OD2 ASP A 108 20.737 4.333 14.886 1.00 31.34 O ATOM 0 H ASP A 108 18.207 2.717 12.492 1.00 41.30 H new ATOM 0 HA ASP A 108 19.119 1.504 14.872 1.00 42.31 H new ATOM 0 HB2 ASP A 108 17.615 4.129 14.415 1.00 34.10 H new ATOM 0 HB3 ASP A 108 18.512 3.725 15.865 1.00 34.10 H new ATOM 1170 N GLU A 109 15.851 1.867 14.649 1.00 71.45 N ATOM 1171 CA GLU A 109 14.533 1.555 15.250 1.00 61.41 C ATOM 1172 C GLU A 109 14.234 2.427 16.489 1.00 64.04 C ATOM 1173 O GLU A 109 13.163 3.026 16.589 1.00 72.24 O ATOM 1174 CB GLU A 109 14.403 0.060 15.606 1.00 60.34 C ATOM 1175 CG GLU A 109 14.492 -0.876 14.402 1.00 75.51 C ATOM 1176 CD GLU A 109 14.138 -2.318 14.749 1.00 20.12 C ATOM 1177 OE1 GLU A 109 15.028 -3.062 15.220 1.00 40.53 O ATOM 1178 OE2 GLU A 109 12.967 -2.713 14.551 1.00 21.21 O ATOM 0 H GLU A 109 15.784 2.332 13.744 1.00 71.45 H new ATOM 0 HA GLU A 109 13.790 1.791 14.488 1.00 61.41 H new ATOM 0 HB2 GLU A 109 15.187 -0.203 16.316 1.00 60.34 H new ATOM 0 HB3 GLU A 109 13.450 -0.101 16.109 1.00 60.34 H new ATOM 0 HG2 GLU A 109 13.821 -0.520 13.620 1.00 75.51 H new ATOM 0 HG3 GLU A 109 15.503 -0.842 13.995 1.00 75.51 H new ATOM 1185 N THR A 110 15.180 2.469 17.432 1.00 63.43 N ATOM 1186 CA THR A 110 15.104 3.318 18.641 1.00 71.45 C ATOM 1187 C THR A 110 13.806 3.113 19.453 1.00 14.52 C ATOM 1188 O THR A 110 13.733 2.214 20.293 1.00 74.14 O ATOM 1189 CB THR A 110 15.299 4.833 18.324 1.00 14.04 C ATOM 1190 OG1 THR A 110 14.226 5.342 17.509 1.00 60.20 O ATOM 1191 CG2 THR A 110 16.626 5.072 17.610 1.00 21.22 C ATOM 0 H THR A 110 16.032 1.911 17.384 1.00 63.43 H new ATOM 0 HA THR A 110 15.937 2.986 19.262 1.00 71.45 H new ATOM 0 HB THR A 110 15.299 5.362 19.277 1.00 14.04 H new ATOM 0 HG1 THR A 110 13.834 4.609 16.989 1.00 60.20 H new ATOM 0 HG21 THR A 110 16.740 6.135 17.399 1.00 21.22 H new ATOM 0 HG22 THR A 110 17.446 4.738 18.245 1.00 21.22 H new ATOM 0 HG23 THR A 110 16.641 4.513 16.674 1.00 21.22 H new ATOM 1199 N GLY A 111 12.787 3.930 19.195 1.00 20.04 N ATOM 1200 CA GLY A 111 11.561 3.878 19.983 1.00 71.33 C ATOM 1201 C GLY A 111 11.796 4.178 21.462 1.00 33.50 C ATOM 1202 O GLY A 111 12.143 5.304 21.830 1.00 54.44 O ATOM 0 H GLY A 111 12.786 4.630 18.453 1.00 20.04 H new ATOM 0 HA2 GLY A 111 10.845 4.595 19.581 1.00 71.33 H new ATOM 0 HA3 GLY A 111 11.112 2.890 19.884 1.00 71.33 H new ATOM 1206 N LYS A 112 11.604 3.169 22.302 1.00 14.32 N ATOM 1207 CA LYS A 112 11.871 3.277 23.741 1.00 75.54 C ATOM 1208 C LYS A 112 12.319 1.922 24.313 1.00 33.22 C ATOM 1209 O LYS A 112 13.268 1.840 25.098 1.00 30.51 O ATOM 1210 CB LYS A 112 10.615 3.758 24.485 1.00 72.31 C ATOM 1211 CG LYS A 112 10.837 3.999 25.979 1.00 11.32 C ATOM 1212 CD LYS A 112 9.519 4.126 26.743 1.00 35.52 C ATOM 1213 CE LYS A 112 8.620 5.216 26.175 1.00 33.10 C ATOM 1214 NZ LYS A 112 7.348 5.325 26.932 1.00 13.33 N ATOM 0 H LYS A 112 11.260 2.253 22.012 1.00 14.32 H new ATOM 0 HA LYS A 112 12.672 4.003 23.882 1.00 75.54 H new ATOM 0 HB2 LYS A 112 10.264 4.682 24.026 1.00 72.31 H new ATOM 0 HB3 LYS A 112 9.824 3.019 24.359 1.00 72.31 