USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 840 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 90 TYR OH : rot 40:sc= 0.115 USER MOD Set 1.2: A 108 GLN : amide:sc= -0.853 K(o=-0.74,f=1.5) USER MOD Set 2.1: A 80 THR OG1 : rot -78:sc= 0.784 USER MOD Set 2.2: A 85 THR OG1 : rot 180:sc= 0.694 USER MOD Set 3.1: A 21 ASN : amide:sc= -0.463 K(o=-0.46,f=0.27) USER MOD Set 3.2: A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -0.109 X(o=-0.11,f=-0.18) USER MOD Single : A 17 GLN : amide:sc= -1.91! K(o=-1.9!,f=-1.3) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.418 X(o=-0.42,f=0) USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot -160:sc= -1.62! USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 46 HIS : no HE2:sc= 0.137 K(o=0.14,f=-1.9) USER MOD Single : A 51 GLN : amide:sc= 0.531 K(o=0.53,f=0) USER MOD Single : A 52 LYS NZ :NH3+ -151:sc= -1.94 (180deg=-3.47!) USER MOD Single : A 53 GLN : amide:sc= -0.0253 X(o=-0.025,f=-0.073) USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ -142:sc= 1.23 (180deg=0.313) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.02 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -4.46 X(o=-4.5,f=-4.3!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 5:sc= 0.567 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 42:sc= 0.195 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 ASN : amide:sc= 0.0139 K(o=0.014,f=-1) USER MOD ----------------------------------------------------------------- ATOM 37 N ASP A 3 9.010 -13.845 -5.188 1.00 30.35 N ATOM 38 CA ASP A 3 9.101 -12.464 -5.693 1.00 1.23 C ATOM 39 C ASP A 3 8.347 -11.514 -4.753 1.00 73.22 C ATOM 40 O ASP A 3 7.430 -10.795 -5.162 1.00 11.12 O ATOM 41 CB ASP A 3 8.515 -12.412 -7.134 1.00 52.21 C ATOM 42 CG ASP A 3 9.142 -13.447 -8.082 1.00 23.22 C ATOM 43 OD1 ASP A 3 8.876 -14.660 -7.914 1.00 31.01 O ATOM 44 OD2 ASP A 3 9.896 -13.066 -8.997 1.00 61.54 O ATOM 0 HA ASP A 3 10.143 -12.145 -5.726 1.00 1.23 H new ATOM 0 HB2 ASP A 3 7.439 -12.577 -7.087 1.00 52.21 H new ATOM 0 HB3 ASP A 3 8.667 -11.414 -7.545 1.00 52.21 H new ATOM 49 N ILE A 4 8.768 -11.525 -3.482 1.00 4.11 N ATOM 50 CA ILE A 4 8.118 -10.783 -2.393 1.00 72.21 C ATOM 51 C ILE A 4 8.368 -9.267 -2.546 1.00 43.40 C ATOM 52 O ILE A 4 7.506 -8.462 -2.210 1.00 22.53 O ATOM 53 CB ILE A 4 8.639 -11.289 -0.992 1.00 72.21 C ATOM 54 CG1 ILE A 4 8.427 -12.833 -0.829 1.00 31.11 C ATOM 55 CG2 ILE A 4 7.980 -10.521 0.178 1.00 32.34 C ATOM 56 CD1 ILE A 4 6.980 -13.300 -0.857 1.00 50.12 C ATOM 0 H ILE A 4 9.582 -12.058 -3.176 1.00 4.11 H new ATOM 0 HA ILE A 4 7.044 -10.962 -2.448 1.00 72.21 H new ATOM 0 HB ILE A 4 9.710 -11.087 -0.959 1.00 72.21 H new ATOM 0 HG12 ILE A 4 8.971 -13.343 -1.624 1.00 31.11 H new ATOM 0 HG13 ILE A 4 8.874 -13.146 0.115 1.00 31.11 H new ATOM 0 HG21 ILE A 4 8.366 -10.899 1.125 1.00 32.34 H new ATOM 0 HG22 ILE A 4 8.210 -9.459 0.091 1.00 32.34 H new ATOM 0 HG23 ILE A 4 6.900 -10.663 0.144 1.00 32.34 H new ATOM 0 HD11 ILE A 4 6.945 -14.383 -0.736 1.00 50.12 H new ATOM 0 HD12 ILE A 4 6.429 -12.826 -0.045 1.00 50.12 H new ATOM 0 HD13 ILE A 4 6.528 -13.026 -1.810 1.00 50.12 H new ATOM 68 N VAL A 5 9.553 -8.905 -3.085 1.00 4.15 N ATOM 69 CA VAL A 5 9.949 -7.496 -3.316 1.00 64.31 C ATOM 70 C VAL A 5 9.058 -6.869 -4.411 1.00 42.32 C ATOM 71 O VAL A 5 8.519 -5.769 -4.247 1.00 64.11 O ATOM 72 CB VAL A 5 11.470 -7.396 -3.736 1.00 32.34 C ATOM 73 CG1 VAL A 5 11.963 -5.932 -3.801 1.00 61.42 C ATOM 74 CG2 VAL A 5 12.364 -8.235 -2.794 1.00 21.25 C ATOM 0 H VAL A 5 10.262 -9.580 -3.372 1.00 4.15 H new ATOM 0 HA VAL A 5 9.815 -6.947 -2.384 1.00 64.31 H new ATOM 0 HB VAL A 5 11.548 -7.808 -4.742 1.00 32.34 H new ATOM 0 HG11 VAL A 5 13.013 -5.914 -4.093 1.00 61.42 H new ATOM 0 HG12 VAL A 5 11.373 -5.382 -4.534 1.00 61.42 H new ATOM 0 HG13 VAL A 5 11.851 -5.467 -2.822 1.00 61.42 H new ATOM 0 HG21 VAL A 5 13.405 -8.148 -3.107 1.00 21.25 H new ATOM 0 HG22 VAL A 5 12.260 -7.869 -1.772 1.00 21.25 H new ATOM 0 HG23 VAL A 5 12.059 -9.280 -2.838 1.00 21.25 H new ATOM 84 N GLU A 6 8.891 -7.627 -5.511 1.00 60.24 N ATOM 85 CA GLU A 6 8.083 -7.219 -6.675 1.00 0.13 C ATOM 86 C GLU A 6 6.608 -7.085 -6.247 1.00 72.55 C ATOM 87 O GLU A 6 5.945 -6.085 -6.543 1.00 1.45 O ATOM 88 CB GLU A 6 8.244 -8.265 -7.838 1.00 65.42 C ATOM 89 CG GLU A 6 8.173 -7.680 -9.272 1.00 12.25 C ATOM 90 CD GLU A 6 6.845 -6.977 -9.616 1.00 55.54 C ATOM 91 OE1 GLU A 6 5.824 -7.665 -9.803 1.00 41.40 O ATOM 92 OE2 GLU A 6 6.819 -5.734 -9.721 1.00 14.32 O ATOM 0 H GLU A 6 9.317 -8.548 -5.617 1.00 60.24 H new ATOM 0 HA GLU A 6 8.429 -6.254 -7.045 1.00 0.13 H new ATOM 0 HB2 GLU A 6 9.201 -8.772 -7.718 1.00 65.42 H new ATOM 0 HB3 GLU A 6 7.467 -9.022 -7.734 1.00 65.42 H new ATOM 0 HG2 GLU A 6 8.989 -6.969 -9.400 1.00 12.25 H new ATOM 0 HG3 GLU A 6 8.338 -8.486 -9.987 1.00 12.25 H new ATOM 99 N ALA A 7 6.135 -8.104 -5.511 1.00 22.31 N ATOM 100 CA ALA A 7 4.753 -8.184 -5.031 1.00 4.02 C ATOM 101 C ALA A 7 4.445 -7.081 -4.011 1.00 12.25 C ATOM 102 O ALA A 7 3.340 -6.570 -3.990 1.00 74.13 O ATOM 103 CB ALA A 7 4.484 -9.570 -4.433 1.00 23.33 C ATOM 0 H ALA A 7 6.709 -8.900 -5.232 1.00 22.31 H new ATOM 0 HA ALA A 7 4.090 -8.032 -5.882 1.00 4.02 H new ATOM 0 HB1 ALA A 7 3.454 -9.620 -4.079 1.00 23.33 H new ATOM 0 HB2 ALA A 7 4.643 -10.332 -5.196 1.00 23.33 H new ATOM 0 HB3 ALA A 7 5.163 -9.744 -3.599 1.00 23.33 H new ATOM 109 N ALA A 8 5.435 -6.715 -3.183 1.00 15.33 N ATOM 110 CA ALA A 8 5.272 -5.686 -2.141 1.00 43.34 C ATOM 111 C ALA A 8 5.130 -4.294 -2.755 1.00 64.43 C ATOM 112 O ALA A 8 4.395 -3.454 -2.228 1.00 0.42 O ATOM 113 CB ALA A 8 6.448 -5.716 -1.172 1.00 63.15 C ATOM 0 H ALA A 8 6.370 -7.122 -3.215 1.00 15.33 H new ATOM 0 HA ALA A 8 4.357 -5.910 -1.592 1.00 43.34 H new ATOM 0 HB1 ALA A 8 6.311 -4.949 -0.409 1.00 63.15 H new ATOM 0 HB2 ALA A 8 6.503 -6.695 -0.696 1.00 63.15 H new ATOM 0 HB3 ALA A 8 7.373 -5.525 -1.716 1.00 63.15 H new ATOM 119 N LYS A 9 5.868 -4.059 -3.857 1.00 23.43 N ATOM 120 CA LYS A 9 5.769 -2.819 -4.633 1.00 41.21 C ATOM 121 C LYS A 9 4.340 -2.659 -5.166 1.00 32.13 C ATOM 122 O LYS A 9 3.681 -1.647 -4.914 1.00 54.11 O ATOM 123 CB LYS A 9 6.763 -2.826 -5.823 1.00 52.45 C ATOM 124 CG LYS A 9 6.660 -1.577 -6.730 1.00 4.10 C ATOM 125 CD LYS A 9 7.453 -1.710 -8.046 1.00 33.12 C ATOM 126 CE LYS A 9 7.256 -0.490 -8.969 1.00 2.44 C ATOM 127 NZ LYS A 9 7.931 -0.658 -10.285 1.00 12.24 N ATOM 0 H LYS A 9 6.546 -4.724 -4.229 1.00 23.43 H new ATOM 0 HA LYS A 9 6.019 -1.985 -3.978 1.00 41.21 H new ATOM 0 HB2 LYS A 9 7.779 -2.899 -5.435 1.00 52.45 H new ATOM 0 HB3 LYS A 9 6.587 -3.717 -6.426 1.00 52.45 H new ATOM 0 HG2 LYS A 9 5.611 -1.392 -6.963 1.00 4.10 H new ATOM 0 HG3 LYS A 9 7.023 -0.708 -6.182 1.00 4.10 H new ATOM 0 HD2 LYS A 9 8.513 -1.825 -7.820 1.00 33.12 H new ATOM 0 HD3 LYS A 9 7.139 -2.614 -8.568 1.00 33.12 H new ATOM 0 HE2 LYS A 9 6.190 -0.327 -9.129 1.00 2.44 H new ATOM 0 HE3 LYS A 9 7.644 0.401 -8.476 1.00 2.44 H new ATOM 0 HZ1 LYS A 9 7.769 0.188 -10.869 1.00 12.24 H new ATOM 0 HZ2 LYS A 9 8.952 -0.787 -10.137 1.00 12.24 H new ATOM 0 HZ3 LYS A 9 7.544 -1.493 -10.770 1.00 12.24 H new ATOM 141 N GLN A 10 3.885 -3.696 -5.892 1.00 70.43 N ATOM 142 CA GLN A 10 2.550 -3.738 -6.501 1.00 14.31 C ATOM 143 C GLN A 10 1.455 -3.622 -5.439 1.00 61.32 C ATOM 144 O GLN A 10 0.433 -2.986 -5.675 1.00 4.53 O ATOM 145 CB GLN A 10 2.386 -5.045 -7.324 1.00 3.22 C ATOM 146 CG GLN A 10 3.338 -5.143 -8.532 1.00 65.20 C ATOM 147 CD GLN A 10 3.132 -4.001 -9.533 1.00 12.42 C ATOM 148 OE1 GLN A 10 3.759 -2.940 -9.439 1.00 15.33 O ATOM 149 NE2 GLN A 10 2.250 -4.208 -10.498 1.00 43.41 N ATOM 0 H GLN A 10 4.440 -4.533 -6.072 1.00 70.43 H new ATOM 0 HA GLN A 10 2.448 -2.885 -7.172 1.00 14.31 H new ATOM 0 HB2 GLN A 10 2.556 -5.899 -6.669 1.00 3.22 H new ATOM 0 HB3 GLN A 10 1.357 -5.114 -7.677 1.00 3.22 H new ATOM 0 HG2 GLN A 10 4.370 -5.132 -8.180 1.00 65.20 H new ATOM 0 HG3 GLN A 10 3.183 -6.097 -9.036 1.00 65.20 H new ATOM 0 HE21 GLN A 10 1.748 -5.095 -10.549 1.00 43.41 H new ATOM 0 HE22 GLN A 10 2.072 -3.481 -11.191 1.00 43.41 H new ATOM 158 N ALA A 11 1.714 -4.226 -4.266 1.00 5.34 N ATOM 159 CA ALA A 11 0.801 -4.213 -3.122 1.00 74.30 C ATOM 160 C ALA A 11 0.633 -2.793 -2.581 1.00 74.41 C ATOM 161 O ALA A 11 -0.491 -2.326 -2.400 1.00 31.22 O ATOM 162 CB ALA A 11 1.307 -5.156 -2.017 1.00 61.01 C ATOM 0 H ALA A 11 2.576 -4.742 -4.089 1.00 5.34 H new ATOM 0 HA ALA A 11 -0.173 -4.568 -3.458 1.00 74.30 H new ATOM 0 HB1 ALA A 11 0.616 -5.133 -1.175 1.00 61.01 H new ATOM 0 HB2 ALA A 11 1.371 -6.172 -2.407 1.00 61.01 H new ATOM 0 HB3 ALA A 11 2.294 -4.832 -1.686 1.00 61.01 H new ATOM 168 N ALA A 12 1.774 -2.113 -2.365 1.00 62.14 N ATOM 169 CA ALA A 12 1.809 -0.764 -1.791 1.00 3.03 C ATOM 170 C ALA A 12 1.047 0.227 -2.679 1.00 3.02 C ATOM 171 O ALA A 12 0.136 0.906 -2.207 1.00 73.11 O ATOM 172 CB ALA A 12 3.262 -0.314 -1.584 1.00 41.45 C ATOM 0 H ALA A 12 2.697 -2.488 -2.585 1.00 62.14 H new ATOM 0 HA ALA A 12 1.314 -0.787 -0.820 1.00 3.03 H new ATOM 0 HB1 ALA A 12 3.275 0.689 -1.157 1.00 41.45 H new ATOM 0 HB2 ALA A 12 3.763 -1.004 -0.905 1.00 41.45 H new ATOM 0 HB3 ALA A 12 3.781 -0.307 -2.543 1.00 41.45 H new ATOM 178 N ILE A 13 1.408 0.249 -3.979 1.00 31.43 N ATOM 179 CA ILE A 13 0.810 1.160 -4.974 1.00 4.31 C ATOM 180 C ILE A 13 -0.703 0.880 -5.117 1.00 44.31 C ATOM 181 O ILE A 13 -1.497 1.818 -5.204 1.00 33.31 O ATOM 182 CB ILE A 13 1.527 1.030 -6.383 1.00 23.20 C ATOM 183 CG1 ILE A 13 3.075 1.233 -6.240 1.00 33.55 C ATOM 184 CG2 ILE A 13 0.937 2.030 -7.418 1.00 2.22 C ATOM 185 CD1 ILE A 13 3.877 0.995 -7.517 1.00 43.12 C ATOM 0 H ILE A 13 2.123 -0.366 -4.367 1.00 31.43 H new ATOM 0 HA ILE A 13 0.951 2.181 -4.619 1.00 4.31 H new ATOM 0 HB ILE A 13 1.343 0.022 -6.754 1.00 23.20 H new ATOM 0 HG12 ILE A 13 3.263 2.250 -5.895 1.00 33.55 H new ATOM 0 HG13 ILE A 13 3.445 0.560 -5.466 1.00 33.55 H new ATOM 0 HG21 ILE A 13 1.452 1.913 -8.372 1.00 2.22 H new ATOM 0 HG22 ILE A 13 -0.126 1.829 -7.553 1.00 2.22 H new ATOM 0 HG23 ILE A 13 1.071 3.049 -7.056 1.00 2.22 H new ATOM 0 HD11 ILE A 13 4.936 1.160 -7.318 1.00 43.12 H new ATOM 0 HD12 ILE A 13 3.727 -0.030 -7.855 1.00 43.12 H new ATOM 0 HD13 ILE A 13 3.542 1.685 -8.291 1.00 43.12 H new ATOM 197 N ALA A 14 -1.080 -0.421 -5.099 1.00 54.33 N ATOM 198 CA ALA A 14 -2.486 -0.869 -5.228 1.00 43.10 C ATOM 199 C ALA A 14 -3.351 -0.410 -4.044 1.00 51.14 C ATOM 200 O ALA A 14 -4.545 -0.145 -4.211 1.00 31.14 O ATOM 201 CB ALA A 14 -2.549 -2.391 -5.371 1.00 52.03 C ATOM 0 H ALA A 14 -0.417 -1.189 -4.995 1.00 54.33 H new ATOM 0 HA ALA A 14 -2.892 -0.406 -6.127 1.00 43.10 H new ATOM 0 HB1 ALA A 14 -3.589 -2.705 -5.465 1.00 52.03 H new ATOM 0 HB2 ALA A 14 -1.996 -2.696 -6.260 1.00 52.03 H new ATOM 0 HB3 ALA A 14 -2.107 -2.858 -4.491 1.00 52.03 H new ATOM 207 N ILE A 15 -2.736 -0.337 -2.850 1.00 22.21 N ATOM 208 CA ILE A 15 -3.378 0.208 -1.641 1.00 64.45 C ATOM 209 C ILE A 15 -3.732 1.699 -1.860 1.00 50.22 C ATOM 210 O ILE A 15 -4.848 2.121 -1.551 1.00 3.20 O ATOM 211 CB ILE A 15 -2.454 -0.021 -0.369 1.00 63.13 C ATOM 212 CG1 