H new ATOM 0 HG2 LYS A 112 11.419 3.177 26.396 1.00 11.32 H new ATOM 0 HG3 LYS A 112 11.424 4.907 26.116 1.00 11.32 H new ATOM 0 HD2 LYS A 112 8.992 3.172 26.713 1.00 35.52 H new ATOM 0 HD3 LYS A 112 9.729 4.342 27.791 1.00 35.52 H new ATOM 0 HE2 LYS A 112 9.144 6.172 26.203 1.00 33.10 H new ATOM 0 HE3 LYS A 112 8.404 5.001 25.128 1.00 33.10 H new ATOM 0 HZ1 LYS A 112 6.761 6.077 26.518 1.00 13.33 H new ATOM 0 HZ2 LYS A 112 6.837 4.420 26.884 1.00 13.33 H new ATOM 0 HZ3 LYS A 112 7.554 5.554 27.925 1.00 13.33 H new ATOM 1228 N ASP A 113 11.631 0.862 23.892 1.00 64.20 N ATOM 1229 CA ASP A 113 11.847 -0.487 24.423 1.00 51.22 C ATOM 1230 C ASP A 113 13.135 -1.127 23.869 1.00 34.23 C ATOM 1231 O ASP A 113 13.123 -1.776 22.816 1.00 32.30 O ATOM 1232 CB ASP A 113 10.625 -1.358 24.092 1.00 15.11 C ATOM 1233 CG ASP A 113 10.651 -2.714 24.773 1.00 63.04 C ATOM 1234 OD1 ASP A 113 10.245 -2.800 25.950 1.00 3.34 O ATOM 1235 OD2 ASP A 113 11.055 -3.704 24.132 1.00 0.10 O ATOM 0 H ASP A 113 10.908 0.912 23.174 1.00 64.20 H new ATOM 0 HA ASP A 113 11.970 -0.416 25.504 1.00 51.22 H new ATOM 0 HB2 ASP A 113 9.719 -0.828 24.388 1.00 15.11 H new ATOM 0 HB3 ASP A 113 10.572 -1.502 23.013 1.00 15.11 H new ATOM 1240 N LEU A 114 14.252 -0.915 24.571 1.00 51.11 N ATOM 1241 CA LEU A 114 15.533 -1.551 24.227 1.00 14.53 C ATOM 1242 C LEU A 114 16.599 -1.348 25.318 1.00 1.03 C ATOM 1243 O LEU A 114 16.448 -0.512 26.213 1.00 35.05 O ATOM 1244 CB LEU A 114 16.056 -1.062 22.862 1.00 3.11 C ATOM 1245 CG LEU A 114 15.968 0.451 22.579 1.00 42.31 C ATOM 1246 CD1 LEU A 114 16.869 1.264 23.507 1.00 1.42 C ATOM 1247 CD2 LEU A 114 16.318 0.721 21.122 1.00 64.41 C ATOM 0 H LEU A 114 14.297 -0.304 25.387 1.00 51.11 H new ATOM 0 HA LEU A 114 15.337 -2.621 24.157 1.00 14.53 H new ATOM 0 HB2 LEU A 114 17.100 -1.363 22.772 1.00 3.11 H new ATOM 0 HB3 LEU A 114 15.504 -1.585 22.081 1.00 3.11 H new ATOM 0 HG LEU A 114 14.944 0.769 22.773 1.00 42.31 H new ATOM 0 HD11 LEU A 114 16.774 2.324 23.270 1.00 1.42 H new ATOM 0 HD12 LEU A 114 16.572 1.095 24.542 1.00 1.42 H new ATOM 0 HD13 LEU A 114 17.905 0.954 23.372 1.00 1.42 H new ATOM 0 HD21 LEU A 114 16.255 1.791 20.925 1.00 64.41 H new ATOM 0 HD22 LEU A 114 17.332 0.374 20.921 1.00 64.41 H new ATOM 0 HD23 LEU A 114 15.618 0.191 20.476 1.00 64.41 H new ATOM 1259 N LEU A 115 17.675 -2.130 25.232 1.00 55.05 N ATOM 1260 CA LEU A 115 18.809 -2.015 26.155 1.00 44.31 C ATOM 1261 C LEU A 115 20.127 -1.800 25.391 1.00 31.52 C ATOM 1262 O LEU A 115 20.639 -2.723 24.749 1.00 61.10 O ATOM 1263 CB LEU A 115 18.913 -3.268 27.035 1.00 52.41 C ATOM 1264 CG LEU A 115 17.798 -3.430 28.083 1.00 11.54 C ATOM 1265 CD1 LEU A 115 17.950 -4.747 28.841 1.00 22.45 C ATOM 1266 CD2 LEU A 115 17.798 -2.245 29.050 1.00 61.13 C ATOM 0 H LEU A 115 17.787 -2.857 24.526 1.00 55.05 H new ATOM 0 HA LEU A 115 18.635 -1.147 26.790 1.00 44.31 H new ATOM 0 HB2 LEU A 115 18.913 -4.146 26.389 1.00 52.41 H new ATOM 0 HB3 LEU A 115 19.873 -3.251 27.550 1.00 52.41 H new ATOM 0 HG LEU A 115 16.840 -3.451 27.563 1.00 11.54 H new ATOM 0 HD11 LEU A 115 17.150 -4.838 29.576 1.00 22.45 H new ATOM 0 HD12 LEU A 115 17.895 -5.579 28.139 1.00 22.45 H new ATOM 0 HD13 LEU A 115 18.914 -4.765 29.350 1.00 22.45 H new ATOM 0 HD21 LEU A 115 17.003 -2.375 29.785 1.00 61.13 H new ATOM 0 HD22 LEU A 115 18.760 -2.192 29.561 1.00 61.13 H new ATOM 0 HD23 LEU A 115 17.631 -1.322 28.495 1.00 61.13 H new ATOM 1278 N PRO A 116 20.676 -0.571 25.429 1.00 53.31 N ATOM 1279 CA PRO A 116 21.977 -0.252 24.808 1.00 71.30 C ATOM 1280 C PRO A 116 23.170 -0.867 25.570 1.00 22.20 C ATOM 1281 O PRO A 116 22.994 -1.724 26.438 1.00 55.51 O ATOM 1282 CB PRO A 116 22.036 1.292 24.869 1.00 13.03 C ATOM 1283 CG PRO A 116 20.652 1.733 25.239 1.00 42.50 C ATOM 1284 CD PRO A 116 20.075 0.616 26.056 1.00 33.42 C ATOM 0 HA PRO A 116 22.051 -0.658 23.799 1.00 71.30 H new ATOM 0 HB2 PRO A 116 22.765 1.628 25.607 1.00 13.03 H new ATOM 0 HB3 PRO A 116 22.338 1.711 23.909 1.00 13.03 H new ATOM 0 HG2 PRO A 116 20.676 2.662 25.808 1.00 42.50 H new ATOM 0 HG3 PRO A 116 20.050 1.919 24.350 1.00 42.50 H new ATOM 0 HD2 PRO A 116 20.344 0.701 27.109 1.00 33.42 H new ATOM 0 HD3 PRO A 116 18.986 0.596 26.006 1.00 33.42 H new ATOM 1292 N VAL A 117 24.385 -0.427 25.234 1.00 70.14 N ATOM 1293 CA VAL A 117 25.596 -0.891 25.922 1.00 42.02 C ATOM 1294 C VAL A 117 25.587 -0.493 27.411 1.00 22.02 C ATOM 1295 O VAL A 117 25.229 0.632 27.763 1.00 4.30 O ATOM 1296 CB VAL A 117 26.871 -0.323 25.242 1.00 23.43 C ATOM 1297 CG1 VAL A 117 28.134 -0.781 25.969 1.00 24.52 C ATOM 1298 CG2 VAL A 117 26.919 -0.731 23.767 1.00 54.31 C ATOM 0 H VAL A 117 24.558 0.249 24.490 1.00 70.14 H new ATOM 0 HA VAL A 117 25.607 -1.979 25.853 1.00 42.02 H new ATOM 0 HB VAL A 117 26.828 0.765 25.300 1.00 23.43 H new ATOM 0 HG11 VAL A 117 29.011 -0.368 25.470 1.00 24.52 H new ATOM 0 HG12 VAL A 117 28.106 -0.433 27.002 1.00 24.52 H new ATOM 0 HG13 VAL A 117 28.188 -1.870 25.955 1.00 24.52 H new ATOM 0 HG21 VAL A 117 27.819 -0.324 23.306 1.00 54.31 H new ATOM 0 HG22 VAL A 117 26.932 -1.818 23.690 1.00 54.31 H new ATOM 0 HG23 VAL A 117 26.040 -0.341 23.253 1.00 54.31 H new ATOM 1308 N VAL A 118 25.976 -1.430 28.281 1.00 52.44 N ATOM 1309 CA VAL A 118 26.013 -1.178 29.725 1.00 14.35 C ATOM 1310 C VAL A 118 27.177 -0.243 30.096 1.00 63.14 C ATOM 1311 O VAL A 118 28.349 -0.609 29.960 1.00 35.21 O ATOM 1312 CB VAL A 118 26.137 -2.497 30.532 1.00 73.22 C ATOM 1313 CG1 VAL A 118 26.117 -2.216 32.036 1.00 61.21 C ATOM 1314 CG2 VAL A 118 25.027 -3.475 30.143 1.00 14.15 C ATOM 0 H VAL A 118 26.269 -2.369 28.011 1.00 52.44 H new ATOM 0 HA VAL A 118 25.070 -0.696 29.985 1.00 14.35 H new ATOM 0 HB VAL A 118 27.094 -2.958 30.288 1.00 73.22 H new ATOM 0 HG11 VAL A 118 26.205 -3.155 32.583 1.00 61.21 H new ATOM 0 HG12 VAL A 118 26.952 -1.565 32.296 1.00 61.21 H new ATOM 0 HG13 VAL A 118 25.180 -1.728 32.302 1.00 61.21 H new ATOM 0 HG21 VAL A 118 25.132 -4.393 30.721 1.00 14.15 H new ATOM 0 HG22 VAL A 118 24.056 -3.025 30.351 1.00 14.15 H new ATOM 0 HG23 VAL A 118 25.100 -3.704 29.080 1.00 14.15 H new ATOM 1324 N GLU A 119 