ILE A 15 -2.419 -1.549 -0.002 1.00 13.15 C ATOM 213 CG2 ILE A 15 -2.873 0.841 0.848 1.00 64.03 C ATOM 214 CD1 ILE A 15 -1.482 -1.937 1.140 1.00 24.24 C ATOM 0 H ILE A 15 -1.779 -0.655 -2.696 1.00 22.21 H new ATOM 0 HA ILE A 15 -4.311 -0.323 -1.450 1.00 64.45 H new ATOM 0 HB ILE A 15 -1.449 0.308 -0.634 1.00 63.13 H new ATOM 0 HG12 ILE A 15 -3.429 -1.864 0.259 1.00 13.15 H new ATOM 0 HG13 ILE A 15 -2.130 -2.110 -0.891 1.00 13.15 H new ATOM 0 HG21 ILE A 15 -2.204 0.639 1.684 1.00 64.03 H new ATOM 0 HG22 ILE A 15 -2.815 1.897 0.583 1.00 64.03 H new ATOM 0 HG23 ILE A 15 -3.896 0.594 1.134 1.00 64.03 H new ATOM 0 HD11 ILE A 15 -1.538 -3.013 1.307 1.00 24.24 H new ATOM 0 HD12 ILE A 15 -0.459 -1.663 0.881 1.00 24.24 H new ATOM 0 HD13 ILE A 15 -1.779 -1.413 2.048 1.00 24.24 H new ATOM 226 N PHE A 16 -2.796 2.469 -2.460 1.00 14.03 N ATOM 227 CA PHE A 16 -3.031 3.892 -2.817 1.00 45.42 C ATOM 228 C PHE A 16 -4.076 4.022 -3.952 1.00 13.24 C ATOM 229 O PHE A 16 -4.802 5.022 -4.022 1.00 33.23 O ATOM 230 CB PHE A 16 -1.706 4.594 -3.223 1.00 43.31 C ATOM 231 CG PHE A 16 -0.679 4.672 -2.095 1.00 11.14 C ATOM 232 CD1 PHE A 16 -0.868 5.538 -1.019 1.00 74.23 C ATOM 233 CD2 PHE A 16 0.459 3.873 -2.099 1.00 33.31 C ATOM 234 CE1 PHE A 16 0.055 5.602 0.008 1.00 14.23 C ATOM 235 CE2 PHE A 16 1.376 3.937 -1.077 1.00 73.42 C ATOM 236 CZ PHE A 16 1.172 4.798 -0.019 1.00 14.20 C ATOM 0 H PHE A 16 -1.867 2.130 -2.709 1.00 14.03 H new ATOM 0 HA PHE A 16 -3.426 4.388 -1.930 1.00 45.42 H new ATOM 0 HB2 PHE A 16 -1.266 4.060 -4.066 1.00 43.31 H new ATOM 0 HB3 PHE A 16 -1.931 5.603 -3.567 1.00 43.31 H new ATOM 0 HD1 PHE A 16 -1.746 6.166 -0.987 1.00 74.23 H new ATOM 0 HD2 PHE A 16 0.625 3.190 -2.919 1.00 33.31 H new ATOM 0 HE1 PHE A 16 -0.100 6.283 0.832 1.00 14.23 H new ATOM 0 HE2 PHE A 16 2.257 3.313 -1.102 1.00 73.42 H new ATOM 0 HZ PHE A 16 1.888 4.841 0.788 1.00 14.20 H new ATOM 246 N GLN A 17 -4.142 3.002 -4.837 1.00 24.43 N ATOM 247 CA GLN A 17 -5.154 2.938 -5.914 1.00 64.14 C ATOM 248 C GLN A 17 -6.556 2.756 -5.322 1.00 65.14 C ATOM 249 O GLN A 17 -7.533 3.260 -5.879 1.00 11.11 O ATOM 250 CB GLN A 17 -4.863 1.791 -6.910 1.00 75.01 C ATOM 251 CG GLN A 17 -3.529 1.913 -7.665 1.00 32.50 C ATOM 252 CD GLN A 17 -3.284 0.779 -8.662 1.00 75.22 C ATOM 253 OE1 GLN A 17 -4.217 0.236 -9.249 1.00 65.41 O ATOM 254 NE2 GLN A 17 -2.027 0.412 -8.856 1.00 24.15 N ATOM 0 H GLN A 17 -3.502 2.208 -4.825 1.00 24.43 H new ATOM 0 HA GLN A 17 -5.105 3.882 -6.457 1.00 64.14 H new ATOM 0 HB2 GLN A 17 -4.871 0.846 -6.366 1.00 75.01 H new ATOM 0 HB3 GLN A 17 -5.673 1.747 -7.638 1.00 75.01 H new ATOM 0 HG2 GLN A 17 -3.508 2.864 -8.197 1.00 32.50 H new ATOM 0 HG3 GLN A 17 -2.713 1.933 -6.943 1.00 32.50 H new ATOM 0 HE21 GLN A 17 -1.275 0.883 -8.353 1.00 24.15 H new ATOM 0 HE22 GLN A 17 -1.811 -0.342 -9.508 1.00 24.15 H new ATOM 263 N LEU A 18 -6.645 2.024 -4.193 1.00 12.33 N ATOM 264 CA LEU A 18 -7.912 1.845 -3.475 1.00 64.42 C ATOM 265 C LEU A 18 -8.313 3.138 -2.733 1.00 41.40 C ATOM 266 O LEU A 18 -9.496 3.458 -2.666 1.00 3.12 O ATOM 267 CB LEU A 18 -7.866 0.637 -2.495 1.00 70.22 C ATOM 268 CG LEU A 18 -7.654 -0.783 -3.128 1.00 34.20 C ATOM 269 CD1 LEU A 18 -7.899 -1.895 -2.089 1.00 55.30 C ATOM 270 CD2 LEU A 18 -8.526 -1.003 -4.386 1.00 63.13 C ATOM 0 H LEU A 18 -5.851 1.549 -3.763 1.00 12.33 H new ATOM 0 HA LEU A 18 -8.674 1.624 -4.222 1.00 64.42 H new ATOM 0 HB2 LEU A 18 -7.064 0.812 -1.778 1.00 70.22 H new ATOM 0 HB3 LEU A 18 -8.799 0.621 -1.932 1.00 70.22 H new ATOM 0 HG LEU A 18 -6.613 -0.833 -3.448 1.00 34.20 H new ATOM 0 HD11 LEU A 18 -7.745 -2.868 -2.555 1.00 55.30 H new ATOM 0 HD12 LEU A 18 -7.204 -1.776 -1.258 1.00 55.30 H new ATOM 0 HD13 LEU A 18 -8.922 -1.828 -1.718 1.00 55.30 H new ATOM 0 HD21 LEU A 18 -8.342 -2.000 -4.786 1.00 63.13 H new ATOM 0 HD22 LEU A 18 -9.579 -0.907 -4.120 1.00 63.13 H new ATOM 0 HD23 LEU A 18 -8.272 -0.257 -5.140 1.00 63.13 H new ATOM 282 N TRP A 19 -7.328 3.886 -2.198 1.00 44.52 N ATOM 283 CA TRP A 19 -7.592 5.139 -1.438 1.00 40.13 C ATOM 284 C TRP A 19 -8.259 6.217 -2.319 1.00 24.11 C ATOM 285 O TRP A 19 -9.047 7.036 -1.828 1.00 21.43 O ATOM 286 CB TRP A 19 -6.287 5.683 -0.804 1.00 34.55 C ATOM 287 CG TRP A 19 -5.699 4.830 0.300 1.00 71.44 C ATOM 288 CD1 TRP A 19 -6.138 3.610 0.751 1.00 31.53 C ATOM 289 CD2 TRP A 19 -4.567 5.163 1.110 1.00 72.13 C ATOM 290 NE1 TRP A 19 -5.330 3.161 1.759 1.00 62.40 N ATOM 291 CE2 TRP A 19 -4.367 4.101 2.009 1.00 50.04 C ATOM 292 CE3 TRP A 19 -3.710 6.266 1.162 1.00 10.24 C ATOM 293 CZ2 TRP A 19 -3.332 4.099 2.940 1.00 24.32 C ATOM 294 CZ3 TRP A 19 -2.685 6.267 2.088 1.00 71.22 C ATOM 295 CH2 TRP A 19 -2.507 5.190 2.970 1.00 13.32 C ATOM 0 H TRP A 19 -6.339 3.650 -2.275 1.00 44.52 H new ATOM 0 HA TRP A 19 -8.291 4.892 -0.639 1.00 40.13 H new ATOM 0 HB2 TRP A 19 -5.540 5.796 -1.590 1.00 34.55 H new ATOM 0 HB3 TRP A 19 -6.484 6.678 -0.406 1.00 34.55 H new ATOM 0 HD1 TRP A 19 -6.997 3.081 0.366 1.00 31.53 H new ATOM 0 HE1 TRP A 19 -5.429 2.270 2.246 1.00 62.40 H new ATOM 0 HE3 TRP A 19 -3.847 7.101 0.491 1.00 10.24 H new ATOM 0 HZ2 TRP A 19 -3.186 3.267 3.613 1.00 24.32 H new ATOM 0 HZ3 TRP A 19 -2.010 7.109 2.134 1.00 71.22 H new ATOM 0 HH2 TRP A 19 -1.701 5.223 3.688 1.00 13.32 H new ATOM 306 N LYS A 20 -7.936 6.199 -3.624 1.00 1.21 N ATOM 307 CA LYS A 20 -8.544 7.108 -4.616 1.00 11.04 C ATOM 308 C LYS A 20 -9.777 6.453 -5.282 1.00 63.43 C ATOM 309 O LYS A 20 -10.720 7.152 -5.668 1.00 1.11 O ATOM 310 CB LYS A 20 -7.497 7.512 -5.691 1.00 14.31 C ATOM 311 CG LYS A 20 -6.975 6.339 -6.548 1.00 3.44 C ATOM 312 CD LYS A 20 -5.896 6.748 -7.569 1.00 63.22 C ATOM 313 CE LYS A 20 -4.610 7.287 -6.916 1.00 31.35 C ATOM 314 NZ LYS A 20 -3.577 7.618 -7.937 1.00 22.41 N ATOM 0 H LYS A 20 -7.249 5.558 -4.021 1.00 1.21 H new ATOM 0 HA LYS A 20 -8.877 8.007 -4.096 1.00 11.04 H new ATOM 0 HB2 LYS A 20 -7.941 8.258 -6.350 1.00 14.31 H new ATOM 0 HB3 LYS A 20 -6.651 7.988 -5.195 1.00 14.31 H new ATOM 0 HG2 LYS A 20 -6.567 5.573 -5.889 1.00 3.44 H new ATOM 0 HG3 LYS A 20 -7.813 5.888 -7.080 1.00 3.44 H new ATOM 0 HD2 LYS A 20 -5.647 5.886 -8.188 1.00 63.22 H new ATOM 0 HD3 LYS A 20 -6.305 7.510 -8.233 1.00 63.22 H new ATOM 0 HE2 LYS A 20 -4.843 8.177 -6.331 1.00 31.35 H new ATOM 0 HE3 LYS A 20 -4.214 6.545 -6.223 1.00 31.35 H new ATOM 0 HZ1 LYS A 20 -2.724 7.978 -7.464 1.00 22.41 H new ATOM 0 HZ2 LYS A 20 -3.338 6.763 -8.478 1.00 22.41 H new ATOM 0 HZ3 LYS A 20 -3.947 8.344 -8.583 1.00 22.41 H new ATOM 328 N ASN A 21 -9.760 5.104 -5.406 1.00 34.02 N ATOM 329 CA ASN A 21 -10.808 4.336 -6.117 1.00 63.21 C ATOM 330 C ASN A 21 -10.802 2.857 -5.627 1.00 14.32 C ATOM 331 O ASN A 21 -10.101 2.015 -6.202 1.00 51.34 O ATOM 332 CB ASN A 21 -10.578 4.431 -7.656 1.00 74.11 C ATOM 333 CG ASN A 21 -11.690 3.789 -8.493 1.00 1.53 C ATOM 334 OD1 ASN A 21 -12.669 4.441 -8.847 1.00 72.50 O ATOM 335 ND2 ASN A 21 -11.540 2.520 -8.841 1.00 42.22 N ATOM 0 H ASN A 21 -9.020 4.520 -5.016 1.00 34.02 H new ATOM 0 HA ASN A 21 -11.789 4.758 -5.897 1.00 63.21 H new ATOM 0 HB2 ASN A 21 -10.487 5.481 -7.935 1.00 74.11 H new ATOM 0 HB3 ASN A 21 -9.630 3.952 -7.902 1.00 74.11 H new ATOM 0 HD21 ASN A 21 -12.247 2.062 -9.416 1.00 42.22 H new ATOM 0 HD22 ASN A 21 -10.718 2.001 -8.534 1.00 42.22 H new ATOM 342 N PRO A 22 -11.554 2.524 -4.517 1.00 23.41 N ATOM 343 CA PRO A 22 -11.556 1.154 -3.905 1.00 23.52 C ATOM 344 C PRO A 22 -12.253 0.080 -4.772 1.00 35.11 C ATOM 345 O PRO A 22 -12.253 -1.106 -4.427 1.00 0.53 O ATOM 346 CB PRO A 22 -12.272 1.380 -2.549 1.00 55.33 C ATOM 347 CG PRO A 22 -13.165 2.565 -2.780 1.00 12.30 C ATOM 348 CD PRO A 22 -12.426 3.459 -3.753 1.00 54.53 C ATOM 0 HA PRO A 22 -10.548 0.751 -3.801 1.00 23.52 H new ATOM 0 HB2 PRO A 22 -12.847 0.502 -2.254 1.00 55.33 H new ATOM 0 HB3 PRO A 22 -11.556 1.574 -1.751 1.00 55.33 H new ATOM 0 HG2 PRO A 22 -14.127 2.255 -3.188 1.00 12.30 H new ATOM 0 HG3 PRO A 22 -13.368 3.089 -1.846 1.00 12.30 H new ATOM 0 HD2 PRO A 22 -13.116 3.988 -4.411 1.00 54.53 H new ATOM 0 HD3 PRO A 22 -11.839 4.215 -3.232 1.00 54.53 H new ATOM 356 N THR A 23 -12.824 0.514 -5.902 1.00 54.25 N ATOM 357 CA THR A 23 -13.493 -0.358 -6.873 1.00 13.24 C ATOM 358 C THR A 23 -12.541 -0.757 -8.028 1.00 4.30 C ATOM 359 O THR A 23 -12.983 -1.382 -9.003 1.00 64.31 O ATOM 360 CB THR A 23 -14.757 0.372 -7.438 1.00 1.32 C ATOM 361 OG1 THR A 23 -14.368 1.627 -8.031 1.00 54.32 O ATOM 362 CG2 THR A 23 -15.808 0.630 -6.338 1.00 25.11 C ATOM 0 H THR A 23 -12.834 1.498 -6.171 1.00 54.25 H new ATOM 0 HA THR A 23 -13.793 -1.275 -6.366 1.00 13.24 H new ATOM 0 HB THR A 23 -15.207 -0.276 -8.190 1.00 1.32 H new ATOM 0 HG1 THR A 23 -15.161 2.081 -8.385 1.00 54.32 H new ATOM 0 HG21 THR A 23 -16.670 1.138 -6.770 1.00 25.11 H new ATOM 0 HG22 THR A 23 -16.125 -0.320 -5.908 1.00 25.11 H new ATOM 0 HG23 THR A 23 -15.372 1.254 -5.558 1.00 25.11 H new ATOM 370 N ASP A 24 -11.234 -0.401 -7.912 1.00 13.43 N ATOM 371 CA ASP A 24 -10.222 -0.703 -8.954 1.00 61.13 C ATOM 372 C ASP A 24 -10.024 -2.233 -9.069 1.00 44.41 C ATOM 373 O ASP A 24 -9.596 -2.850 -8.089 1.00 55.13 O ATOM 374 CB ASP A 24 -8.867 -0.002 -8.636 1.00 33.24 C ATOM 375 CG ASP A 24 -7.869 -0.050 -9.818 1.00 23.21 C ATOM 376 OD1 ASP A 24 -7.632 0.994 -10.454 1.00 23.45 O ATOM 377 OD2 ASP A 24 -7.349 -1.139 -10.138 1.00 20.40 O ATOM 0 H ASP A 24 -10.858 0.096 -7.105 1.00 13.43 H new ATOM 0 HA ASP A 24 -10.583 -0.318 -9.908 1.00 61.13 H new ATOM 0 HB2 ASP A 24 -9.056 1.038 -8.369 1.00 33.24 H new ATOM 0 HB3 ASP A 24 -8.414 -0.477 -7.766 1.00 33.24 H new ATOM 382 N PRO A 25 -10.321 -2.860 -10.259 1.00 73.32 N ATOM 383 CA PRO A 25 -10.283 -4.335 -10.423 1.00 11.53 C ATOM 384 C PRO A 25 -8.865 -4.920 -10.283 1.00 61.51 C ATOM 385 O PRO A 25 -8.685 -5.968 -9.662 1.00 64.31 O ATOM 386 CB PRO A 25 -10.860 -4.552 -11.849 1.00 62.35 C ATOM 387 CG PRO A 25 -10.565 -3.271 -12.572 1.00 32.03 C ATOM 388 CD PRO A 25 -10.717 -2.183 -11.529 1.00 22.43 C ATOM 0 HA PRO A 25 -10.850 -4.849 -9.647 1.00 11.53 H new ATOM 0 HB2 PRO A 25 -10.390 -5.403 -12.342 1.00 62.35 H new ATOM 0 HB3 PRO A 25 -11.931 -4.753 -11.818 1.00 62.35 H new ATOM 0 HG2 PRO A 25 -9.559 -3.278 -12.990 1.00 32.03 H new ATOM 0 HG3 PRO A 25 -11.255 -3.120 -13.403 1.00 32.03 H new ATOM 0 HD2 PRO A 25 -10.076 -1.328 -11.745 1.00 22.43 H new ATOM 0 HD3 PRO A 25 -11.741 -1.811 -11.483 1.00 22.43 H new ATOM 396 N GLU A 26 -7.869 -4.209 -10.829 1.00 11.14 N ATOM 397 CA GLU A 26 -6.474 -4.680 -10.869 1.00 21.02 C ATOM 398 C GLU A 26 -5.869 -4.654 -9.461 1.00 72.43 C ATOM 399 O GLU A 26 -5.275 -5.639 -9.009 1.00 31.53 O ATOM 400 CB GLU A 26 -5.637 -3.797 -11.835 1.00 20.44 C ATOM 401 CG GLU A 26 -6.259 -3.596 -13.237 1.00 23.43 C ATOM 402 CD GLU A 26 -6.590 -4.917 -13.954 1.00 2.24 C ATOM 403 OE1 GLU A 26 -5.679 -5.528 -14.555 1.00 51.12 O ATOM 404 OE2 GLU A 26 -7.761 -5.363 -13.906 1.00 31.45 O ATOM 0 H GLU A 26 -8.005 -3.292 -11.255 1.00 11.14 H new ATOM 0 HA GLU A 26 -6.459 -5.706 -11.236 1.00 21.02 H new ATOM 0 HB2 GLU A 26 -5.490 -2.820 -11.375 1.00 20.44 H new ATOM 0 HB3 GLU A 26 -4.651 -4.246 -11.952 1.00 20.44 H