26.835 0.957 30.573 1.00 30.13 N ATOM 1325 CA GLU A 119 27.817 2.003 30.901 1.00 50.02 C ATOM 1326 C GLU A 119 28.602 2.471 29.667 1.00 2.51 C ATOM 1327 O GLU A 119 28.388 1.980 28.558 1.00 74.51 O ATOM 1328 CB GLU A 119 28.774 1.556 32.017 1.00 24.22 C ATOM 1329 CG GLU A 119 28.079 1.307 33.354 1.00 2.44 C ATOM 1330 CD GLU A 119 29.050 1.294 34.524 1.00 62.12 C ATOM 1331 OE1 GLU A 119 29.727 0.267 34.735 1.00 75.31 O ATOM 1332 OE2 GLU A 119 29.155 2.321 35.228 1.00 50.31 O ATOM 0 H GLU A 119 25.868 1.234 30.744 1.00 30.13 H new ATOM 0 HA GLU A 119 27.246 2.856 31.268 1.00 50.02 H new ATOM 0 HB2 GLU A 119 29.282 0.643 31.705 1.00 24.22 H new ATOM 0 HB3 GLU A 119 29.542 2.317 32.152 1.00 24.22 H new ATOM 0 HG2 GLU A 119 27.328 2.080 33.518 1.00 2.44 H new ATOM 0 HG3 GLU A 119 27.552 0.354 33.313 1.00 2.44 H new ATOM 1339 N ILE A 120 29.513 3.424 29.877 1.00 34.14 N ATOM 1340 CA ILE A 120 30.219 4.100 28.780 1.00 32.33 C ATOM 1341 C ILE A 120 29.243 4.909 27.910 1.00 74.31 C ATOM 1342 O ILE A 120 28.326 4.358 27.299 1.00 20.00 O ATOM 1343 CB ILE A 120 31.011 3.112 27.878 1.00 55.44 C ATOM 1344 CG1 ILE A 120 32.037 2.314 28.706 1.00 33.32 C ATOM 1345 CG2 ILE A 120 31.702 3.861 26.733 1.00 35.20 C ATOM 1346 CD1 ILE A 120 33.116 3.164 29.348 1.00 54.22 C ATOM 0 H ILE A 120 29.783 3.749 30.805 1.00 34.14 H new ATOM 0 HA ILE A 120 30.935 4.773 29.252 1.00 32.33 H new ATOM 0 HB ILE A 120 30.303 2.405 27.446 1.00 55.44 H new ATOM 0 HG12 ILE A 120 31.509 1.766 29.487 1.00 33.32 H new ATOM 0 HG13 ILE A 120 32.510 1.573 28.061 1.00 33.32 H new ATOM 0 HG21 ILE A 120 32.251 3.152 26.113 1.00 35.20 H new ATOM 0 HG22 ILE A 120 30.953 4.369 26.126 1.00 35.20 H new ATOM 0 HG23 ILE A 120 32.395 4.595 27.144 1.00 35.20 H new ATOM 0 HD11 ILE A 120 33.796 2.525 29.911 1.00 54.22 H new ATOM 0 HD12 ILE A 120 33.673 3.692 28.573 1.00 54.22 H new ATOM 0 HD13 ILE A 120 32.657 3.888 30.021 1.00 54.22 H new ATOM 1358 N ILE A 121 29.434 6.222 27.869 1.00 24.02 N ATOM 1359 CA ILE A 121 28.594 7.088 27.041 1.00 12.31 C ATOM 1360 C ILE A 121 29.041 7.056 25.568 1.00 4.45 C ATOM 1361 O ILE A 121 30.044 6.426 25.227 1.00 3.02 O ATOM 1362 CB ILE A 121 28.594 8.549 27.567 1.00 32.41 C ATOM 1363 CG1 ILE A 121 30.028 9.100 27.654 1.00 22.42 C ATOM 1364 CG2 ILE A 121 27.904 8.623 28.928 1.00 31.41 C ATOM 1365 CD1 ILE A 121 30.110 10.532 28.148 1.00 32.13 C ATOM 0 H ILE A 121 30.158 6.711 28.395 1.00 24.02 H new ATOM 0 HA ILE A 121 27.577 6.702 27.102 1.00 12.31 H new ATOM 0 HB ILE A 121 28.038 9.168 26.862 1.00 32.41 H new ATOM 0 HG12 ILE A 121 30.611 8.463 28.319 1.00 22.42 H new ATOM 0 HG13 ILE A 121 30.490 9.039 26.669 1.00 22.42 H new ATOM 0 HG21 ILE A 121 27.912 9.653 29.284 1.00 31.41 H new ATOM 0 HG22 ILE A 121 26.874 8.280 28.833 1.00 31.41 H new ATOM 0 HG23 ILE A 121 28.434 7.989 29.639 1.00 31.41 H new ATOM 0 HD11 ILE A 121 31.153 10.846 28.181 1.00 32.13 H new ATOM 0 HD12 ILE A 121 29.556 11.183 27.471 1.00 32.13 H new ATOM 0 HD13 ILE A 121 29.680 10.597 29.147 1.00 32.13 H new ATOM 1377 N ASN A 122 28.280 7.734 24.703 