new ATOM 0 HG2 GLU A 26 -7.170 -3.005 -13.141 1.00 23.43 H new ATOM 0 HG3 GLU A 26 -5.569 -3.020 -13.853 1.00 23.43 H new ATOM 411 N ALA A 27 -6.077 -3.512 -8.780 1.00 1.02 N ATOM 412 CA ALA A 27 -5.564 -3.249 -7.433 1.00 34.43 C ATOM 413 C ALA A 27 -6.090 -4.278 -6.426 1.00 21.42 C ATOM 414 O ALA A 27 -5.305 -4.978 -5.787 1.00 1.31 O ATOM 415 CB ALA A 27 -5.942 -1.823 -7.002 1.00 23.43 C ATOM 0 H ALA A 27 -6.617 -2.735 -9.162 1.00 1.02 H new ATOM 0 HA ALA A 27 -4.478 -3.338 -7.454 1.00 34.43 H new ATOM 0 HB1 ALA A 27 -5.558 -1.632 -6.000 1.00 23.43 H new ATOM 0 HB2 ALA A 27 -5.509 -1.105 -7.699 1.00 23.43 H new ATOM 0 HB3 ALA A 27 -7.027 -1.719 -7.001 1.00 23.43 H new ATOM 421 N GLN A 28 -7.431 -4.392 -6.340 1.00 4.24 N ATOM 422 CA GLN A 28 -8.104 -5.278 -5.370 1.00 20.34 C ATOM 423 C GLN A 28 -7.738 -6.763 -5.612 1.00 44.40 C ATOM 424 O GLN A 28 -7.610 -7.535 -4.654 1.00 42.11 O ATOM 425 CB GLN A 28 -9.648 -5.082 -5.434 1.00 64.15 C ATOM 426 CG GLN A 28 -10.311 -5.611 -6.727 1.00 75.43 C ATOM 427 CD GLN A 28 -11.810 -5.344 -6.843 1.00 62.53 C ATOM 428 OE1 GLN A 28 -12.543 -6.159 -7.403 1.00 44.24 O ATOM 429 NE2 GLN A 28 -12.277 -4.185 -6.385 1.00 41.20 N ATOM 0 H GLN A 28 -8.075 -3.875 -6.938 1.00 4.24 H new ATOM 0 HA GLN A 28 -7.755 -5.006 -4.374 1.00 20.34 H new ATOM 0 HB2 GLN A 28 -10.100 -5.583 -4.578 1.00 64.15 H new ATOM 0 HB3 GLN A 28 -9.871 -4.020 -5.336 1.00 64.15 H new ATOM 0 HG2 GLN A 28 -9.810 -5.161 -7.584 1.00 75.43 H new ATOM 0 HG3 GLN A 28 -10.143 -6.686 -6.789 1.00 75.43 H new ATOM 0 HE21 GLN A 28 -11.647 -3.528 -5.925 1.00 41.20 H new ATOM 0 HE22 GLN A 28 -13.265 -3.954 -6.494 1.00 41.20 H new ATOM 438 N GLU A 29 -7.557 -7.135 -6.900 1.00 31.00 N ATOM 439 CA GLU A 29 -7.301 -8.522 -7.306 1.00 43.33 C ATOM 440 C GLU A 29 -5.907 -8.964 -6.871 1.00 44.04 C ATOM 441 O GLU A 29 -5.759 -10.004 -6.222 1.00 31.23 O ATOM 442 CB GLU A 29 -7.439 -8.693 -8.839 1.00 75.11 C ATOM 443 CG GLU A 29 -7.255 -10.144 -9.327 1.00 4.32 C ATOM 444 CD GLU A 29 -7.174 -10.283 -10.852 1.00 20.44 C ATOM 445 OE1 GLU A 29 -6.069 -10.501 -11.389 1.00 72.32 O ATOM 446 OE2 GLU A 29 -8.220 -10.183 -11.519 1.00 73.21 O ATOM 0 H GLU A 29 -7.586 -6.478 -7.680 1.00 31.00 H new ATOM 0 HA GLU A 29 -8.047 -9.147 -6.815 1.00 43.33 H new ATOM 0 HB2 GLU A 29 -8.423 -8.339 -9.147 1.00 75.11 H new ATOM 0 HB3 GLU A 29 -6.703 -8.058 -9.333 1.00 75.11 H new ATOM 0 HG2 GLU A 29 -6.345 -10.552 -8.886 1.00 4.32 H new ATOM 0 HG3 GLU A 29 -8.085 -10.748 -8.961 1.00 4.32 H new ATOM 453 N LEU A 30 -4.889 -8.149 -7.229 1.00 21.13 N ATOM 454 CA LEU A 30 -3.483 -8.485 -6.972 1.00 73.21 C ATOM 455 C LEU A 30 -3.237 -8.578 -5.454 1.00 73.21 C ATOM 456 O LEU A 30 -2.548 -9.488 -4.998 1.00 61.34 O ATOM 457 CB LEU A 30 -2.518 -7.488 -7.711 1.00 70.23 C ATOM 458 CG LEU A 30 -2.425 -5.992 -7.215 1.00 11.14 C ATOM 459 CD1 LEU A 30 -1.431 -5.825 -6.046 1.00 10.32 C ATOM 460 CD2 LEU A 30 -2.053 -5.027 -8.364 1.00 61.45 C ATOM 0 H LEU A 30 -5.023 -7.253 -7.698 1.00 21.13 H new ATOM 0 HA LEU A 30 -3.258 -9.467 -7.388 1.00 73.21 H new ATOM 0 HB2 LEU A 30 -1.514 -7.911 -7.667 1.00 70.23 H new ATOM 0 HB3 LEU A 30 -2.810 -7.467 -8.761 1.00 70.23 H new ATOM 0 HG LEU A 30 -3.420 -5.733 -6.853 1.00 11.14 H new ATOM 0 HD11 LEU A 30 -1.402 -4.779 -5.740 1.00 10.32 H new ATOM 0 HD12 LEU A 30 -1.751 -6.440 -5.205 1.00 10.32 H new ATOM 0 HD13 LEU A 30 -0.437 -6.137 -6.366 1.00 10.32 H new ATOM 0 HD21 LEU A 30 -1.999 -4.008 -7.980 1.00 61.45 H new ATOM 0 HD22 LEU A 30 -1.085 -5.310 -8.778 1.00 61.45 H new ATOM 0 HD23 LEU A 30 -2.812 -5.081 -9.145 1.00 61.45 H new ATOM 472 N LEU A 31 -3.882 -7.660 -4.684 1.00 22.44 N ATOM 473 CA LEU A 31 -3.830 -7.644 -3.200 1.00 50.33 C ATOM 474 C LEU A 31 -4.401 -8.943 -2.608 1.00 30.21 C ATOM 475 O LEU A 31 -3.912 -9.434 -1.592 1.00 43.42 O ATOM 476 CB LEU A 31 -4.620 -6.430 -2.621 1.00 23.14 C ATOM 477 CG LEU A 31 -4.052 -5.016 -2.944 1.00 64.20 C ATOM 478 CD1 LEU A 31 -4.944 -3.893 -2.382 1.00 1.14 C ATOM 479 CD2 LEU A 31 -2.618 -4.866 -2.433 1.00 2.32 C ATOM 0 H LEU A 31 -4.452 -6.911 -5.077 1.00 22.44 H new ATOM 0 HA LEU A 31 -2.780 -7.555 -2.920 1.00 50.33 H new ATOM 0 HB2 LEU A 31 -5.644 -6.480 -2.993 1.00 23.14 H new ATOM 0 HB3 LEU A 31 -4.668 -6.539 -1.538 1.00 23.14 H new ATOM 0 HG LEU A 31 -4.044 -4.919 -4.030 1.00 64.20 H new ATOM 0 HD11 LEU A 31 -4.510 -2.925 -2.631 1.00 1.14 H new ATOM 0 HD12 LEU A 31 -5.940 -3.967 -2.818 1.00 1.14 H new ATOM 0 HD13 LEU A 31 -5.014 -3.992 -1.299 1.00 1.14 H new ATOM 0 HD21 LEU A 31 -2.249 -3.869 -2.673 1.00 2.32 H new ATOM 0 HD22 LEU A 31 -2.600 -5.009 -1.353 1.00 2.32 H new ATOM 0 HD23 LEU A 31 -1.982 -5.613 -2.909 1.00 2.32 H new ATOM 491 N ASN A 32 -5.441 -9.485 -3.260 1.00 14.12 N ATOM 492 CA ASN A 32 -6.127 -10.710 -2.805 1.00 31.44 C ATOM 493 C ASN A 32 -5.251 -11.953 -3.059 1.00 12.42 C ATOM 494 O ASN A 32 -5.333 -12.950 -2.329 1.00 51.45 O ATOM 495 CB ASN A 32 -7.505 -10.823 -3.522 1.00 1.23 C ATOM 496 CG ASN A 32 -8.444 -11.888 -2.941 1.00 13.15 C ATOM 497 OD1 ASN A 32 -8.316 -12.296 -1.786 1.00 11.01 O ATOM 498 ND2 ASN A 32 -9.450 -12.272 -3.707 1.00 54.20 N ATOM 0 H ASN A 32 -5.831 -9.090 -4.115 1.00 14.12 H new ATOM 0 HA ASN A 32 -6.298 -10.654 -1.730 1.00 31.44 H new ATOM 0 HB2 ASN A 32 -8.003 -9.855 -3.477 1.00 1.23 H new ATOM 0 HB3 ASN A 32 -7.334 -11.044 -4.576 1.00 1.23 H new ATOM 0 HD21 ASN A 32 -10.147 -12.923 -3.345 1.00 54.20 H new ATOM 0 HD22 ASN A 32 -9.530 -11.917 -4.660 1.00 54.20 H new ATOM 505 N LYS A 33 -4.405 -11.868 -4.100 1.00 64.15 N ATOM 506 CA LYS A 33 -3.531 -12.969 -4.534 1.00 21.44 C ATOM 507 C LYS A 33 -2.246 -13.043 -3.685 1.00 62.43 C ATOM 508 O LYS A 33 -1.804 -14.136 -3.320 1.00 72.25 O ATOM 509 CB LYS A 33 -3.170 -12.778 -6.032 1.00 41.11 C ATOM 510 CG LYS A 33 -4.385 -12.816 -6.990 1.00 51.44 C ATOM 511 CD LYS A 33 -4.034 -12.406 -8.440 1.00 25.22 C ATOM 512 CE LYS A 33 -2.963 -13.301 -9.090 1.00 52.42 C ATOM 513 NZ LYS A 33 -2.720 -12.925 -10.508 1.00 1.10 N ATOM 0 H LYS A 33 -4.309 -11.026 -4.668 1.00 64.15 H new ATOM 0 HA LYS A 33 -4.069 -13.907 -4.398 1.00 21.44 H new ATOM 0 HB2 LYS A 33 -2.658 -11.823 -6.151 1.00 41.11 H new ATOM 0 HB3 LYS A 33 -2.466 -13.556 -6.326 1.00 41.11 H new ATOM 0 HG2 LYS A 33 -4.803 -13.823 -6.996 1.00 51.44 H new ATOM 0 HG3 LYS A 33 -5.160 -12.151 -6.609 1.00 51.44 H new ATOM 0 HD2 LYS A 33 -4.939 -12.437 -9.047 1.00 25.22 H new ATOM 0 HD3 LYS A 33 -3.684 -11.374 -8.442 1.00 25.22 H new ATOM 0 HE2 LYS A 33 -2.032 -13.222 -8.528 1.00 52.42 H new ATOM 0 HE3 LYS A 33 -3.279 -14.343 -9.039 1.00 52.42 H new ATOM 0 HZ1 LYS A 33 -1.993 -13.549 -10.913 1.00 1.10 H new ATOM 0 HZ2 LYS A 33 -3.602 -13.024 -11.050 1.00 1.10 H new ATOM 0 HZ3 LYS A 33 -2.394 -11.938 -10.555 1.00 1.10 H new ATOM 527 N ILE A 34 -1.647 -11.872 -3.386 1.00 42.52 N ATOM 528 CA ILE A 34 -0.291 -11.786 -2.781 1.00 32.25 C ATOM 529 C ILE A 34 -0.344 -11.536 -1.255 1.00 11.41 C ATOM 530 O ILE A 34 0.464 -12.095 -0.497 1.00 32.24 O ATOM 531 CB ILE A 34 0.582 -10.684 -3.509 1.00 54.44 C ATOM 532 CG1 ILE A 34 0.004 -9.244 -3.293 1.00 51.44 C ATOM 533 CG2 ILE A 34 0.715 -11.018 -5.021 1.00 54.31 C ATOM 534 CD1 ILE A 34 0.642 -8.150 -4.129 1.00 64.14 C ATOM 0 H ILE A 34 -2.080 -10.964 -3.553 1.00 42.52 H new ATOM 0 HA ILE A 34 0.187 -12.755 -2.926 1.00 32.25 H new ATOM 0 HB ILE A 34 1.576 -10.694 -3.062 1.00 54.44 H new ATOM 0 HG12 ILE A 34 -1.064 -9.265 -3.508 1.00 51.44 H new ATOM 0 HG13 ILE A 34 0.112 -8.982 -2.240 1.00 51.44 H new ATOM 0 HG21 ILE A 34 1.317 -10.253 -5.511 1.00 54.31 H new ATOM 0 HG22 ILE A 34 1.196 -11.989 -5.138 1.00 54.31 H new ATOM 0 HG23 ILE A 34 -0.275 -11.046 -5.476 1.00 54.31 H new ATOM 0 HD11 ILE A 34 0.168 -7.195 -3.902 1.00 64.14 H new ATOM 0 HD12 ILE A 34 1.706 -8.091 -3.900 1.00 64.14 H new ATOM 0 HD13 ILE A 34 0.511 -8.377 -5.187 1.00 64.14 H new ATOM 546 N LEU A 35 -1.296 -10.693 -0.819 1.00 14.31 N ATOM 547 CA LEU A 35 -1.528 -10.397 0.610 1.00 63.22 C ATOM 548 C LEU A 35 -2.696 -11.254 1.117 1.00 0.40 C ATOM 549 O LEU A 35 -3.305 -12.008 0.344 1.00 63.34 O ATOM 550 CB LEU A 35 -1.859 -8.885 0.818 1.00 32.11 C ATOM 551 CG LEU A 35 -0.875 -7.847 0.191 1.00 54.13 C ATOM 552 CD1 LEU A 35 -1.289 -6.403 0.532 1.00 24.42 C ATOM 553 CD2 LEU A 35 0.577 -8.112 0.615 1.00 25.44 C ATOM 0 H LEU A 35 -1.928 -10.196 -1.446 1.00 14.31 H new ATOM 0 HA LEU A 35 -0.622 -10.630 1.169 1.00 63.22 H new ATOM 0 HB2 LEU A 35 -2.853 -8.697 0.411 1.00 32.11 H new ATOM 0 HB3 LEU A 35 -1.913 -8.695 1.890 1.00 32.11 H new ATOM 0 HG LEU A 35 -0.931 -7.968 -0.891 1.00 54.13 H new ATOM 0 HD11 LEU A 35 -0.583 -5.706 0.080 1.00 24.42 H new ATOM 0 HD12 LEU A 35 -2.289 -6.210 0.143 1.00 24.42 H new ATOM 0 HD13 LEU A 35 -1.288 -6.270 1.614 1.00 24.42 H new ATOM 0 HD21 LEU A 35 1.231 -7.369 0.158 1.00 25.44 H new ATOM 0 HD22 LEU A 35 0.657 -8.047 1.700 1.00 25.44 H new ATOM 0 HD23 LEU A 35 0.876 -9.108 0.288 1.00 25.44 H new ATOM 565 N SER A 36 -3.006 -11.124 2.415 1.00 62.42 N ATOM 566 CA SER A 36 -4.201 -11.728 3.008 1.00 63.00 C ATOM 567 C SER A 36 -5.480 -11.030 2.474 1.00 13.35 C ATOM 568 O SER A 36 -5.460 -9.813 2.219 1.00 3.20 O ATOM 569 CB SER A 36 -4.135 -11.622 4.549 1.00 13.13 C ATOM 570 OG SER A 36 -2.989 -12.278 5.062 1.00 40.25 O ATOM 0 H SER A 36 -2.436 -10.599 3.078 1.00 62.42 H new ATOM 0 HA SER A 36 -4.240 -12.781 2.728 1.00 63.00 H new ATOM 0 HB2 SER A 36 -4.118 -10.573 4.843 1.00 13.13 H new ATOM 0 HB3 SER A 36 -5.033 -12.060 4.985 1.00 13.13 H new ATOM 0 HG SER A 36 -3.123 -12.475 6.013 1.00 40.25 H new ATOM 576 N PRO A 37 -6.608 -11.784 2.275 1.00 24.32 N ATOM 577 CA PRO A 37 -7.920 -11.186 1.901 1.00 31.54 C ATOM 578 C PRO A 37 -8.430 -10.172 2.955 1.00 60.24 C ATOM 579 O PRO A 37 -9.232 -9.283 2.650 1.00 10.54 O ATOM 580 CB PRO A 37 -8.857 -12.418 1.780 1.00 23.12 C ATOM 581 CG PRO A 37 -7.936 -13.584 1.551 1.00 55.30 C ATOM 582 CD PRO A 37 -6.691 -13.270 2.349 1.00 75.12 C ATOM 0 HA PRO A 37 -7.864 -10.604 0.981 1.00 31.54 H new ATOM 0 HB2 PRO A 37 -9.449 -12.554 2.685 1.00 23.12 H new ATOM 0 HB3 PRO A 37 -9.559 -12.301 0.954 1.00 23.12 H new ATOM 0 HG2 PRO A 37 -8.392 -14.517 1.883 1.00 55.30 H new ATOM 0 HG3 PRO A 37 -7.706 -13.701 0.492 1.00 55.30 H new ATOM 0 HD2 PRO A 37 -6.774 -13.618 3.379 1.00 75.12 H new ATOM 0 HD3 PRO A 37 -5.808 -13.745 1.922 1.00 75.12 H new ATOM 590 N ASP A 38 -7.928 -10.326 4.190 1.00 74.30 N ATOM 591 CA ASP A 38 -8.207 -9.423 5.323 1.00 41.13 C ATOM 592 C ASP A 38 -7.625 -8.017 5.063 1.00 44.05 C ATOM 593 O ASP A 38 -8.242 -7.007 5.421 1.00 53.13 O ATOM 594 CB ASP A 38 -7.587 -10.010 6.624 1.00 20.52 C ATOM 595 CG ASP A 38 -7.936 -11.491 6.848 1.00 43.53 C ATOM 596 OD1 ASP A 38 -8.998 -11.787 7.437 1.00 4.44 O ATOM 597 OD2 ASP A 38 -7.164 -12.372 6.401 1.00 25.41 O ATOM 0 H ASP A 38 -7.305 -11.095 4.436 1.00 74.30 H new ATOM 0 HA ASP A 38 -9.288 -9.335 5.435 1.00 41.13 H new ATOM 0 HB2 ASP A 38 -6.503 -9.901 6.583 1.00 20.52 H new ATOM 0 HB3 ASP A 38 -7.934 -9.429 7.478 1.00 20.52 H new ATOM 602 N VAL A 39 -6.435 -7.980 4.421 1.00 25.13 N ATOM 603 CA VAL A 39 -5.685 -6.738 4.172 1.00 62.11 C ATOM 604 C VAL A 39 -6.419 -5.832 3.165 1.00 43.15 C ATOM 605 O VAL A 39 -6.629 -4.656 3.443 1.00 33.44 O ATOM 606 CB VAL A 39 -4.218 -7.024 3.677 1.00 34.42 C ATOM 607 CG1 VAL A 39 -3.464 -5.712 3.347 1.00 60.21 C ATOM 608 CG2 VAL A 39 -3.431 -7.858 4.722 1.00 24.52 C ATOM 0 H VAL A 39 -5.971 -8.815 4.062 1.00 25.13 H new ATOM 0 HA VAL A 39 -5.620 -6.216 5.126 1.00 62.11 H new ATOM 0 HB VAL A 39 -4.292 -7.606 2.758 1.00 34.42 H new ATOM 0 HG11 VAL A 39 -2.455 -5.947 3.009 1.00 60.21 H new ATOM 0 HG12 VAL A 39 -3.995 -5.175 2.560 1.00 60.21 H new ATOM 0 HG13 VAL A 39 -3.411 -5.088 4.239 1.00 60.21 H new ATOM 0 HG21 VAL A 39 -2.421 -8.041 4.355 1.00 24.52 H new ATOM 0 HG22 VAL A 39 -3.381 -7.309 5.663 1.00 24.52 H new ATOM 0 HG23 VAL A 39 -3.937 -8.810 4.883 1.00 24.52 H new ATOM 618 N LEU A 40 -6.835 -6.396 2.010 1.00 24.24 N ATOM 619 CA LEU A 40 -7.541 -5.625 0.958 1.00 52.40 C ATOM 620 C LEU A 40 -8.851 -5.026 1.517 1.00 43.21 C ATOM 621 O LEU A 40 -9.266 -3.930 1.122 1.00 3.41 O ATOM 622 CB LEU A 40 -7.823 -6.534 -0.287 1.00 53.23 C ATOM 623 CG LEU A 40 -8.983 -7.599 -0.156 1.00 71.13 C ATOM 624 CD1 LEU A 40 -10.363 -7.062 -0.629 1.00 20.11 C ATOM 625 CD2 LEU A 40 -8.638 -8.896 -0.881 1.00 10.34 C ATOM 0 H LEU A 40 -6.695 -7.380 1.781 1.00 24.24 H new ATOM 0 HA LEU A 40 -6.903 -4.801 0.638 1.00 52.40 H new ATOM 0 HB2 LEU A 40 -8.053 -5.886 -1.133 1.00 53.23 H new ATOM 0 HB3 LEU A 40 -6.903 -7.065 -0.533 1.00 53.23 H new ATOM 0 HG LEU A 40 -9.073 -7.808 0.910 1.00 71.13 H new ATOM 0 HD11 LEU A 40 -11.116 -7.842 -0.513 1.00 20.11 H new ATOM 0 HD12 LEU A 40 -10.642 -6.196 -0.028 1.00 20.11 H new ATOM 0 HD13 LEU A 40 -10.300 -6.771 -1.678 1.00 20.11 H new ATOM 0 HD21 LEU A 40 -9.459 -9.605 -0.769 1.00 10.34 H new ATOM 0 HD22 LEU A 40 -8.478 -8.690 -1.939 1.00 10.34 H new ATOM 0 HD23 LEU A 40 -7.730 -9.322 -0.453 1.00 10.34 H new ATOM 637 N ASP A 41 -9.478 -5.786 2.448 1.00 54.42 N ATOM 638 CA ASP A 41 -10.781 -5.448 3.027 1.00 11.42 C ATOM 639 C ASP A 41 -10.644 -4.252 3.973 1.00 10.02 C ATOM 640 O ASP A 41 -11.346 -3.264 3.810 1.00 71.14 O ATOM 641 CB ASP A 41 -11.405 -6.669 3.757 1.00 2.33 C ATOM 642 CG ASP A 41 -12.866 -6.424 4.186 1.00 63.05 C ATOM 643 OD1 ASP A 41 -13.145 -6.320 5.394 1.00 20.01 O ATOM 644 OD2 ASP A 41 -13.744 -6.331 3.302 1.00 60.25 O ATOM 0 H ASP A 41 -9.084 -6.653 2.813 1.00 54.42 H new ATOM 0 HA ASP A 41 -11.456 -5.173 2.217 1.00 11.42 H new ATOM 0 HB2 ASP A 41 -11.364 -7.539 3.101 1.00 2.33 H new ATOM 0 HB3 ASP A 41 -10.807 -6.905 4.637 1.00 2.33 H new ATOM 649 N GLN A 42 -9.693 -4.326 4.925 1.00 43.03 N ATOM 650 CA GLN A 42 -9.443 -3.223 5.878 1.00 1.21 C ATOM 651 C GLN A 42 -8.971 -1.941 5.146 1.00 30.24 C ATOM 652 O GLN A 42 -9.299 -0.826 5.575 1.00 15.31 O ATOM 653 CB GLN A 42 -8.423 -3.642 6.976 1.00 34.34 C ATOM 654 CG GLN A 42 -7.022 -4.026 6.458 1.00 43.15 C ATOM 655 CD GLN A 42 -5.977 -4.261 7.549 1.00 51.44 C ATOM 656 OE1 GLN A 42 -6.294 -4.669 8.669 1.00 14.13 O ATOM 657 NE2 GLN A 42 -4.714 -4.011 7.225 1.00 33.43 N ATOM 0 H GLN A 42 -9.086 -5.135 5.056 1.00 43.03 H new ATOM 0 HA GLN A 42 -10.389 -2.998 6.370 1.00 1.21 H new ATOM 0 HB2 GLN A 42 -8.318 -2.820 7.685 1.00 34.34 H new ATOM 0 HB3 GLN A 42 -8.834 -4.488 7.527 1.00 34.34 H new ATOM 0 HG2 GLN A 42 -7.108 -4.931 5.856 1.00 43.15 H new ATOM 0 HG3 GLN A 42 -6.665 -3.236 5.797 1.00 43.15 H new ATOM 0 HE21 GLN A 42 -4.484 -3.674 6.290 1.00 33.43 H new ATOM 0 HE22 GLN A 42 -3.973 -4.156 7.911 1.00 33.43 H new ATOM 666 N VAL A 43 -8.225 -2.115 4.030 1.00 24.05 N ATOM 667 CA VAL A 43 -7.757 -0.996 3.197 1.00 21.02 C ATOM 668 C VAL A 43 -8.951 -0.278 2.543 1.00 52.32 C ATOM 669 O VAL A 43 -9.048 0.935 2.658 1.00 3.22 O ATOM 670 CB VAL A 43 -6.707 -1.455 2.101 1.00 13.14 C ATOM 671 CG1 VAL A 43 -6.429 -0.343 1.054 1.00 74.35 C ATOM 672 CG2 VAL A 43 -5.375 -1.910 2.756 1.00 21.50 C ATOM 0 H VAL A 43 -7.935 -3.031 3.688 1.00 24.05 H new ATOM 0 HA VAL A 43 -7.240 -0.298 3.855 1.00 21.02 H new ATOM 0 HB VAL A 43 -7.153 -2.302 1.580 1.00 13.14 H new ATOM 0 HG11 VAL A 43 -5.704 -0.703 0.324 1.00 74.35 H new ATOM 0 HG12 VAL A 43 -7.357 -0.082 0.545 1.00 74.35 H new ATOM 0 HG13 VAL A 43 -6.030 0.538 1.556 1.00 74.35 H new ATOM 0 HG21 VAL A 43 -4.675 -2.219 1.980 1.00 21.50 H new ATOM 0 HG22 VAL A 43 -4.947 -1.083 3.323 1.00 21.50 H new ATOM 0 HG23 VAL A 43 -5.567 -2.748 3.426 1.00 21.50 H new ATOM 682 N ARG A 44 -9.874 -1.046 1.910 1.00 13.11 N ATOM 683 CA ARG A 44 -10.991 -0.465 1.123 1.00 11.11 C ATOM 684 C ARG A 44 -12.000 0.291 2.025 1.00 32.32 C ATOM 685 O ARG A 44 -12.604 1.272 1.584 1.00 13.54 O ATOM 686 CB ARG A 44 -11.731 -1.542 0.267 1.00 74.11 C ATOM 687 CG ARG A 44 -12.565 -2.548 1.085 1.00 40.34 C ATOM 688 CD ARG A 44 -13.447 -3.478 0.246 1.00 52.42 C ATOM 689 NE ARG A 44 -14.295 -4.312 1.129 1.00 34.43 N ATOM 690 CZ ARG A 44 -15.577 -4.659 0.900 1.00 45.44 C ATOM 691 NH1 ARG A 44 -16.216 -4.243 -0.190 1.00 52.04 N ATOM 692 NH2 ARG A 44 -16.205 -5.439 1.767 1.00 21.33 N ATOM 0 H ARG A 44 -9.867 -2.066 1.929 1.00 13.11 H new ATOM 0 HA ARG A 44 -10.540 0.254 0.439 1.00 11.11 H new ATOM 0 HB2 ARG A 44 -12.388 -1.036 -0.441 1.00 74.11 H new ATOM 0 HB3 ARG A 44 -10.994 -2.092 -0.318 1.00 74.11 H new ATOM 0 HG2 ARG A 44 -11.889 -3.155 1.687 1.00 40.34 H new ATOM 0 HG3 ARG A 44 -13.199 -1.995 1.778 1.00 40.34 H new ATOM 0 HD2 ARG A 44 -14.075 -2.890 -0.424 1.00 52.42 H new ATOM 0 HD3 ARG A 44 -12.823 -4.116 -0.380 1.00 52.42 H new ATOM 0 HE ARG A 44 -13.869 -4.655 1.990 1.00 34.43 H new ATOM 0 HH11 ARG A 44 -15.736 -3.652 -0.868 1.00 52.04 H new ATOM 0 HH12 ARG A 44 -17.186 -4.515 -0.347 1.00 52.04 H new ATOM 0 HH21 ARG A 44 -15.718 -5.772 2.599 1.00 21.33 H new ATOM 0 HH22 ARG A 44 -17.175 -5.707 1.602 1.00 21.33 H new ATOM 706 N GLU A 45 -12.164 -0.170 3.291 1.00 32.14 N ATOM 707 CA GLU A 45 -13.059 0.479 4.278 1.00 74.43 C ATOM 708 C GLU A 45 -12.573 1.912 4.572 1.00 40.44 C ATOM 709 O GLU A 45 -13.334 2.882 4.473 1.00 22.33 O ATOM 710 CB GLU A 45 -13.101 -0.329 5.608 1.00 33.10 C ATOM 711 CG GLU A 45 -13.490 -1.817 5.474 1.00 34.21 C ATOM 712 CD GLU A 45 -14.903 -2.074 4.929 1.00 71.35 C ATOM 713 OE1 GLU A 45 -15.065 -2.341 3.714 1.00 4.54 O ATOM 714 OE2 GLU A 45 -15.864 -2.020 5.725 1.00 73.12 O ATOM 0 H GLU A 45 -11.684 -0.994 3.652 1.00 32.14 H new ATOM 0 HA GLU A 45 -14.062 0.510 3.852 1.00 74.43 H new ATOM 0 HB2 GLU A 45 -12.120 -0.270 6.079 1.00 33.10 H new ATOM 0 HB3 GLU A 45 -13.808 0.153 6.283 1.00 33.10 H new ATOM 0 HG2 GLU A 45 -12.770 -2.307 4.819 1.00 34.21 H new ATOM 0 HG3 GLU A 45 -13.403 -2.289 6.453 1.00 34.21 H new ATOM 721 N HIS A 46 -11.271 2.013 4.913 1.00 71.23 N ATOM 722 CA HIS A 46 -10.606 3.291 5.240 1.00 61.22 C ATOM 723 C HIS A 46 -10.383 4.142 3.980 1.00 62.10 C ATOM 724 O HIS A 46 -10.287 5.363 4.063 1.00 63.15 O ATOM 725 CB HIS A 46 -9.258 3.028 5.959 1.00 3.24 C ATOM 726 CG HIS A 46 -9.401 2.323 7.283 1.00 54.53 C ATOM 727 ND1 HIS A 46 -8.905 1.062 7.533 1.00 61.22 N ATOM 728 CD2 HIS A 46 -9.995 2.716 8.433 1.00 13.31 C ATOM 729 CE1 HIS A 46 -9.195 0.714 8.768 1.00 13.54 C ATOM 730 NE2 HIS A 46 -9.855 1.700 9.333 1.00 23.23 N ATOM 0 H HIS A 46 -10.649 1.206 4.969 1.00 71.23 H new ATOM 0 HA HIS A 46 -11.261 3.849 5.910 1.00 61.22 H new ATOM 0 HB2 HIS A 46 -8.620 2.431 5.307 1.00 3.24 H new ATOM 0 HB3 HIS A 46 -8.750 3.979 6.118 1.00 3.24 H new ATOM 0 HD1 HIS A 46 -8.392 0.487 6.864 1.00 61.22 H new ATOM 0 HD2 HIS A 46 -10.489 3.660 8.607 1.00 13.31 H new ATOM 0 HE1 HIS A 46 -8.935 -0.223 9.238 1.00 13.54 H new ATOM 739 N ALA A 47 -10.323 3.470 2.822 1.00 50.40 N ATOM 740 CA ALA A 47 -10.102 4.099 1.514 1.00 74.43 C ATOM 741 C ALA A 47 -11.270 5.008 1.142 1.00 15.13 C ATOM 742 O ALA A 47 -11.071 6.091 0.594 1.00 41.13 O ATOM 743 CB ALA A 47 -9.912 3.019 0.450 1.00 61.14 C ATOM 0 H ALA A 47 -10.429 2.457 2.768 1.00 50.40 H new ATOM 0 HA ALA A 47 -9.203 4.712 1.570 1.00 74.43 H new ATOM 0 HB1 ALA A 47 -9.748 3.489 -0.520 1.00 61.14 H new ATOM 0 HB2 ALA A 47 -9.049 2.404 0.706 1.00 61.14 H new ATOM 0 HB3 ALA A 47 -10.803 2.393 0.404 1.00 61.14 H new ATOM 749 N ARG A 48 -12.494 4.535 1.455 1.00 4.15 N ATOM 750 CA ARG A 48 -13.732 5.313 1.277 1.00 30.13 C ATOM 751 C ARG A 48 -13.712 6.582 2.151 1.00 23.05 C ATOM 752 O ARG A 48 -14.230 7.630 1.756 1.00 52.21 O ATOM 753 CB ARG A 48 -14.970 4.455 1.642 1.00 21.11 C ATOM 754 CG ARG A 48 -15.144 3.182 0.790 1.00 5.13 C ATOM 755 CD ARG A 48 -16.401 2.385 1.173 1.00 52.43 C ATOM 756 NE ARG A 48 -17.646 3.169 0.995 1.00 50.13 N ATOM 757 CZ ARG A 48 -18.831 2.885 1.571 1.00 63.11 C ATOM 758 NH1 ARG A 48 -18.970 1.832 2.375 1.00 61.15 N ATOM 759 NH2 ARG A 48 -19.875 3.666 1.342 1.00 31.34 N ATOM 0 H ARG A 48 -12.649 3.603 1.838 1.00 4.15 H new ATOM 0 HA ARG A 48 -13.794 5.606 0.229 1.00 30.13 H new ATOM 0 HB2 ARG A 48 -14.899 4.167 2.691 1.00 21.11 H new ATOM 0 HB3 ARG A 48 -15.864 5.070 1.540 1.00 21.11 H new ATOM 0 HG2 ARG A 48 -15.200 3.458 -0.263 1.00 5.13 H new ATOM 0 HG3 ARG A 48 -14.266 2.547 0.907 1.00 5.13 H new ATOM 0 HD2 ARG A 48 -16.454 1.482 0.565 1.00 52.43 H new ATOM 0 HD3 ARG A 48 -16.322 2.065 2.212 1.00 52.43 H new ATOM 0 HE ARG A 48 -17.603 3.988 0.389 1.00 50.13 H new ATOM 0 HH11 ARG A 48 -18.172 1.225 2.563 1.00 61.15 H new ATOM 0 HH12 ARG A 48 -19.874 1.632 2.802 1.00 61.15 H new ATOM 0 HH21 ARG A 48 -19.780 4.478 0.732 1.00 31.34 H new ATOM 0 HH22 ARG A 48 -20.774 3.456 1.775 1.00 31.34 H new ATOM 773 N GLU A 49 -13.102 6.459 3.345 1.00 45.15 N ATOM 774 CA GLU A 49 -13.025 7.542 4.339 1.00 25.50 C ATOM 775 C GLU A 49 -12.001 8.609 3.917 1.00 14.42 C ATOM 776 O GLU A 49 -12.250 9.800 4.086 1.00 10.25 O ATOM 777 CB GLU A 49 -12.672 6.956 5.732 1.00 3.55 C ATOM 778 CG GLU A 49 -13.660 5.880 6.221 1.00 72.23 C ATOM 779 CD GLU A 49 -13.339 5.356 7.628 1.00 55.40 C ATOM 780 OE1 GLU A 49 -12.763 4.258 7.761 1.00 54.15 O ATOM 781 OE2 GLU A 49 -13.644 6.063 8.613 1.00 11.24 O ATOM 0 H GLU A 49 -12.646 5.598 3.647 1.00 45.15 H new ATOM 0 HA GLU A 49 -13.999 8.028 4.399 1.00 25.50 H new ATOM 0 HB2 GLU A 49 -11.671 6.526 5.692 1.00 3.55 H new ATOM 0 HB3 GLU A 49 -12.642 7.767 6.460 1.00 3.55 H new ATOM 0 HG2 GLU A 49 -14.669 6.293 6.216 1.00 72.23 H new ATOM 0 HG3 GLU A 49 -13.654 5.045 5.520 1.00 72.23 H new ATOM 788 N LEU A 50 -10.862 8.161 3.347 1.00 72.45 N ATOM 789 CA LEU A 50 -9.779 9.053 2.866 1.00 13.12 C ATOM 790 C LEU A 50 -10.189 9.746 1.550 1.00 24.14 C ATOM 791 O LEU A 50 -9.764 10.876 1.263 1.00 2.23 O ATOM 792 CB LEU A 50 -8.460 8.248 2.686 1.00 10.13 C ATOM 793 CG LEU A 50 -7.936 7.510 3.962 1.00 42.34 C ATOM 794 CD1 LEU A 50 -6.674 6.689 3.660 1.00 15.24 C ATOM 795 CD2 LEU A 50 -7.697 8.489 5.133 1.00 45.01 C ATOM 0 H LEU A 50 -10.665 7.170 3.206 1.00 72.45 H new ATOM 0 HA LEU A 50 -9.607 9.829 3.612 1.00 13.12 H new ATOM 0 HB2 LEU A 50 -8.611 7.510 1.898 1.00 10.13 H new ATOM 0 HB3 LEU A 50 -7.684 8.930 2.339 1.00 10.13 H new ATOM 0 HG LEU A 50 -8.717 6.815 4.272 1.00 42.34 H new ATOM 0 HD11 LEU A 50 -6.338 6.190 4.569 1.00 15.24 H new ATOM 0 HD12 LEU A 50 -6.899 5.942 2.898 