1.00 70.22 N ATOM 1378 CA ASN A 122 28.555 7.792 23.253 1.00 21.23 C ATOM 1379 C ASN A 122 28.235 6.455 22.555 1.00 60.54 C ATOM 1380 O ASN A 122 27.372 6.396 21.674 1.00 3.23 O ATOM 1381 CB ASN A 122 30.013 8.196 22.969 1.00 2.51 C ATOM 1382 CG ASN A 122 30.463 9.389 23.793 1.00 75.02 C ATOM 1383 OD1 ASN A 122 31.294 9.271 24.687 1.00 64.20 O ATOM 1384 ND2 ASN A 122 29.897 10.538 23.523 1.00 21.10 N ATOM 0 H ASN A 122 27.453 8.261 24.983 1.00 70.22 H new ATOM 0 HA ASN A 122 27.897 8.558 22.843 1.00 21.23 H new ATOM 0 HB2 ASN A 122 30.667 7.349 23.177 1.00 2.51 H new ATOM 0 HB3 ASN A 122 30.121 8.430 21.910 1.00 2.51 H new ATOM 0 HD21 ASN A 122 30.144 11.367 24.063 1.00 21.10 H new ATOM 0 HD22 ASN A 122 29.209 10.604 22.773 1.00 21.10 H new ATOM 1391 N SER A 123 28.938 5.392 22.954 1.00 53.22 N ATOM 1392 CA SER A 123 28.764 4.049 22.372 1.00 13.40 C ATOM 1393 C SER A 123 29.215 3.991 20.903 1.00 50.02 C ATOM 1394 O SER A 123 30.311 3.510 20.602 1.00 63.42 O ATOM 1395 CB SER A 123 27.308 3.570 22.501 1.00 74.02 C ATOM 1396 OG SER A 123 27.126 2.302 21.887 1.00 24.21 O ATOM 0 H SER A 123 29.644 5.433 23.689 1.00 53.22 H new ATOM 0 HA SER A 123 29.405 3.376 22.942 1.00 13.40 H new ATOM 0 HB2 SER A 123 27.035 3.509 23.554 1.00 74.02 H new ATOM 0 HB3 SER A 123 26.641 4.299 22.040 1.00 74.02 H new ATOM 0 HG SER A 123 26.192 2.022 21.986 1.00 24.21 H new ATOM 1402 N GLU A 124 28.385 4.502 19.993 1.00 3.12 N ATOM 1403 CA GLU A 124 28.670 4.427 18.553 1.00 30.41 C ATOM 1404 C GLU A 124 29.964 5.174 18.181 1.00 4.54 C ATOM 1405 O GLU A 124 30.092 6.381 18.402 1.00 3.40 O ATOM 1406 CB GLU A 124 27.483 4.959 17.733 1.00 61.13 C ATOM 1407 CG GLU A 124 27.063 6.389 18.068 1.00 75.01 C ATOM 1408 CD GLU A 124 25.948 6.889 17.163 1.00 75.34 C ATOM 1409 OE1 GLU A 124 26.255 7.405 16.065 1.00 2.31 O ATOM 1410 OE2 GLU A 124 24.763 6.757 17.539 1.00 42.53 O ATOM 0 H GLU A 124 27.510 4.973 20.224 1.00 3.12 H new ATOM 0 HA GLU A 124 28.820 3.375 18.309 1.00 30.41 H new ATOM 0 HB2 GLU A 124 27.739 4.909 16.675 1.00 61.13 H new ATOM 0 HB3 GLU A 124 26.629 4.299 17.886 1.00 61.13 H new ATOM 0 HG2 GLU A 124 26.734 6.435 19.106 1.00 75.01 H new ATOM 0 HG3 GLU A 124 27.925 7.049 17.977 1.00 75.01 H new ATOM 1417 N ALA A 125 30.938 4.421 17.653 1.00 25.40 N ATOM 1418 CA ALA A 125 32.232 4.973 17.210 1.00 72.41 C ATOM 1419 C ALA A 125 33.012 5.680 18.341 1.00 63.41 C ATOM 1420 O ALA A 125 34.066 6.272 18.094 1.00 45.33 O ATOM 1421 CB ALA A 125 32.025 5.923 16.030 1.00 71.34 C ATOM 0 H ALA A 125 30.855 3.413 17.520 1.00 25.40 H new ATOM 0 HA ALA A 125 32.842 4.126 16.897 1.00 72.41 H new ATOM 0 HB1 ALA A 125 32.988 6.324 15.712 1.00 71.34 H new ATOM 0 HB2 ALA A 125 31.567 5.381 15.203 1.00 71.34 H new ATOM 0 HB3 ALA A 125 31.373 6.742 16.333 1.00 71.34 H new ATOM 1427 N ALA A 126 32.504 5.597 19.576 1.00 71.24 N ATOM 1428 CA ALA A 126 33.118 6.271 20.731 1.00 43.02 C ATOM 1429 C ALA A 126 33.422 7.757 20.444 1.00 1.34 C ATOM 1430 O ALA A 126 34.577 8.190 20.482 1.00 31.34 O ATOM 1431 CB ALA A 126 34.381 5.529 21.168 