1.00 15.24 H new ATOM 0 HD13 LEU A 50 -5.887 7.351 3.298 1.00 15.24 H new ATOM 0 HD21 LEU A 50 -7.334 7.937 6.000 1.00 45.01 H new ATOM 0 HD22 LEU A 50 -6.956 9.233 4.840 1.00 45.01 H new ATOM 0 HD23 LEU A 50 -8.632 8.988 5.386 1.00 45.01 H new ATOM 807 N GLN A 51 -11.031 9.050 0.765 1.00 2.35 N ATOM 808 CA GLN A 51 -11.660 9.596 -0.450 1.00 3.20 C ATOM 809 C GLN A 51 -12.700 10.672 -0.066 1.00 61.34 C ATOM 810 O GLN A 51 -12.815 11.712 -0.728 1.00 24.03 O ATOM 811 CB GLN A 51 -12.335 8.445 -1.242 1.00 31.41 C ATOM 812 CG GLN A 51 -13.043 8.864 -2.545 1.00 61.22 C ATOM 813 CD GLN A 51 -13.797 7.708 -3.201 1.00 72.30 C ATOM 814 OE1 GLN A 51 -14.974 7.484 -2.920 1.00 0.44 O ATOM 815 NE2 GLN A 51 -13.130 6.967 -4.072 1.00 12.10 N ATOM 0 H GLN A 51 -11.296 8.084 0.958 1.00 2.35 H new ATOM 0 HA GLN A 51 -10.900 10.060 -1.078 1.00 3.20 H new ATOM 0 HB2 GLN A 51 -11.577 7.700 -1.484 1.00 31.41 H new ATOM 0 HB3 GLN A 51 -13.063 7.959 -0.593 1.00 31.41 H new ATOM 0 HG2 GLN A 51 -13.741 9.673 -2.331 1.00 61.22 H new ATOM 0 HG3 GLN A 51 -12.305 9.256 -3.245 1.00 61.22 H new ATOM 0 HE21 GLN A 51 -12.155 7.180 -4.282 1.00 12.10 H new ATOM 0 HE22 GLN A 51 -13.591 6.183 -4.533 1.00 12.10 H new ATOM 824 N LYS A 52 -13.436 10.403 1.032 1.00 32.22 N ATOM 825 CA LYS A 52 -14.465 11.318 1.578 1.00 32.52 C ATOM 826 C LYS A 52 -13.809 12.511 2.309 1.00 21.23 C ATOM 827 O LYS A 52 -14.416 13.581 2.451 1.00 60.25 O ATOM 828 CB LYS A 52 -15.406 10.528 2.522 1.00 55.52 C ATOM 829 CG LYS A 52 -16.652 11.298 3.023 1.00 53.32 C ATOM 830 CD LYS A 52 -17.577 10.464 3.955 1.00 73.20 C ATOM 831 CE LYS A 52 -17.028 10.253 5.385 1.00 64.11 C ATOM 832 NZ LYS A 52 -15.764 9.468 5.429 1.00 0.30 N ATOM 0 H LYS A 52 -13.334 9.542 1.569 1.00 32.22 H new ATOM 0 HA LYS A 52 -15.054 11.727 0.757 1.00 32.52 H new ATOM 0 HB2 LYS A 52 -15.741 9.630 2.003 1.00 55.52 H new ATOM 0 HB3 LYS A 52 -14.831 10.201 3.388 1.00 55.52 H new ATOM 0 HG2 LYS A 52 -16.325 12.191 3.556 1.00 53.32 H new ATOM 0 HG3 LYS A 52 -17.229 11.635 2.162 1.00 53.32 H new ATOM 0 HD2 LYS A 52 -18.546 10.959 4.021 1.00 73.20 H new ATOM 0 HD3 LYS A 52 -17.748 9.489 3.498 1.00 73.20 H new ATOM 0 HE2 LYS A 52 -16.858 11.226 5.847 1.00 64.11 H new ATOM 0 HE3 LYS A 52 -17.783 9.743 5.983 1.00 64.11 H new ATOM 0 HZ1 LYS A 52 -15.706 8.953 6.331 1.00 0.30 H new ATOM 0 HZ2 LYS A 52 -15.749 8.789 4.641 1.00 0.30 H new ATOM 0 HZ3 LYS A 52 -14.952 10.113 5.346 1.00 0.30 H new ATOM 846 N GLN A 53 -12.565 12.302 2.785 1.00 73.01 N ATOM 847 CA GLN A 53 -11.696 13.389 3.270 1.00 54.12 C ATOM 848 C GLN A 53 -11.288 14.280 2.090 1.00 13.11 C ATOM 849 O GLN A 53 -11.180 15.497 2.232 1.00 74.25 O ATOM 850 CB GLN A 53 -10.426 12.817 3.969 1.00 22.33 C ATOM 851 CG GLN A 53 -10.628 12.287 5.402 1.00 30.24 C ATOM 852 CD GLN A 53 -10.926 13.404 6.406 1.00 5.32 C ATOM 853 OE1 GLN A 53 -12.080 13.758 6.642 1.00 43.21 O ATOM 854 NE2 GLN A 53 -9.879 13.978 6.985 1.00 54.23 N ATOM 0 H GLN A 53 -12.137 11.378 2.843 1.00 73.01 H new ATOM 0 HA GLN A 53 -12.249 13.978 4.001 1.00 54.12 H new ATOM 0 HB2 GLN A 53 -10.030 12.008 3.355 1.00 22.33 H new ATOM 0 HB3 GLN A 53 -9.666 13.598 3.995 1.00 22.33 H new ATOM 0 HG2 GLN A 53 -11.449 11.570 5.408 1.00 30.24 H new ATOM 0 HG3 GLN A 53 -9.733 11.750 5.716 1.00 30.24 H new ATOM 0 HE21 GLN A 53 -8.936 13.658 6.765 1.00 54.23 H new ATOM 0 HE22 GLN A 53 -10.018 14.739 7.650 1.00 54.23 H new ATOM 863 N GLY A 54 -11.072 13.640 0.929 1.00 62.24 N ATOM 864 CA GLY A 54 -10.634 14.326 -0.283 1.00 43.41 C ATOM 865 C GLY A 54 -9.132 14.531 -0.308 1.00 53.05 C ATOM 866 O GLY A 54 -8.645 15.508 -0.892 1.00 53.12 O ATOM 0 H GLY A 54 -11.198 12.635 0.811 1.00 62.24 H new ATOM 0 HA2 GLY A 54 -10.936 13.747 -1.156 1.00 43.41 H new ATOM 0 HA3 GLY A 54 -11.133 15.292 -0.353 1.00 43.41 H new ATOM 870 N ILE A 55 -8.399 13.595 0.331 1.00 74.31 N ATOM 871 CA ILE A 55 -6.931 13.623 0.385 1.00 31.51 C ATOM 872 C ILE A 55 -6.373 13.341 -1.014 1.00 3.54 C ATOM 873 O ILE A 55 -6.356 12.188 -1.464 1.00 44.24 O ATOM 874 CB ILE A 55 -6.353 12.574 1.418 1.00 1.15 C ATOM 875 CG1 ILE A 55 -6.937 12.831 2.841 1.00 42.13 C ATOM 876 CG2 ILE A 55 -4.800 12.605 1.443 1.00 31.04 C ATOM 877 CD1 ILE A 55 -6.544 11.815 3.905 1.00 64.24 C ATOM 0 H ILE A 55 -8.812 12.802 0.822 1.00 74.31 H new ATOM 0 HA ILE A 55 -6.623 14.612 0.724 1.00 31.51 H new ATOM 0 HB ILE A 55 -6.658 11.579 1.095 1.00 1.15 H new ATOM 0 HG12 ILE A 55 -6.618 13.819 3.172 1.00 42.13 H new ATOM 0 HG13 ILE A 55 -8.024 12.854 2.770 1.00 42.13 H new ATOM 0 HG21 ILE A 55 -4.433 11.873 2.163 1.00 31.04 H new ATOM 0 HG22 ILE A 55 -4.415 12.364 0.452 1.00 31.04 H new ATOM 0 HG23 ILE A 55 -4.461 13.600 1.732 1.00 31.04 H new ATOM 0 HD11 ILE A 55 -7.003 12.087 4.855 1.00 64.24 H new ATOM 0 HD12 ILE A 55 -6.887 10.824 3.607 1.00 64.24 H new ATOM 0 HD13 ILE A 55 -5.460 11.805 4.016 1.00 64.24 H new ATOM 889 N HIS A 56 -5.999 14.410 -1.729 1.00 71.43 N ATOM 890 CA HIS A 56 -5.330 14.281 -3.014 1.00 53.24 C ATOM 891 C HIS A 56 -3.838 14.087 -2.737 1.00 35.23 C ATOM 892 O HIS A 56 -3.168 15.001 -2.276 1.00 51.34 O ATOM 893 CB HIS A 56 -5.584 15.533 -3.895 1.00 44.11 C ATOM 894 CG HIS A 56 -5.095 15.384 -5.318 1.00 60.11 C ATOM 895 ND1 HIS A 56 -5.842 14.779 -6.303 1.00 53.44 N ATOM 896 CD2 HIS A 56 -3.928 15.733 -5.904 1.00 52.14 C ATOM 897 CE1 HIS A 56 -5.157 14.756 -7.425 1.00 31.14 C ATOM 898 NE2 HIS A 56 -3.990 15.332 -7.210 1.00 30.14 N ATOM 0 H HIS A 56 -6.153 15.373 -1.431 1.00 71.43 H new ATOM 0 HA HIS A 56 -5.721 13.426 -3.566 1.00 53.24 H new ATOM 0 HB2 HIS A 56 -6.653 15.747 -3.908 1.00 44.11 H new ATOM 0 HB3 HIS A 56 -5.093 16.393 -3.439 1.00 44.11 H new ATOM 0 HD2 HIS A 56 -3.099 16.236 -5.428 1.00 52.14 H new ATOM 0 HE1 HIS A 56 -5.492 14.337 -8.362 1.00 31.14 H new ATOM 0 HE2 HIS A 56 -3.254 15.458 -7.905 1.00 30.14 H new ATOM 907 N PHE A 57 -3.352 12.880 -2.991 1.00 34.54 N ATOM 908 CA PHE A 57 -1.927 12.539 -2.906 1.00 13.23 C ATOM 909 C PHE A 57 -1.413 12.275 -4.318 1.00 34.35 C ATOM 910 O PHE A 57 -2.208 12.037 -5.242 1.00 64.11 O ATOM 911 CB PHE A 57 -1.703 11.320 -1.964 1.00 20.11 C ATOM 912 CG PHE A 57 -2.606 10.115 -2.253 1.00 54.22 C ATOM 913 CD1 PHE A 57 -2.254 9.158 -3.208 1.00 60.45 C ATOM 914 CD2 PHE A 57 -3.815 9.950 -1.571 1.00 5.33 C ATOM 915 CE1 PHE A 57 -3.081 8.088 -3.476 1.00 33.34 C ATOM 916 CE2 PHE A 57 -4.639 8.876 -1.840 1.00 44.12 C ATOM 917 CZ PHE A 57 -4.270 7.945 -2.790 1.00 32.33 C ATOM 0 H PHE A 57 -3.940 12.094 -3.267 1.00 34.54 H new ATOM 0 HA PHE A 57 -1.366 13.367 -2.473 1.00 13.23 H new ATOM 0 HB2 PHE A 57 -0.663 11.004 -2.041 1.00 20.11 H new ATOM 0 HB3 PHE A 57 -1.864 11.639 -0.934 1.00 20.11 H new ATOM 0 HD1 PHE A 57 -1.321 9.258 -3.744 1.00 60.45 H new ATOM 0 HD2 PHE A 57 -4.108 10.673 -0.824 1.00 5.33 H new ATOM 0 HE1 PHE A 57 -2.798 7.361 -4.223 1.00 33.34 H new ATOM 0 HE2 PHE A 57 -5.572 8.764 -1.308 1.00 44.12 H new ATOM 0 HZ PHE A 57 -4.913 7.103 -2.997 1.00 32.33 H new ATOM 927 N GLU A 58 -0.094 12.327 -4.489 1.00 35.25 N ATOM 928 CA GLU A 58 0.546 12.126 -5.791 1.00 41.42 C ATOM 929 C GLU A 58 1.847 11.346 -5.560 1.00 4.45 C ATOM 930 O GLU A 58 2.770 11.855 -4.923 1.00 3.21 O ATOM 931 CB GLU A 58 0.783 13.512 -6.486 1.00 73.20 C ATOM 932 CG GLU A 58 0.686 13.500 -8.032 1.00 61.10 C ATOM 933 CD GLU A 58 1.885 12.859 -8.747 1.00 13.23 C ATOM 934 OE1 GLU A 58 2.809 13.597 -9.147 1.00 14.40 O ATOM 935 OE2 GLU A 58 1.912 11.621 -8.925 1.00 72.54 O ATOM 0 H GLU A 58 0.563 12.509 -3.730 1.00 35.25 H new ATOM 0 HA GLU A 58 -0.088 11.548 -6.464 1.00 41.42 H new ATOM 0 HB2 GLU A 58 0.055 14.224 -6.098 1.00 73.20 H new ATOM 0 HB3 GLU A 58 1.770 13.878 -6.203 1.00 73.20 H new ATOM 0 HG2 GLU A 58 -0.219 12.966 -8.321 1.00 61.10 H new ATOM 0 HG3 GLU A 58 0.577 14.526 -8.383 1.00 61.10 H new ATOM 942 N VAL A 59 1.881 10.099 -6.062 1.00 63.14 N ATOM 943 CA VAL A 59 3.002 9.159 -5.868 1.00 21.21 C ATOM 944 C VAL A 59 4.234 9.630 -6.667 1.00 43.43 C ATOM 945 O VAL A 59 4.246 9.563 -7.902 1.00 13.51 O ATOM 946 CB VAL A 59 2.599 7.697 -6.310 1.00 31.03 C ATOM 947 CG1 VAL A 59 3.747 6.691 -6.065 1.00 44.41 C ATOM 948 CG2 VAL A 59 1.295 7.235 -5.608 1.00 51.23 C ATOM 0 H VAL A 59 1.122 9.710 -6.621 1.00 63.14 H new ATOM 0 HA VAL A 59 3.249 9.140 -4.806 1.00 21.21 H new ATOM 0 HB VAL A 59 2.410 7.725 -7.383 1.00 31.03 H new ATOM 0 HG11 VAL A 59 3.433 5.696 -6.381 1.00 44.41 H new ATOM 0 HG12 VAL A 59 4.624 6.993 -6.637 1.00 44.41 H new ATOM 0 HG13 VAL A 59 3.995 6.673 -5.004 1.00 44.41 H new ATOM 0 HG21 VAL A 59 1.045 6.225 -5.933 1.00 51.23 H new ATOM 0 HG22 VAL A 59 1.441 7.242 -4.528 1.00 51.23 H new ATOM 0 HG23 VAL A 59 0.482 7.912 -5.869 1.00 51.23 H new ATOM 958 N LYS A 60 5.257 10.117 -5.950 1.00 44.51 N ATOM 959 CA LYS A 60 6.460 10.711 -6.562 1.00 31.11 C ATOM 960 C LYS A 60 7.553 9.655 -6.775 1.00 12.35 C ATOM 961 O LYS A 60 8.100 9.518 -7.874 1.00 72.35 O ATOM 962 CB LYS A 60 7.006 11.866 -5.670 1.00 23.41 C ATOM 963 CG LYS A 60 5.964 12.949 -5.291 1.00 42.11 C ATOM 964 CD LYS A 60 5.207 13.524 -6.515 1.00 45.42 C ATOM 965 CE LYS A 60 6.139 14.143 -7.570 1.00 45.30 C ATOM 966 NZ LYS A 60 5.382 14.666 -8.733 1.00 42.13 N ATOM 0 H LYS A 60 5.276 10.111 -4.930 1.00 44.51 H new ATOM 0 HA LYS A 60 6.177 11.112 -7.535 1.00 31.11 H new ATOM 0 HB2 LYS A 60 7.411 11.437 -4.754 1.00 23.41 H new ATOM 0 HB3 LYS A 60 7.834 12.347 -6.191 1.00 23.41 H new ATOM 0 HG2 LYS A 60 5.243 12.522 -4.594 1.00 42.11 H new ATOM 0 HG3 LYS A 60 6.468 13.762 -4.769 1.00 42.11 H new ATOM 0 HD2 LYS A 60 4.622 12.729 -6.978 1.00 45.42 H new ATOM 0 HD3 LYS A 60 4.501 14.282 -6.174 1.00 45.42 H new ATOM 0 HE2 LYS A 60 6.715 14.951 -7.118 1.00 45.30 H new ATOM 0 HE3 LYS A 60 6.854 13.393 -7.909 1.00 45.30 H new ATOM 0 HZ1 LYS A 60 5.914 14.478 -9.607 1.00 42.13 H new ATOM 0 HZ2 LYS A 60 4.456 14.196 -8.784 1.00 42.13 H new ATOM 0 HZ3 LYS A 60 5.245 15.691 -8.625 1.00 42.13 H new ATOM 980 N ARG A 61 7.848 8.912 -5.706 1.00 33.14 N ATOM 981 CA ARG A 61 8.967 7.955 -5.653 1.00 62.41 C ATOM 982 C ARG A 61 8.494 6.670 -4.962 1.00 44.55 C ATOM 983 O ARG A 61 7.836 6.743 -3.939 1.00 11.23 O ATOM 984 CB ARG A 61 10.147 8.604 -4.869 1.00 40.52 C ATOM 985 CG ARG A 61 11.352 7.678 -4.583 1.00 4.22 C ATOM 986 CD ARG A 61 12.133 7.274 -5.847 1.00 53.31 C ATOM 987 NE ARG A 61 12.808 8.423 -6.485 1.00 74.52 N ATOM 988 CZ ARG A 61 14.031 8.891 -6.151 1.00 31.30 C ATOM 989 NH1 ARG A 61 14.742 8.326 -5.173 1.00 43.13 N ATOM 990 NH2 ARG A 61 14.534 9.934 -6.792 1.00 51.43 N ATOM 0 H ARG A 61 7.312 8.955 -4.839 1.00 33.14 H new ATOM 0 HA ARG A 61 9.307 7.705 -6.658 1.00 62.41 H new ATOM 0 HB2 ARG A 61 10.501 9.468 -5.432 1.00 40.52 H new ATOM 0 HB3 ARG A 61 9.766 8.977 -3.919 1.00 40.52 H new ATOM 0 HG2 ARG A 61 12.030 8.180 -3.893 1.00 4.22 H new ATOM 0 HG3 ARG A 61 10.997 6.777 -4.082 1.00 4.22 H new ATOM 0 HD2 ARG A 61 12.875 6.519 -5.586 1.00 53.31 H new ATOM 0 HD3 ARG A 61 11.450 6.815 -6.562 1.00 53.31 H new ATOM 0 HE ARG A 61 12.312 8.901 -7.237 1.00 74.52 H new ATOM 0 HH11 ARG A 61 14.364 7.527 -4.664 1.00 43.13 H new ATOM 0 HH12 ARG A 61 15.663 8.693 -4.935 1.00 43.13 H new ATOM 0 HH21 ARG A 61 13.999 10.382 -7.536 1.00 51.43 H new ATOM 0 HH22 ARG A 61 15.457 10.290 -6.542 1.00 51.43 H new ATOM 1004 N VAL A 62 8.831 5.505 -5.537 1.00 12.31 N ATOM 1005 CA VAL A 62 8.570 4.175 -4.940 1.00 34.12 C ATOM 1006 C VAL A 62 9.900 3.417 -4.885 1.00 10.33 C ATOM 1007 O VAL A 62 10.522 3.192 -5.925 1.00 65.41 O ATOM 1008 CB VAL A 62 7.525 3.329 -5.771 1.00 74.03 C ATOM 1009 CG1 VAL A 62 7.282 1.932 -5.139 1.00 25.32 C ATOM 1010 CG2 VAL A 62 6.192 4.086 -5.931 1.00 42.51 C ATOM 0 H VAL A 62 9.299 5.454 -6.442 1.00 12.31 H new ATOM 0 HA VAL A 62 8.144 4.322 -3.948 1.00 34.12 H new ATOM 0 HB VAL A 62 7.955 3.178 -6.761 1.00 74.03 H new ATOM 0 HG11 VAL A 62 6.558 1.382 -5.740 1.00 25.32 H new ATOM 0 HG12 VAL A 62 8.221 1.379 -5.106 1.00 25.32 H new ATOM 0 HG13 VAL A 62 6.897 2.053 -4.127 1.00 25.32 H new ATOM 0 HG21 VAL A 62 5.495 3.477 -6.507 1.00 42.51 H new ATOM 0 HG22 VAL A 62 5.769 4.290 -4.947 1.00 42.51 H new ATOM 0 HG23 VAL A 62 6.368 5.027 -6.452 1.00 42.51 H new ATOM 1020 N GLU A 63 10.348 3.061 -3.672 1.00 42.24 N ATOM 1021 CA GLU A 63 11.580 2.282 -3.456 1.00 44.04 C ATOM 1022 C GLU A 63 11.261 1.094 -2.551 1.00 24.14 C ATOM 1023 O GLU A 63 11.031 1.266 -1.357 1.00 22.21 O ATOM 1024 CB GLU A 63 12.683 3.179 -2.824 1.00 3.40 C ATOM 1025 CG GLU A 63 13.190 4.295 -3.752 1.00 23.12 C ATOM 1026 CD GLU A 63 14.281 5.178 -3.126 1.00 61.31 C ATOM 1027 OE1 GLU A 63 15.351 4.648 -2.767 1.00 73.24 O ATOM 1028 OE2 GLU A 63 14.091 6.403 -3.022 1.00 32.52 O ATOM 0 H GLU A 63 9.865 3.306 -2.808 1.00 42.24 H new ATOM 0 HA GLU A 63 11.957 1.915 -4.411 1.00 44.04 H new ATOM 0 HB2 GLU A 63 12.292 3.629 -1.912 1.00 3.40 H new ATOM 0 HB3 GLU A 63 13.525 2.551 -2.534 1.00 3.40 H new ATOM 0 HG2 GLU A 63 13.580 3.845 -4.665 1.00 23.12 H new ATOM 0 HG3 GLU A 63 12.348 4.924 -4.041 1.00 23.12 H new ATOM 1035 N VAL A 64 11.239 -0.113 -3.131 1.00 21.14 N ATOM 1036 CA VAL A 64 10.980 -1.354 -2.387 1.00 60.44 C ATOM 1037 C VAL A 64 12.302 -2.116 -2.168 1.00 45.02 C ATOM 1038 O VAL A 64 13.118 -2.254 -3.088 1.00 43.23 O ATOM 1039 CB VAL A 64 9.899 -2.247 -3.108 1.00 33.11 C ATOM 1040 CG1 VAL A 64 10.298 -2.612 -4.558 1.00 52.31 C ATOM 1041 CG2 VAL A 64 9.576 -3.508 -2.277 1.00 61.03 C ATOM 0 H VAL A 64 11.400 -0.257 -4.128 1.00 21.14 H new ATOM 0 HA VAL A 64 10.567 -1.097 -1.412 1.00 60.44 H new ATOM 0 HB VAL A 64 8.992 -1.647 -3.180 1.00 33.11 H new ATOM 0 HG11 VAL A 64 9.518 -3.227 -5.006 1.00 52.31 H new ATOM 0 HG12 VAL A 64 10.421 -1.700 -5.142 1.00 52.31 H new ATOM 0 HG13 VAL A 64 11.237 -3.166 -4.549 1.00 52.31 H new ATOM 0 HG21 VAL A 64 8.828 -4.105 -2.798 1.00 61.03 H new ATOM 0 HG22 VAL A 64 10.483 -4.098 -2.144 1.00 61.03 H new ATOM 0 HG23 VAL A 64 9.189 -3.212 -1.302 1.00 61.03 H new ATOM 1051 N THR A 65 12.499 -2.593 -0.937 1.00 22.12 N ATOM 1052 CA THR A 65 13.743 -3.236 -0.492 1.00 20.12 C ATOM 1053 C THR A 65 13.411 -4.281 0.587 1.00 32.43 C ATOM 1054 O THR A 65 12.299 -4.295 1.120 1.00 13.24 O ATOM 1055 CB THR A 65 14.750 -2.167 0.072 1.00 25.01 C ATOM 1056 OG1 THR A 65 15.999 -2.789 0.440 1.00 65.24 O ATOM 1057 CG2 THR A 65 14.174 -1.403 1.287 1.00 15.44 C ATOM 0 H THR A 65 11.788 -2.544 -0.207 1.00 22.12 H new ATOM 0 HA THR A 65 14.217 -3.727 -1.342 1.00 20.12 H new ATOM 0 HB THR A 65 14.922 -1.445 -0.727 1.00 25.01 H new ATOM 0 HG1 THR A 65 16.613 -2.109 0.787 1.00 65.24 H new ATOM 0 HG21 THR A 65 14.906 -0.677 1.640 1.00 15.44 H new ATOM 0 HG22 THR A 65 13.262 -0.885 0.992 1.00 15.44 H new ATOM 0 HG23 THR A 65 13.948 -2.108 2.087 1.00 15.44 H new ATOM 1065 N THR A 66 14.371 -5.156 0.902 1.00 23.25 N ATOM 1066 CA THR A 66 14.216 -6.162 1.958 1.00 71.44 C ATOM 1067 C THR A 66 14.841 -5.661 3.266 1.00 41.25 C ATOM 1068 O THR A 66 15.782 -4.853 3.263 1.00 31.04 O ATOM 1069 CB THR A 66 14.840 -7.535 1.536 1.00 51.12 C ATOM 1070 OG1 THR A 66 16.180 -7.338 1.057 1.00 73.20 O ATOM 1071 CG2 THR A 66 13.999 -8.222 0.448 1.00 64.51 C ATOM 0 H THR A 66 15.276 -5.187 0.433 1.00 23.25 H new ATOM 0 HA THR A 66 13.150 -6.321 2.118 1.00 71.44 H new ATOM 0 HB THR A 66 14.855 -8.180 2.414 1.00 51.12 H new ATOM 0 HG1 THR A 66 16.564 -8.201 0.797 1.00 73.20 H new ATOM 0 HG21 THR A 66 14.460 -9.172 0.178 1.00 64.51 H new ATOM 0 HG22 THR A 66 12.992 -8.401 0.825 1.00 64.51 H new ATOM 0 HG23 THR A 66 13.948 -7.580 -0.432 1.00 64.51 H new ATOM 1079 N ASP A 67 14.285 -6.155 4.367 1.00 3.15 N ATOM 1080 CA ASP A 67 14.702 -5.845 5.733 1.00 63.43 C ATOM 1081 C ASP A 67 14.571 -7.153 6.538 1.00 31.42 C ATOM 1082 O ASP A 67 13.536 -7.438 7.169 1.00 53.05 O ATOM 1083 CB ASP A 67 13.831 -4.673 6.284 1.00 0.22 C ATOM 1084 CG ASP A 67 13.864 -4.507 7.806 1.00 1.04 C ATOM 1085 OD1 ASP A 67 12.801 -4.652 8.461 1.00 34.21 O ATOM 1086 OD2 ASP A 67 14.950 -4.252 8.358 1.00 65.24 O ATOM 0 H ASP A 67 13.502 -6.807 4.333 1.00 3.15 H new ATOM 0 HA ASP A 67 15.734 -5.501 5.799 1.00 63.43 H new ATOM 0 HB2 ASP A 67 14.166 -3.743 5.824 1.00 0.22 H new ATOM 0 HB3 ASP A 67 12.798 -4.829 5.972 1.00 0.22 H new ATOM 1091 N GLY A 68 15.622 -7.986 6.424 1.00 43.35 N ATOM 1092 CA GLY A 68 15.587 -9.363 6.905 1.00 4.13 C ATOM 1093 C GLY A 68 14.592 -10.203 6.113 1.00 33.13 C ATOM 1094 O GLY A 68 14.768 -10.396 4.905 1.00 33.34 O ATOM 0 H GLY A 68 16.509 -7.718 5.998 1.00 43.35 H new ATOM 0 HA2 GLY A 68 16.581 -9.803 6.826 1.00 4.13 H new ATOM 0 HA3 GLY A 68 15.316 -9.375 7.961 1.00 4.13 H new ATOM 1098 N ASN A 69 13.532 -10.674 6.786 1.00 50.02 N ATOM 1099 CA ASN A 69 12.434 -11.427 6.140 1.00 52.21 C ATOM 1100 C ASN A 69 11.256 -10.489 5.794 1.00 52.42 C ATOM 1101 O ASN A 69 10.394 -10.842 4.992 1.00 25.41 O ATOM 1102 CB ASN A 69 11.937 -12.559 7.082 1.00 24.14 C ATOM 1103 CG ASN A 69 13.047 -13.505 7.544 1.00 42.50 C ATOM 1104 OD1 ASN A 69 13.700 -13.271 8.561 1.00 61.44 O ATOM 1105 ND2 ASN A 69 13.276 -14.574 6.802 1.00 73.31 N ATOM 0 H ASN A 69 13.407 -10.547 7.790 1.00 50.02 H new ATOM 0 HA ASN A 69 12.817 -11.864 5.218 1.00 52.21 H new ATOM 0 HB2 ASN A 69 11.466 -12.111 7.957 1.00 24.14 H new ATOM 0 HB3 ASN A 69 11.169 -13.137 6.567 1.00 24.14 H new ATOM 0 HD21 ASN A 69 14.010 -15.231 7.067 1.00 73.31 H new ATOM 0 HD22 ASN A 69 12.719 -14.742 5.964 1.00 73.31 H new ATOM 1112 N THR A 70 11.259 -9.280 6.374 1.00 11.51 N ATOM 1113 CA THR A 70 10.169 -8.300 6.222 1.00 70.55 C ATOM 1114 C THR A 70 10.526 -7.298 5.112 1.00 2.24 C ATOM 1115 O THR A 70 11.548 -6.626 5.192 1.00 24.11 O ATOM 1116 CB THR A 70 9.935 -7.554 7.576 1.00 61.54 C ATOM 1117 OG1 THR A 70 9.668 -8.517 8.610 1.00 13.03 O ATOM 1118 CG2 THR A 70 8.775 -6.544 7.508 1.00 2.13 C ATOM 0 H THR A 70 12.022 -8.951 6.966 1.00 11.51 H new ATOM 0 HA THR A 70 9.251 -8.818 5.946 1.00 70.55 H new ATOM 0 HB THR A 70 10.842 -6.990 7.795 1.00 61.54 H new ATOM 0 HG1 THR A 70 9.523 -8.052 9.460 1.00 13.03 H new ATOM 0 HG21 THR A 70 8.659 -6.057 8.476 1.00 2.13 H new ATOM 0 HG22 THR A 70 8.990 -5.793 6.748 1.00 2.13 H new ATOM 0 HG23 THR A 70 7.853 -7.066 7.252 1.00 2.13 H new ATOM 1126 N VAL A 71 9.686 -7.208 4.080 1.00 55.31 N ATOM 1127 CA VAL A 71 9.933 -6.326 2.926 1.00 73.21 C ATOM 1128 C VAL A 71 9.328 -4.923 3.186 1.00 45.51 C ATOM 1129 O VAL A 71 8.170 -4.796 3.567 1.00 62.43 O ATOM 1130 CB VAL A 71 9.373 -6.975 1.606 1.00 23.24 C ATOM 1131 CG1 VAL A 71 7.858 -7.227 1.677 1.00 22.32 C ATOM 1132 CG2 VAL A 71 9.766 -6.163 0.346 1.00 71.43 C ATOM 0 H VAL A 71 8.818 -7.739 4.015 1.00 55.31 H new ATOM 0 HA VAL A 71 11.008 -6.202 2.794 1.00 73.21 H new ATOM 0 HB VAL A 71 9.848 -7.952 1.515 1.00 23.24 H new ATOM 0 HG11 VAL A 71 7.520 -7.675 0.743 1.00 22.32 H new ATOM 0 HG12 VAL A 71 7.640 -7.903 2.504 1.00 22.32 H new ATOM 0 HG13 VAL A 71 7.339 -6.282 1.835 1.00 22.32 H new ATOM 0 HG21 VAL A 71 9.358 -6.648 -0.541 1.00 71.43 H new ATOM 0 HG22 VAL A 71 9.365 -5.153 0.424 1.00 71.43 H new ATOM 0 HG23 VAL A 71 10.852 -6.117 0.267 1.00 71.43 H new ATOM 1142 N ASN A 72 10.155 -3.875 3.042 1.00 70.44 N ATOM 1143 CA ASN A 72 9.750 -2.475 3.297 1.00 4.02 C ATOM 1144 C ASN A 72 9.620 -1.719 1.971 1.00 64.54 C ATOM 1145 O ASN A 72 10.531 -1.772 1.135 1.00 63.14 O ATOM 1146 CB ASN A 72 10.788 -1.754 4.204 1.00 34.54 C ATOM 1147 CG ASN A 72 10.864 -2.273 5.647 1.00 62.41 C ATOM 1148 OD1 ASN A 72 11.005 -1.482 6.575 1.00 53.51 O ATOM 1149 ND2 ASN A 72 10.826 -3.586 5.861 1.00 4.42 N ATOM 0 H ASN A 72 11.126 -3.970 2.745 1.00 70.44 H new ATOM 0 HA ASN A 72 8.787 -2.487 3.808 1.00 4.02 H new ATOM 0 HB2 ASN A 72 11.773 -1.849 3.748 1.00 34.54 H new ATOM 0 HB3 ASN A 72 10.549 -0.691 4.229 1.00 34.54 H new ATOM 0 HD21 ASN A 72 10.915 -3.951 6.809 1.00 4.42 H new ATOM 0 HD22 ASN A 72 10.708 -4.227 5.077 1.00 4.42 H new ATOM 1156 N VAL A 73 8.487 -1.015 1.779 1.00 50.13 N ATOM 1157 CA VAL A 73 8.279 -0.139 0.614 1.00 64.52 C ATOM 1158 C VAL A 73 8.239 1.317 1.086 1.00 12.21 C ATOM 1159 O VAL A 73 7.244 1.768 1.667 1.00 11.34 O ATOM 1160 CB VAL A 73 6.954 -0.469 -0.163 1.00 65.04 C ATOM 1161 CG1 VAL A 73 6.862 0.333 -1.489 1.00 23.54 C ATOM 1162 CG2 VAL A 73 6.834 -1.980 -0.417 1.00 35.33 C ATOM 0 H VAL A 73 7.697 -1.038 2.423 1.00 50.13 H new ATOM 0 HA VAL A 73 9.108 -0.305 -0.074 1.00 64.52 H new ATOM 0 HB VAL A 73 6.114 -0.164 0.461 1.00 65.04 H new ATOM 0 HG11 VAL A 73 5.934 0.082 -2.002 1.00 23.54 H new ATOM 0 HG12 VAL A 73 6.878 1.401 -1.270 1.00 23.54 H new ATOM 0 HG13 VAL A 73 7.709 0.080 -2.127 1.00 23.54 H new ATOM 0 HG21 VAL A 73 5.909 -2.186 -0.956 1.00 35.33 H new ATOM 0 HG22 VAL A 73 7.683 -2.318 -1.011 1.00 35.33 H new ATOM 0 HG23 VAL A 73 6.824 -2.509 0.536 1.00 35.33 H new ATOM 1172 N THR A 74 9.336 2.029 0.840 1.00 53.22 N ATOM 1173 CA THR A 74 9.459 3.456 1.128 1.00 31.23 C ATOM 1174 C THR A 74 8.985 4.248 -0.101 1.00 23.03 C ATOM 1175 O THR A 74 9.681 4.313 -1.117 1.00 75.03 O ATOM 1176 CB THR A 74 10.941 3.802 1.485 1.00 22.12 C ATOM 1177 OG1 THR A 74 11.366 2.973 2.584 1.00 60.02 O ATOM 1178 CG2 THR A 74 11.130 5.286 1.857 1.00 74.22 C ATOM 0 H THR A 74 10.177 1.625 0.429 1.00 53.22 H new ATOM 0 HA THR A 74 8.840 3.724 1.984 1.00 31.23 H new ATOM 0 HB THR A 74 11.547 3.612 0.599 1.00 22.12 H new ATOM 0 HG1 THR A 74 12.296 3.184 2.812 1.00 60.02 H new ATOM 0 HG21 THR A 74 12.177 5.471 2.096 1.00 74.22 H new ATOM 0 HG22 THR A 74 10.834 5.913 1.016 1.00 74.22 H new ATOM 0 HG23 THR A 74 10.513 5.525 2.723 1.00 74.22 H new ATOM 1186 N VAL A 75 7.781 4.817 -0.003 1.00 11.21 N ATOM 1187 CA VAL A 75 7.147 5.580 -1.085 1.00 62.01 C ATOM 1188 C VAL A 75 6.893 7.030 -0.620 1.00 64.43 C ATOM 1189 O VAL A 75 6.225 7.266 0.388 1.00 73.02 O ATOM 1190 CB VAL A 75 5.821 4.867 -1.586 1.00 63.33 C ATOM 1191 CG1 VAL A 75 4.854 4.543 -0.429 1.00 4.33 C ATOM 1192 CG2 VAL A 75 5.107 5.679 -2.695 1.00 14.33 C ATOM 0 H VAL A 75 7.210 4.761 0.841 1.00 11.21 H new ATOM 0 HA VAL A 75 7.821 5.615 -1.941 1.00 62.01 H new ATOM 0 HB VAL A 75 6.135 3.918 -2.021 1.00 63.33 H new ATOM 0 HG11 VAL A 75 3.963 4.056 -0.825 1.00 4.33 H new ATOM 0 HG12 VAL A 75 5.346 3.878 0.281 1.00 4.33 H new ATOM 0 HG13 VAL A 75 4.569 5.466 0.076 1.00 4.33 H new ATOM 0 HG21 VAL