1.00 63.50 C ATOM 0 H ALA A 126 31.663 5.066 19.804 1.00 71.24 H new ATOM 0 HA ALA A 126 32.396 6.248 21.547 1.00 43.02 H new ATOM 0 HB1 ALA A 126 34.825 6.039 22.023 1.00 63.50 H new ATOM 0 HB2 ALA A 126 34.124 4.507 21.448 1.00 63.50 H new ATOM 0 HB3 ALA A 126 35.096 5.511 20.345 1.00 63.50 H new ATOM 1437 N VAL A 127 32.383 8.532 20.148 1.00 10.14 N ATOM 1438 CA VAL A 127 32.546 9.961 19.854 1.00 1.53 C ATOM 1439 C VAL A 127 32.667 10.792 21.148 1.00 13.23 C ATOM 1440 O VAL A 127 31.695 11.397 21.612 1.00 5.35 O ATOM 1441 CB VAL A 127 31.366 10.499 18.997 1.00 32.23 C ATOM 1442 CG1 VAL A 127 31.625 11.935 18.544 1.00 70.01 C ATOM 1443 CG2 VAL A 127 31.100 9.585 17.799 1.00 65.11 C ATOM 0 H VAL A 127 31.419 8.200 20.104 1.00 10.14 H new ATOM 0 HA VAL A 127 33.470 10.064 19.285 1.00 1.53 H new ATOM 0 HB VAL A 127 30.473 10.503 19.622 1.00 32.23 H new ATOM 0 HG11 VAL A 127 30.783 12.285 17.946 1.00 70.01 H new ATOM 0 HG12 VAL A 127 31.742 12.577 19.417 1.00 70.01 H new ATOM 0 HG13 VAL A 127 32.535 11.969 17.944 1.00 70.01 H new ATOM 0 HG21 VAL A 127 30.270 9.983 17.215 1.00 65.11 H new ATOM 0 HG22 VAL A 127 31.992 9.535 17.174 1.00 65.11 H new ATOM 0 HG23 VAL A 127 30.848 8.585 18.153 1.00 65.11 H new ATOM 1453 N LEU A 128 33.863 10.803 21.738 1.00 42.03 N ATOM 1454 CA LEU A 128 34.101 11.528 22.994 1.00 62.50 C ATOM 1455 C LEU A 128 34.130 13.050 22.796 1.00 11.33 C ATOM 1456 O LEU A 128 35.124 13.610 22.329 1.00 62.04 O ATOM 1457 CB LEU A 128 35.415 11.080 23.662 1.00 1.13 C ATOM 1458 CG LEU A 128 35.369 9.740 24.420 1.00 12.54 C ATOM 1459 CD1 LEU A 128 35.175 8.567 23.465 1.00 42.25 C ATOM 1460 CD2 LEU A 128 36.631 9.555 25.257 1.00 34.02 C ATOM 0 H LEU A 128 34.683 10.320 21.370 1.00 42.03 H new ATOM 0 HA LEU A 128 33.261 11.283 23.645 1.00 62.50 H new ATOM 0 HB2 LEU A 128 36.185 11.013 22.893 1.00 1.13 H new ATOM 0 HB3 LEU A 128 35.728 11.858 24.359 1.00 1.13 H new ATOM 0 HG LEU A 128 34.510 9.764 25.091 1.00 12.54 H new ATOM 0 HD11 LEU A 128 35.147 7.637 24.032 1.00 42.25 H new ATOM 0 HD12 LEU A 128 34.237 8.690 22.923 1.00 42.25 H new ATOM 0 HD13 LEU A 128 36.002 8.535 22.756 1.00 42.25 H new ATOM 0 HD21 LEU A 128 36.581 8.603 25.785 1.00 34.02 H new ATOM 0 HD22 LEU A 128 37.504 9.562 24.605 1.00 34.02 H new ATOM 0 HD23 LEU A 128 36.711 10.367 25.980 1.00 34.02 H new ATOM 1472 N GLU A 129 33.030 13.710 23.143 1.00 74.41 N ATOM 1473 CA GLU A 129 32.992 15.175 23.206 1.00 35.14 C ATOM 1474 C GLU A 129 33.199 15.641 24.655 1.00 43.31 C ATOM 1475 O GLU A 129 32.296 15.534 25.491 1.00 55.13 O ATOM 1476 CB GLU A 129 31.662 15.712 22.656 1.00 43.41 C ATOM 1477 CG GLU A 129 31.469 15.453 21.167 1.00 63.40 C ATOM 1478 CD GLU A 129 30.144 15.985 20.644 1.00 40.22 C ATOM 1479 OE1 GLU A 129 30.050 17.205 20.379 1.00 12.12 O ATOM 1480 OE2 GLU A 129 29.195 15.185 20.498 1.00 61.12 O ATOM 0 H GLU A 129 32.149 13.257 23.386 1.00 74.41 H new ATOM 0 HA GLU A 129 33.797 15.570 22.587 1.00 35.14 H new ATOM 0 HB2 GLU A 129 30.840 15.254 23.206 1.00 43.41 H new ATOM 0 HB3 GLU A 129 31.609 16.785 22.839 1.00 43.41 H new ATOM 0 HG2 GLU A 129 32.286 15.916 20.613 1.00 63.40 H new ATOM 0 HG3 GLU A 129 31.525 14.381 20.979 1.00 63.40 H new ATOM 1487 N HIS A 130 34.398 16.136 24.951 1.00 2.22 N ATOM 1488 CA HIS A 130 34.761 16.529 26.313 1.00 31.23 C ATOM 1489 C HIS A 130 34.564 18.037 26.535 1.00 4.05 C ATOM 1490 O HIS A 130 35.193 18.861 25.869 1.00 62.00 O ATOM 1491 CB HIS A 130 36.214 16.126 26.596 1.00 41.12 C ATOM 1492 CG HIS A 130 36.640 16.362 28.013 1.00 51.12 C ATOM 1493 ND1 HIS A 130 37.595 17.289 28.369 1.00 72.33 N ATOM 1494 CD2 HIS A 130 36.232 15.786 29.170 1.00 74.52 C ATOM 1495 CE1 HIS A 130 37.757 17.274 29.676 1.00 64.15 C ATOM 1496 NE2 HIS A 130 36.944 16.375 30.183 1.00 34.45 N ATOM 0 H HIS A 130 35.139 16.276 24.264 1.00 2.22 H new ATOM 0 HA HIS A 130 34.102 16.009 27.008 1.00 31.23 H new ATOM 0 HB2 HIS A 130 36.341 15.070 26.359 1.00 41.12 H new ATOM 0 HB3 HIS A 130 36.873 16.684 25.930 1.00 41.12 H new ATOM 0 HD2 HIS A 130 35.488 15.011 29.274 1.00 74.52 H new ATOM 0 HE1 HIS A 130 38.441 17.895 30.235 1.00 64.15 H new ATOM 0 HE2 HIS A 130 36.856 16.151 31.174 1.00 34.45 H new ATOM 1505 N HIS A 131 33.688 18.389 27.475 1.00 53.14 N ATOM 1506 CA HIS A 131 33.377 19.797 27.755 1.00 60.13 C ATOM 1507 C HIS A 131 34.469 20.476 28.608 1.00 30.24 C ATOM 1508 O HIS A 131 35.148 19.826 29.404 1.00 2.13 O ATOM 1509 CB HIS A 131 32.013 19.914 28.456 1.00 43.22 C ATOM 1510 CG HIS A 131 31.921 19.171 29.758 1.00 72.34 C ATOM 1511 ND1 HIS A 131 31.305 17.944 29.884 1.00 4.30 N ATOM 1512 CD2 HIS A 131 32.360 19.490 31.003 1.00 61.32 C ATOM 1513 CE1 HIS A 131 31.368 17.544 31.138 1.00 22.22 C ATOM 1514 NE2 HIS A 131 32.004 18.460 31.839 1.00 43.22 N ATOM 0 H HIS A 131 33.180 17.723 28.057 1.00 53.14 H new ATOM 0 HA HIS A 131 33.339 20.315 26.797 1.00 60.13 H new ATOM 0 HB2 HIS A 131 31.800 20.968 28.637 1.00 43.22 H new ATOM 0 HB3 HIS A 131 31.239 19.543 27.784 1.00 43.22 H new ATOM 0 HD2 HIS A 131 32.891 20.388 31.284 1.00 61.32 H new ATOM 0 HE1 HIS A 131 30.966 16.620 31.526 1.00 22.22 H new ATOM 0 HE2 HIS A 131 32.200 18.412 32.839 1.00 43.22 H new ATOM 1523 N HIS A 132 34.625 21.786 28.431 1.00 70.22 N ATOM 1524 CA HIS A 132 35.572 22.584 29.223 1.00 73.44 C ATOM 1525 C HIS A 132 34.829 23.654 30.044 1.00 23.31 C ATOM 1526 O HIS A 132 33.609 23.592 30.199 1.00 51.22 O ATOM 1527 CB HIS A 132 36.593 23.252 28.292 1.00 40.03 C ATOM 1528 CG HIS A 132 37.392 22.281 27.481 1.00 13.51 C ATOM 1529 ND1 HIS A 132 37.046 21.910 26.202 1.00 42.41 N ATOM 1530 CD2 HIS A 132 38.532 21.610 27.767 1.00 1.21 C ATOM 1531 CE1 HIS A 132 37.933 21.056 25.737 1.00 42.45 C ATOM 1532 NE2 HIS A 132 38.848 20.856 26.662 1.00 3.41 N ATOM 0 H HIS A 132 34.104 22.326 27.740 1.00 70.22 H new ATOM 0 HA HIS A 132 36.093 21.921 29.914 1.00 73.44 H new ATOM 0 HB2 HIS A 132 36.068 23.930 27.618 1.00 40.03 H new ATOM 0 HB3 HIS A 132 37.273 23.859 28.889 1.00 40.03 H new ATOM 0 HD2 HIS A 132 39.089 21.658 28.691 1.00 1.21 H new ATOM 0 HE1 HIS A 132 37.913 20.596 24.760 1.00 42.45 H new ATOM 0 HE2 HIS A 132 