A 75 4.205 5.153 -3.007 1.00 14.33 H new ATOM 0 HG22 VAL A 75 4.839 6.663 -2.310 1.00 14.33 H new ATOM 0 HG23 VAL A 75 5.774 5.793 -3.549 1.00 14.33 H new ATOM 1202 N GLU A 76 7.491 7.990 -1.339 1.00 35.11 N ATOM 1203 CA GLU A 76 7.305 9.427 -1.097 1.00 11.31 C ATOM 1204 C GLU A 76 6.118 9.924 -1.931 1.00 13.03 C ATOM 1205 O GLU A 76 6.062 9.672 -3.144 1.00 23.55 O ATOM 1206 CB GLU A 76 8.595 10.196 -1.485 1.00 51.22 C ATOM 1207 CG GLU A 76 8.523 11.731 -1.293 1.00 74.42 C ATOM 1208 CD GLU A 76 8.421 12.159 0.179 1.00 72.53 C ATOM 1209 OE1 GLU A 76 9.472 12.385 0.816 1.00 2.25 O ATOM 1210 OE2 GLU A 76 7.295 12.266 0.707 1.00 60.32 O ATOM 0 H GLU A 76 8.124 7.788 -2.113 1.00 35.11 H new ATOM 0 HA GLU A 76 7.102 9.601 -0.040 1.00 11.31 H new ATOM 0 HB2 GLU A 76 9.423 9.809 -0.892 1.00 51.22 H new ATOM 0 HB3 GLU A 76 8.825 9.986 -2.529 1.00 51.22 H new ATOM 0 HG2 GLU A 76 9.409 12.187 -1.735 1.00 74.42 H new ATOM 0 HG3 GLU A 76 7.661 12.117 -1.836 1.00 74.42 H new ATOM 1217 N LEU A 77 5.158 10.606 -1.279 1.00 24.43 N ATOM 1218 CA LEU A 77 3.996 11.210 -1.955 1.00 72.21 C ATOM 1219 C LEU A 77 3.888 12.683 -1.560 1.00 43.13 C ATOM 1220 O LEU A 77 4.114 13.042 -0.404 1.00 21.21 O ATOM 1221 CB LEU A 77 2.642 10.504 -1.608 1.00 1.14 C ATOM 1222 CG LEU A 77 2.539 8.961 -1.868 1.00 14.21 C ATOM 1223 CD1 LEU A 77 3.207 8.137 -0.752 1.00 71.04 C ATOM 1224 CD2 LEU A 77 1.077 8.520 -2.066 1.00 3.21 C ATOM 0 H LEU A 77 5.167 10.753 -0.270 1.00 24.43 H new ATOM 0 HA LEU A 77 4.164 11.093 -3.026 1.00 72.21 H new ATOM 0 HB2 LEU A 77 2.431 10.682 -0.553 1.00 1.14 H new ATOM 0 HB3 LEU A 77 1.852 10.994 -2.178 1.00 1.14 H new ATOM 0 HG LEU A 77 3.084 8.764 -2.791 1.00 14.21 H new ATOM 0 HD11 LEU A 77 3.110 7.075 -0.976 1.00 71.04 H new ATOM 0 HD12 LEU A 77 4.263 8.399 -0.688 1.00 71.04 H new ATOM 0 HD13 LEU A 77 2.722 8.353 0.200 1.00 71.04 H new ATOM 0 HD21 LEU A 77 1.042 7.445 -2.244 1.00 3.21 H new ATOM 0 HD22 LEU A 77 0.501 8.759 -1.172 1.00 3.21 H new ATOM 0 HD23 LEU A 77 0.652 9.044 -2.922 1.00 3.21 H new ATOM 1236 N GLU A 78 3.540 13.531 -2.528 1.00 64.33 N ATOM 1237 CA GLU A 78 3.112 14.904 -2.260 1.00 65.53 C ATOM 1238 C GLU A 78 1.595 14.896 -2.057 1.00 11.13 C ATOM 1239 O GLU A 78 0.848 14.585 -2.991 1.00 70.15 O ATOM 1240 CB GLU A 78 3.500 15.848 -3.423 1.00 4.01 C ATOM 1241 CG GLU A 78 4.988 16.236 -3.465 1.00 3.12 C ATOM 1242 CD GLU A 78 5.310 17.226 -4.598 1.00 30.35 C ATOM 1243 OE1 GLU A 78 4.786 18.359 -4.568 1.00 64.24 O ATOM 1244 OE2 GLU A 78 6.059 16.876 -5.533 1.00 31.11 O ATOM 0 H GLU A 78 3.547 13.286 -3.518 1.00 64.33 H new ATOM 0 HA GLU A 78 3.611 15.276 -1.365 1.00 65.53 H new ATOM 0 HB2 GLU A 78 3.237 15.369 -4.366 1.00 4.01 H new ATOM 0 HB3 GLU A 78 2.903 16.757 -3.350 1.00 4.01 H new ATOM 0 HG2 GLU A 78 5.271 16.678 -2.510 1.00 3.12 H new ATOM 0 HG3 GLU A 78 5.591 15.337 -3.591 1.00 3.12 H new ATOM 1251 N GLU A 79 1.152 15.172 -0.824 1.00 34.00 N ATOM 1252 CA GLU A 79 -0.271 15.258 -0.480 1.00 31.13 C ATOM 1253 C GLU A 79 -0.689 16.736 -0.396 1.00 0.01 C ATOM 1254 O GLU A 79 -0.191 17.482 0.459 1.00 24.41 O ATOM 1255 CB GLU A 79 -0.565 14.529 0.862 1.00 5.23 C ATOM 1256 CG GLU A 79 -0.031 13.078 0.933 1.00 43.24 C ATOM 1257 CD GLU A 79 -0.681 12.239 2.048 1.00 1.22 C ATOM 1258 OE1 GLU A 79 -1.525 11.365 1.741 1.00 34.24 O ATOM 1259 OE2 GLU A 79 -0.373 12.463 3.242 1.00 64.14 O ATOM 0 H GLU A 79 1.774 15.343 -0.034 1.00 34.00 H new ATOM 0 HA GLU A 79 -0.852 14.764 -1.259 1.00 31.13 H new ATOM 0 HB2 GLU A 79 -0.127 15.105 1.677 1.00 5.23 H new ATOM 0 HB3 GLU A 79 -1.643 14.515 1.025 1.00 5.23 H new ATOM 0 HG2 GLU A 79 -0.202 12.589 -0.026 1.00 43.24 H new ATOM 0 HG3 GLU A 79 1.047 13.103 1.090 1.00 43.24 H new ATOM 1266 N THR A 80 -1.579 17.156 -1.308 1.00 3.24 N ATOM 1267 CA THR A 80 -2.201 18.476 -1.272 1.00 40.45 C ATOM 1268 C THR A 80 -3.463 18.385 -0.397 1.00 25.21 C ATOM 1269 O THR A 80 -4.496 17.837 -0.815 1.00 64.40 O ATOM 1270 CB THR A 80 -2.577 18.975 -2.708 1.00 20.34 C ATOM 1271 OG1 THR A 80 -1.433 18.873 -3.575 1.00 24.33 O ATOM 1272 CG2 THR A 80 -3.076 20.438 -2.710 1.00 0.34 C ATOM 0 H THR A 80 -1.885 16.581 -2.093 1.00 3.24 H new ATOM 0 HA THR A 80 -1.494 19.194 -0.857 1.00 40.45 H new ATOM 0 HB THR A 80 -3.388 18.341 -3.065 1.00 20.34 H new ATOM 0 HG1 THR A 80 -0.823 19.619 -3.400 1.00 24.33 H new ATOM 0 HG21 THR A 80 -3.324 20.737 -3.729 1.00 0.34 H new ATOM 0 HG22 THR A 80 -3.963 20.521 -2.082 1.00 0.34 H new ATOM 0 HG23 THR A 80 -2.294 21.090 -2.321 1.00 0.34 H new ATOM 1280 N THR A 81 -3.338 18.896 0.829 1.00 74.23 N ATOM 1281 CA THR A 81 -4.406 18.898 1.830 1.00 42.21 C ATOM 1282 C THR A 81 -4.382 20.244 2.576 1.00 33.15 C ATOM 1283 O THR A 81 -3.311 20.747 2.943 1.00 60.04 O ATOM 1284 CB THR A 81 -4.270 17.681 2.813 1.00 74.04 C ATOM 1285 OG1 THR A 81 -5.335 17.690 3.780 1.00 55.15 O ATOM 1286 CG2 THR A 81 -2.904 17.648 3.532 1.00 61.44 C ATOM 0 H THR A 81 -2.475 19.328 1.160 1.00 74.23 H new ATOM 0 HA THR A 81 -5.370 18.784 1.335 1.00 42.21 H new ATOM 0 HB THR A 81 -4.339 16.779 2.205 1.00 74.04 H new ATOM 0 HG1 THR A 81 -5.236 16.924 4.383 1.00 55.15 H new ATOM 0 HG21 THR A 81 -2.865 16.787 4.199 1.00 61.44 H new ATOM 0 HG22 THR A 81 -2.106 17.572 2.794 1.00 61.44 H new ATOM 0 HG23 THR A 81 -2.776 18.562 4.112 1.00 61.44 H new ATOM 1294 N GLY A 82 -5.571 20.840 2.738 1.00 31.23 N ATOM 1295 CA GLY A 82 -5.721 22.174 3.326 1.00 75.45 C ATOM 1296 C GLY A 82 -5.215 23.299 2.417 1.00 72.41 C ATOM 1297 O GLY A 82 -5.000 24.423 2.880 1.00 71.24 O ATOM 0 H GLY A 82 -6.454 20.409 2.465 1.00 31.23 H new ATOM 0 HA2 GLY A 82 -6.773 22.346 3.554 1.00 75.45 H new ATOM 0 HA3 GLY A 82 -5.180 22.209 4.271 1.00 75.45 H new ATOM 1301 N GLY A 83 -5.027 22.986 1.119 1.00 72.41 N ATOM 1302 CA GLY A 83 -4.461 23.926 0.142 1.00 63.21 C ATOM 1303 C GLY A 83 -2.933 23.903 0.100 1.00 73.44 C ATOM 1304 O GLY A 83 -2.324 24.570 -0.746 1.00 64.44 O ATOM 0 H GLY A 83 -5.264 22.076 0.724 1.00 72.41 H new ATOM 0 HA2 GLY A 83 -4.849 23.688 -0.848 1.00 63.21 H new ATOM 0 HA3 GLY A 83 -4.796 24.935 0.382 1.00 63.21 H new ATOM 1308 N THR A 84 -2.311 23.135 1.017 1.00 31.31 N ATOM 1309 CA THR A 84 -0.846 23.022 1.127 1.00 35.40 C ATOM 1310 C THR A 84 -0.378 21.639 0.644 1.00 42.30 C ATOM 1311 O THR A 84 -0.817 20.611 1.173 1.00 2.04 O ATOM 1312 CB THR A 84 -0.377 23.257 2.604 1.00 71.31 C ATOM 1313 OG1 THR A 84 -1.142 22.433 3.505 1.00 52.10 O ATOM 1314 CG2 THR A 84 -0.513 24.731 3.023 1.00 43.44 C ATOM 0 H THR A 84 -2.815 22.574 1.704 1.00 31.31 H new ATOM 0 HA THR A 84 -0.400 23.790 0.495 1.00 35.40 H new ATOM 0 HB THR A 84 0.677 22.986 2.655 1.00 71.31 H new ATOM 0 HG1 THR A 84 -1.730 21.843 2.989 1.00 52.10 H new ATOM 0 HG21 THR A 84 -0.177 24.849 4.053 1.00 43.44 H new ATOM 0 HG22 THR A 84 0.098 25.353 2.369 1.00 43.44 H new ATOM 0 HG23 THR A 84 -1.556 25.037 2.944 1.00 43.44 H new ATOM 1322 N THR A 85 0.503 21.621 -0.369 1.00 31.40 N ATOM 1323 CA THR A 85 1.139 20.390 -0.851 1.00 13.34 C ATOM 1324 C THR A 85 2.409 20.143 -0.028 1.00 2.23 C ATOM 1325 O THR A 85 3.322 20.970 -0.049 1.00 51.11 O ATOM 1326 CB THR A 85 1.497 20.491 -2.370 1.00 64.23 C ATOM 1327 OG1 THR A 85 0.394 21.060 -3.083 1.00 73.41 O ATOM 1328 CG2 THR A 85 1.824 19.112 -2.976 1.00 11.04 C ATOM 0 H THR A 85 0.792 22.459 -0.874 1.00 31.40 H new ATOM 0 HA THR A 85 0.442 19.560 -0.733 1.00 13.34 H new ATOM 0 HB THR A 85 2.381 21.122 -2.460 1.00 64.23 H new ATOM 0 HG1 THR A 85 0.618 21.125 -4.035 1.00 73.41 H new ATOM 0 HG21 THR A 85 2.067 19.227 -4.032 1.00 11.04 H new ATOM 0 HG22 THR A 85 2.676 18.677 -2.453 1.00 11.04 H new ATOM 0 HG23 THR A 85 0.961 18.455 -2.872 1.00 11.04 H new ATOM 1336 N THR A 86 2.445 19.030 0.716 1.00 25.11 N ATOM 1337 CA THR A 86 3.588 18.665 1.574 1.00 31.53 C ATOM 1338 C THR A 86 4.050 17.235 1.244 1.00 1.42 C ATOM 1339 O THR A 86 3.260 16.416 0.764 1.00 11.31 O ATOM 1340 CB THR A 86 3.218 18.783 3.095 1.00 73.03 C ATOM 1341 OG1 THR A 86 4.377 18.531 3.911 1.00 44.25 O ATOM 1342 CG2 THR A 86 2.088 17.811 3.493 1.00 33.10 C ATOM 0 H THR A 86 1.682 18.353 0.742 1.00 25.11 H new ATOM 0 HA THR A 86 4.403 19.361 1.376 1.00 31.53 H new ATOM 0 HB THR A 86 2.862 19.800 3.261 1.00 73.03 H new ATOM 0 HG1 THR A 86 4.134 18.609 4.857 1.00 44.25 H new ATOM 0 HG21 THR A 86 1.865 17.927 4.554 1.00 33.10 H new ATOM 0 HG22 THR A 86 1.195 18.032 2.908 1.00 33.10 H new ATOM 0 HG23 THR A 86 2.404 16.786 3.299 1.00 33.10 H new ATOM 1350 N ASN A 87 5.335 16.955 1.482 1.00 53.33 N ATOM 1351 CA ASN A 87 5.900 15.609 1.323 1.00 3.12 C ATOM 1352 C ASN A 87 5.560 14.763 2.550 1.00 22.44 C ATOM 1353 O ASN A 87 5.727 15.208 3.695 1.00 33.35 O ATOM 1354 CB ASN A 87 7.430 15.657 1.121 1.00 41.22 C ATOM 1355 CG ASN A 87 7.831 16.218 -0.232 1.00 4.11 C ATOM 1356 OD1 ASN A 87 8.141 17.396 -0.357 1.00 32.14 O ATOM 1357 ND2 ASN A 87 7.795 15.382 -1.257 1.00 5.44 N ATOM 0 H ASN A 87 6.013 17.653 1.790 1.00 53.33 H new ATOM 0 HA ASN A 87 5.462 15.159 0.432 1.00 3.12 H new ATOM 0 HB2 ASN A 87 7.876 16.266 1.908 1.00 41.22 H new ATOM 0 HB3 ASN A 87 7.837 14.651 1.227 1.00 41.22 H new ATOM 0 HD21 ASN A 87 8.031 15.712 -2.193 1.00 5.44 H new ATOM 0 HD22 ASN A 87 7.532 14.407 -1.111 1.00 5.44 H new ATOM 1364 N THR A 88 5.093 13.546 2.288 1.00 4.10 N ATOM 1365 CA THR A 88 4.678 12.589 3.308 1.00 35.03 C ATOM 1366 C THR A 88 5.103 11.188 2.838 1.00 43.03 C ATOM 1367 O THR A 88 4.575 10.666 1.839 1.00 33.23 O ATOM 1368 CB THR A 88 3.127 12.646 3.525 1.00 72.03 C ATOM 1369 OG1 THR A 88 2.703 14.014 3.679 1.00 51.12 O ATOM 1370 CG2 THR A 88 2.687 11.842 4.760 1.00 65.14 C ATOM 0 H THR A 88 4.990 13.190 1.338 1.00 4.10 H new ATOM 0 HA THR A 88 5.150 12.830 4.261 1.00 35.03 H new ATOM 0 HB THR A 88 2.661 12.201 2.646 1.00 72.03 H new ATOM 0 HG1 THR A 88 1.733 14.043 3.813 1.00 51.12 H new ATOM 0 HG21 THR A 88 1.605 11.910 4.872 1.00 65.14 H new ATOM 0 HG22 THR A 88 2.974 10.798 4.636 1.00 65.14 H new ATOM 0 HG23 THR A 88 3.169 12.248 5.649 1.00 65.14 H new ATOM 1378 N THR A 89 6.082 10.609 3.538 1.00 64.32 N ATOM 1379 CA THR A 89 6.650 9.310 3.194 1.00 14.20 C ATOM 1380 C THR A 89 5.885 8.206 3.927 1.00 70.32 C ATOM 1381 O THR A 89 5.813 8.207 5.156 1.00 22.35 O ATOM 1382 CB THR A 89 8.166 9.245 3.573 1.00 31.21 C ATOM 1383 OG1 THR A 89 8.850 10.383 3.021 1.00 12.00 O ATOM 1384 CG2 THR A 89 8.833 7.959 3.051 1.00 14.04 C ATOM 0 H THR A 89 6.503 11.034 4.364 1.00 64.32 H new ATOM 0 HA THR A 89 6.560 9.167 2.117 1.00 14.20 H new ATOM 0 HB THR A 89 8.234 9.247 4.661 1.00 31.21 H new ATOM 0 HG1 THR A 89 9.799 10.342 3.260 1.00 12.00 H new ATOM 0 HG21 THR A 89 9.885 7.953 3.336 1.00 14.04 H new ATOM 0 HG22 THR A 89 8.336 7.090 3.482 1.00 14.04 H new ATOM 0 HG23 THR A 89 8.751 7.922 1.965 1.00 14.04 H new ATOM 1392 N TYR A 90 5.317 7.271 3.170 1.00 52.10 N ATOM 1393 CA TYR A 90 4.671 6.083 3.724 1.00 12.12 C ATOM 1394 C TYR A 90 5.624 4.903 3.549 1.00 0.12 C ATOM 1395 O TYR A 90 6.106 4.652 2.448 1.00 73.22 O ATOM 1396 CB TYR A 90 3.340 5.788 2.990 1.00 32.13 C ATOM 1397 CG TYR A 90 2.213 6.790 3.272 1.00 30.42 C ATOM 1398 CD1 TYR A 90 2.210 