39.658 20.243 26.573 1.00 3.41 H new ATOM 1541 N HIS A 133 35.566 24.622 30.580 1.00 51.44 N ATOM 1542 CA HIS A 133 34.956 25.747 31.301 1.00 51.41 C ATOM 1543 C HIS A 133 35.787 27.032 31.152 1.00 21.34 C ATOM 1544 O HIS A 133 37.011 27.018 31.306 1.00 1.12 O ATOM 1545 CB HIS A 133 34.761 25.400 32.787 1.00 44.42 C ATOM 1546 CG HIS A 133 36.001 24.911 33.479 1.00 51.33 C ATOM 1547 ND1 HIS A 133 36.243 23.579 33.737 1.00 62.42 N ATOM 1548 CD2 HIS A 133 37.061 25.584 33.992 1.00 55.41 C ATOM 1549 CE1 HIS A 133 37.390 23.455 34.374 1.00 71.12 C ATOM 1550 NE2 HIS A 133 37.907 24.654 34.544 1.00 4.53 N ATOM 0 H HIS A 133 36.584 24.655 30.532 1.00 51.44 H new ATOM 0 HA HIS A 133 33.978 25.931 30.855 1.00 51.41 H new ATOM 0 HB2 HIS A 133 34.393 26.284 33.308 1.00 44.42 H new ATOM 0 HB3 HIS A 133 33.988 24.636 32.871 1.00 44.42 H new ATOM 0 HD2 HIS A 133 37.212 26.653 33.970 1.00 55.41 H new ATOM 0 HE1 HIS A 133 37.832 22.526 34.702 1.00 71.12 H new ATOM 0 HE2 HIS A 133 38.791 24.858 35.010 1.00 4.53 H new ATOM 1559 N HIS A 134 35.116 28.144 30.856 1.00 44.32 N ATOM 1560 CA HIS A 134 35.782 29.445 30.704 1.00 34.21 C ATOM 1561 C HIS A 134 35.107 30.520 31.574 1.00 73.20 C ATOM 1562 O HIS A 134 33.990 30.962 31.294 1.00 42.22 O ATOM 1563 CB HIS A 134 35.808 29.874 29.226 1.00 4.53 C ATOM 1564 CG HIS A 134 34.472 29.807 28.547 1.00 2.34 C ATOM 1565 ND1 HIS A 134 34.029 28.691 27.875 1.00 64.11 N ATOM 1566 CD2 HIS A 134 33.481 30.722 28.438 1.00 54.44 C ATOM 1567 CE1 HIS A 134 32.831 28.919 27.382 1.00 52.13 C ATOM 1568 NE2 HIS A 134 32.474 30.142 27.709 1.00 1.24 N ATOM 0 H HIS A 134 34.106 28.174 30.715 1.00 44.32 H new ATOM 0 HA HIS A 134 36.811 29.337 31.047 1.00 34.21 H new ATOM 0 HB2 HIS A 134 36.186 30.894 29.161 1.00 4.53 H new ATOM 0 HB3 HIS A 134 36.510 29.239 28.686 1.00 4.53 H new ATOM 0 HD2 HIS A 134 33.483 31.721 28.848 1.00 54.44 H new ATOM 0 HE1 HIS A 134 32.241 28.221 26.807 1.00 52.13 H new ATOM 0 HE2 HIS A 134 31.591 30.587 27.461 1.00 1.24 H new ATOM 1577 N HIS A 135 35.790 30.925 32.638 1.00 4.12 N ATOM 1578 CA HIS A 135 35.266 31.936 33.562 1.00 33.14 C ATOM 1579 C HIS A 135 35.603 33.369 33.089 1.00 51.51 C ATOM 1580 O HIS A 135 36.757 33.818 33.287 1.00 38.33 O ATOM 1581 CB HIS A 135 35.822 31.685 34.969 1.00 25.04 C ATOM 1582 CG HIS A 135 35.243 32.586 36.018 1.00 22.13 C ATOM 1583 ND1 HIS A 135 35.969 33.569 36.653 1.00 72.25 N ATOM 1584 CD2 HIS A 135 34.002 32.637 36.555 1.00 70.14 C ATOM 1585 CE1 HIS A 135 35.205 34.183 37.528 1.00 24.22 C ATOM 1586 NE2 HIS A 135 34.007 33.641 37.491 1.00 3.15 N ATOM 1587 OXT HIS A 135 34.708 34.042 32.533 1.00 38.33 O ATOM 0 H HIS A 135 36.713 30.569 32.887 1.00 4.12 H new ATOM 0 HA HIS A 135 34.180 31.851 33.583 1.00 33.14 H new ATOM 0 HB2 HIS A 135 35.629 30.649 35.246 1.00 25.04 H new ATOM 0 HB3 HIS A 135 36.904 31.813 34.950 1.00 25.04 H new ATOM 0 HD2 HIS A 135 33.165 32.006 36.296 1.00 70.14 H new ATOM 0 HE1 HIS A 135 35.510 34.996 38.170 1.00 24.22 H new ATOM 0 HE2 HIS A 135 33.211 33.921 38.064 1.00 3.15 H new TER 1596 HIS A 135