8.063 2.700 1.00 4.14 C ATOM 1399 CD2 TYR A 90 1.144 6.445 4.096 1.00 34.04 C ATOM 1400 CE1 TYR A 90 1.184 8.949 2.939 1.00 31.45 C ATOM 1401 CE2 TYR A 90 0.118 7.324 4.342 1.00 43.33 C ATOM 1402 CZ TYR A 90 0.141 8.574 3.761 1.00 71.13 C ATOM 1403 OH TYR A 90 -0.884 9.444 4.003 1.00 4.44 O ATOM 0 H TYR A 90 5.291 7.316 2.151 1.00 52.10 H new ATOM 0 HA TYR A 90 4.446 6.247 4.778 1.00 12.12 H new ATOM 0 HB2 TYR A 90 3.530 5.769 1.917 1.00 32.13 H new ATOM 0 HB3 TYR A 90 3.000 4.791 3.271 1.00 32.13 H new ATOM 0 HD1 TYR A 90 3.027 8.358 2.058 1.00 4.14 H new ATOM 0 HD2 TYR A 90 1.122 5.466 4.551 1.00 34.04 H new ATOM 0 HE1 TYR A 90 1.195 9.930 2.487 1.00 31.45 H new ATOM 0 HE2 TYR A 90 -0.701 7.038 4.986 1.00 43.33 H new ATOM 0 HH TYR A 90 -1.111 9.920 3.177 1.00 4.44 H new ATOM 1413 N GLU A 91 5.927 4.205 4.643 1.00 33.12 N ATOM 1414 CA GLU A 91 6.705 2.969 4.604 1.00 73.35 C ATOM 1415 C GLU A 91 5.765 1.818 4.943 1.00 51.13 C ATOM 1416 O GLU A 91 5.398 1.626 6.107 1.00 55.31 O ATOM 1417 CB GLU A 91 7.883 3.059 5.600 1.00 60.20 C ATOM 1418 CG GLU A 91 8.911 4.168 5.273 1.00 10.44 C ATOM 1419 CD GLU A 91 10.049 4.269 6.306 1.00 14.03 C ATOM 1420 OE1 GLU A 91 10.316 5.375 6.818 1.00 50.12 O ATOM 1421 OE2 GLU A 91 10.670 3.234 6.621 1.00 34.13 O ATOM 0 H GLU A 91 5.639 4.482 5.582 1.00 33.12 H new ATOM 0 HA GLU A 91 7.133 2.804 3.615 1.00 73.35 H new ATOM 0 HB2 GLU A 91 7.485 3.232 6.600 1.00 60.20 H new ATOM 0 HB3 GLU A 91 8.398 2.098 5.623 1.00 60.20 H new ATOM 0 HG2 GLU A 91 9.339 3.978 4.289 1.00 10.44 H new ATOM 0 HG3 GLU A 91 8.395 5.127 5.216 1.00 10.44 H new ATOM 1428 N LEU A 92 5.341 1.083 3.903 1.00 53.31 N ATOM 1429 CA LEU A 92 4.459 -0.074 4.051 1.00 5.22 C ATOM 1430 C LEU A 92 5.348 -1.299 4.260 1.00 43.52 C ATOM 1431 O LEU A 92 6.013 -1.773 3.333 1.00 14.20 O ATOM 1432 CB LEU A 92 3.513 -0.237 2.827 1.00 2.34 C ATOM 1433 CG LEU A 92 2.517 0.950 2.562 1.00 34.13 C ATOM 1434 CD1 LEU A 92 3.213 2.165 1.917 1.00 62.43 C ATOM 1435 CD2 LEU A 92 1.302 0.504 1.725 1.00 75.55 C ATOM 0 H LEU A 92 5.603 1.278 2.937 1.00 53.31 H new ATOM 0 HA LEU A 92 3.800 0.058 4.909 1.00 5.22 H new ATOM 0 HB2 LEU A 92 4.125 -0.377 1.936 1.00 2.34 H new ATOM 0 HB3 LEU A 92 2.932 -1.149 2.961 1.00 2.34 H new ATOM 0 HG LEU A 92 2.151 1.266 3.539 1.00 34.13 H new ATOM 0 HD11 LEU A 92 2.483 2.958 1.754 1.00 62.43 H new ATOM 0 HD12 LEU A 92 4.000 2.527 2.578 1.00 62.43 H new ATOM 0 HD13 LEU A 92 3.648 1.870 0.962 1.00 62.43 H new ATOM 0 HD21 LEU A 92 0.639 1.354 1.565 1.00 75.55 H new ATOM 0 HD22 LEU A 92 1.643 0.123 0.762 1.00 75.55 H new ATOM 0 HD23 LEU A 92 0.763 -0.281 2.255 1.00 75.55 H new ATOM 1447 N ARG A 93 5.371 -1.760 5.506 1.00 73.25 N ATOM 1448 CA ARG A 93 6.293 -2.778 5.986 1.00 32.43 C ATOM 1449 C ARG A 93 5.532 -4.111 6.037 1.00 53.11 C ATOM 1450 O ARG A 93 4.788 -4.378 6.988 1.00 24.52 O ATOM 1451 CB ARG A 93 6.809 -2.311 7.382 1.00 40.00 C ATOM 1452 CG ARG A 93 8.104 -2.978 7.886 1.00 10.25 C ATOM 1453 CD ARG A 93 8.707 -2.236 9.098 1.00 13.20 C ATOM 1454 NE ARG A 93 10.082 -2.680 9.420 1.00 62.22 N ATOM 1455 CZ ARG A 93 11.118 -1.852 9.682 1.00 43.44 C ATOM 1456 NH1 ARG A 93 10.953 -0.532 9.658 1.00 62.21 N ATOM 1457 NH2 ARG A 93 12.312 -2.343 9.949 1.00 55.42 N ATOM 0 H ARG A 93 4.732 -1.426 6.227 1.00 73.25 H new ATOM 0 HA ARG A 93 7.158 -2.920 5.338 1.00 32.43 H new ATOM 0 HB2 ARG A 93 6.970 -1.234 7.345 1.00 40.00 H new ATOM 0 HB3 ARG A 93 6.023 -2.491 8.116 1.00 40.00 H new ATOM 0 HG2 ARG A 93 7.895 -4.012 8.162 1.00 10.25 H new ATOM 0 HG3 ARG A 93 8.835 -3.005 7.078 1.00 10.25 H new ATOM 0 HD2 ARG A 93 8.715 -1.165 8.895 1.00 13.20 H new ATOM 0 HD3 ARG A 93 8.068 -2.391 9.967 1.00 13.20 H new ATOM 0 HE ARG A 93 10.261 -3.684 9.446 1.00 62.22 H new ATOM 0 HH11 ARG A 93 10.038 -0.136 9.440 1.00 62.21 H new ATOM 0 HH12 ARG A 93 11.741 0.084 9.857 1.00 62.21 H new ATOM 0 HH21 ARG A 93 12.458 -3.352 9.959 1.00 55.42 H new ATOM 0 HH22 ARG A 93 13.090 -1.713 10.146 1.00 55.42 H new ATOM 1471 N PHE A 94 5.707 -4.922 4.982 1.00 62.20 N ATOM 1472 CA PHE A 94 4.965 -6.167 4.791 1.00 5.20 C ATOM 1473 C PHE A 94 5.708 -7.320 5.480 1.00 11.00 C ATOM 1474 O PHE A 94 6.794 -7.732 5.044 1.00 31.40 O ATOM 1475 CB PHE A 94 4.803 -6.457 3.280 1.00 45.20 C ATOM 1476 CG PHE A 94 4.005 -5.411 2.500 1.00 74.21 C ATOM 1477 CD1 PHE A 94 4.645 -4.381 1.814 1.00 71.45 C ATOM 1478 CD2 PHE A 94 2.611 -5.477 2.436 1.00 23.31 C ATOM 1479 CE1 PHE A 94 3.917 -3.442 1.103 1.00 71.41 C ATOM 1480 CE2 PHE A 94 1.888 -4.537 1.726 1.00 40.32 C ATOM 1481 CZ PHE A 94 2.541 -3.525 1.054 1.00 63.10 C ATOM 0 H PHE A 94 6.373 -4.726 4.235 1.00 62.20 H new ATOM 0 HA PHE A 94 3.974 -6.070 5.235 1.00 5.20 H new ATOM 0 HB2 PHE A 94 5.794 -6.542 2.834 1.00 45.20 H new ATOM 0 HB3 PHE A 94 4.316 -7.425 3.162 1.00 45.20 H new ATOM 0 HD1 PHE A 94 5.723 -4.314 1.837 1.00 71.45 H new ATOM 0 HD2 PHE A 94 2.091 -6.273 2.948 1.00 23.31 H new ATOM 0 HE1 PHE A 94 4.428 -2.643 0.586 1.00 71.41 H new ATOM 0 HE2 PHE A 94 0.810 -4.595 1.697 1.00 40.32 H new ATOM 0 HZ PHE A 94 1.975 -2.798 0.490 1.00 63.10 H new ATOM 1491 N GLU A 95 5.115 -7.802 6.572 1.00 44.21 N ATOM 1492 CA GLU A 95 5.639 -8.907 7.365 1.00 74.31 C ATOM 1493 C GLU A 95 5.115 -10.217 6.737 1.00 52.02 C ATOM 1494 O GLU A 95 3.897 -10.432 6.641 1.00 34.11 O ATOM 1495 CB GLU A 95 5.201 -8.703 8.846 1.00 55.52 C ATOM 1496 CG GLU A 95 5.971 -9.532 9.908 1.00 32.31 C ATOM 1497 CD GLU A 95 5.654 -11.036 9.880 1.00 21.01 C ATOM 1498 OE1 GLU A 95 4.463 -11.402 9.928 1.00 52.23 O ATOM 1499 OE2 GLU A 95 6.589 -11.852 9.819 1.00 3.23 O ATOM 0 H GLU A 95 4.239 -7.426 6.935 1.00 44.21 H new ATOM 0 HA GLU A 95 6.728 -8.952 7.365 1.00 74.31 H new ATOM 0 HB2 GLU A 95 5.308 -7.647 9.093 1.00 55.52 H new ATOM 0 HB3 GLU A 95 4.141 -8.944 8.926 1.00 55.52 H new ATOM 0 HG2 GLU A 95 7.041 -9.394 9.755 1.00 32.31 H new ATOM 0 HG3 GLU A 95 5.738 -9.141 10.898 1.00 32.31 H new ATOM 1506 N VAL A 96 6.057 -11.061 6.296 1.00 71.12 N ATOM 1507 CA VAL A 96 5.781 -12.244 5.460 1.00 24.43 C ATOM 1508 C VAL A 96 5.687 -13.530 6.307 1.00 33.20 C ATOM 1509 O VAL A 96 6.311 -13.642 7.372 1.00 71.34 O ATOM 1510 CB VAL A 96 6.874 -12.409 4.322 1.00 12.35 C ATOM 1511 CG1 VAL A 96 7.174 -11.048 3.653 1.00 54.44 C ATOM 1512 CG2 VAL A 96 8.180 -13.073 4.832 1.00 34.34 C ATOM 0 H VAL A 96 7.047 -10.942 6.511 1.00 71.12 H new ATOM 0 HA VAL A 96 4.813 -12.083 4.986 1.00 24.43 H new ATOM 0 HB VAL A 96 6.453 -13.084 3.577 1.00 12.35 H new ATOM 0 HG11 VAL A 96 7.926 -11.183 2.875 1.00 54.44 H new ATOM 0 HG12 VAL A 96 6.261 -10.651 3.210 1.00 54.44 H new ATOM 0 HG13 VAL A 96 7.547 -10.349 4.402 1.00 54.44 H new ATOM 0 HG21 VAL A 96 8.890 -13.159 4.009 1.00 34.34 H new ATOM 0 HG22 VAL A 96 8.614 -12.462 5.623 1.00 34.34 H new ATOM 0 HG23 VAL A 96 7.955 -14.065 5.223 1.00 34.34 H new ATOM 1522 N ASP A 97 4.889 -14.484 5.817 1.00 41.11 N ATOM 1523 CA ASP A 97 4.723 -15.819 6.417 1.00 74.02 C ATOM 1524 C ASP A 97 4.775 -16.884 5.301 1.00 20.54 C ATOM 1525 O ASP A 97 3.788 -17.088 4.571 1.00 3.13 O ATOM 1526 CB ASP A 97 3.387 -15.883 7.201 1.00 64.51 C ATOM 1527 CG ASP A 97 3.069 -17.268 7.791 1.00 4.53 C ATOM 1528 OD1 ASP A 97 2.241 -18.003 7.211 1.00 45.33 O ATOM 1529 OD2 ASP A 97 3.661 -17.635 8.821 1.00 31.41 O ATOM 0 H ASP A 97 4.328 -14.351 4.976 1.00 41.11 H new ATOM 0 HA ASP A 97 5.530 -16.017 7.122 1.00 74.02 H new ATOM 0 HB2 ASP A 97 3.418 -15.154 8.011 1.00 64.51 H new ATOM 0 HB3 ASP A 97 2.574 -15.588 6.537 1.00 64.51 H new ATOM 1534 N GLY A 98 5.952 -17.523 5.159 1.00 34.43 N ATOM 1535 CA GLY A 98 6.170 -18.556 4.147 1.00 74.13 C ATOM 1536 C GLY A 98 6.212 -17.993 2.729 1.00 41.21 C ATOM 1537 O GLY A 98 7.229 -17.440 2.303 1.00 71.40 O ATOM 0 H GLY A 98 6.768 -17.335 5.741 1.00 34.43 H new ATOM 0 HA2 GLY A 98 7.107 -19.072 4.356 1.00 74.13 H new ATOM 0 HA3 GLY A 98 5.375 -19.299 4.215 1.00 74.13 H new ATOM 1541 N ASP A 99 5.088 -18.110 2.013 1.00 34.24 N ATOM 1542 CA ASP A 99 4.980 -17.719 0.589 1.00 53.51 C ATOM 1543 C ASP A 99 4.145 -16.428 0.435 1.00 24.15 C ATOM 1544 O ASP A 99 4.287 -15.697 -0.553 1.00 14.32 O ATOM 1545 CB ASP A 99 4.325 -18.892 -0.197 1.00 74.55 C ATOM 1546 CG ASP A 99 4.378 -18.725 -1.728 1.00 72.45 C ATOM 1547 OD1 ASP A 99 5.334 -19.224 -2.354 1.00 3.31 O ATOM 1548 OD2 ASP A 99 3.467 -18.095 -2.318 1.00 20.23 O ATOM 0 H ASP A 99 4.220 -18.479 2.400 1.00 34.24 H new ATOM 0 HA ASP A 99 5.974 -17.515 0.190 1.00 53.51 H new ATOM 0 HB2 ASP A 99 4.825 -19.822 0.075 1.00 74.55 H new ATOM 0 HB3 ASP A 99 3.284 -18.987 0.112 1.00 74.55 H new ATOM 1553 N THR A 100 3.327 -16.122 1.454 1.00 23.21 N ATOM 1554 CA THR A 100 2.317 -15.046 1.398 1.00 73.01 C ATOM 1555 C THR A 100 2.465 -14.101 2.599 1.00 70.11 C ATOM 1556 O THR A 100 2.940 -14.498 3.665 1.00 64.13 O ATOM 1557 CB THR A 100 0.867 -15.640 1.348 1.00 45.22 C ATOM 1558 OG1 THR A 100 -0.110 -14.585 1.294 1.00 13.01 O ATOM 1559 CG2 THR A 100 0.568 -16.566 2.542 1.00 31.41 C ATOM 0 H THR A 100 3.345 -16.615 2.347 1.00 23.21 H new ATOM 0 HA THR A 100 2.485 -14.476 0.484 1.00 73.01 H new ATOM 0 HB THR A 100 0.806 -16.242 0.441 1.00 45.22 H new ATOM 0 HG1 THR A 100 0.200 -13.883 0.685 1.00 13.01 H new ATOM 0 HG21 THR A 100 -0.449 -16.950 2.459 1.00 31.41 H new ATOM 0 HG22 THR A 100 1.272 -17.398 2.542 1.00 31.41 H new ATOM 0 HG23 THR A 100 0.669 -16.005 3.471 1.00 31.41 H new ATOM 1567 N ILE A 101 2.038 -12.851 2.405 1.00 51.32 N ATOM 1568 CA ILE A 101 2.161 -11.780 3.402 1.00 45.34 C ATOM 1569 C ILE A 101 0.856 -11.678 4.214 1.00 5.24 C ATOM 1570 O ILE A 101 -0.234 -11.627 3.638 1.00 61.22 O ATOM 1571 CB ILE A 101 2.472 -10.416 2.692 1.00 32.21 C ATOM 1572 CG1 ILE A 101 3.767 -10.539 1.818 1.00 13.51 C ATOM 1573 CG2 ILE A 101 2.575 -9.261 3.718 1.00 43.32 C ATOM 1574 CD1 ILE A 101 4.082 -9.335 0.934 1.00 71.25 C ATOM 0 H ILE A 101 1.591 -12.548 1.540 1.00 51.32 H new ATOM 0 HA ILE A 101 2.983 -12.011 4.080 1.00 45.34 H new ATOM 0 HB ILE A 101 1.643 -10.175 2.027 1.00 32.21 H new ATOM 0 HG12 ILE A 101 4.615 -10.713 2.480 1.00 13.51 H new ATOM 0 HG13 ILE A 101 3.673 -11.419 1.182 1.00 13.51 H new ATOM 0 HG21 ILE A 101 2.791 -8.329 3.196 1.00 43.32 H new ATOM 0 HG22 ILE A 101 1.631 -9.166 4.255 1.00 43.32 H new ATOM 0 HG23 ILE A 101 3.375 -9.474 4.427 1.00 43.32 H new ATOM 0 HD11 ILE A 101 4.997 -9.525 0.373 1.00 71.25 H new ATOM 0 HD12 ILE A 101 3.258 -9.168 0.240 1.00 71.25 H new ATOM 0 HD13 ILE A 101 4.216 -8.451 1.557 1.00 71.25 H new ATOM 1586 N ARG A 102 0.981 -11.648 5.550 1.00 12.24 N ATOM 1587 CA ARG A 102 -0.179 -11.643 6.471 1.00 1.44 C ATOM 1588 C ARG A 102 -0.438 -10.242 7.031 1.00 24.44 C ATOM 1589 O ARG A 102 -1.591 -9.835 7.221 1.00 20.13 O ATOM 1590 CB ARG A 102 0.059 -12.636 7.637 1.00 23.22 C ATOM 1591 CG ARG A 102 0.431 -14.060 7.186 1.00 74.10 C ATOM 1592 CD ARG A 102 -0.647 -14.743 6.328 1.00 42.55 C ATOM 1593 NE ARG A 102 -0.177 -16.050 5.820 1.00 55.13 N ATOM 1594 CZ ARG A 102 -0.807 -17.228 5.977 1.00 73.42 C ATOM 1595 NH1 ARG A 102 -1.962 -17.302 6.642 1.00 11.03 N ATOM 1596 NH2 ARG A 102 -0.279 -18.324 5.448 1.00 72.32 N ATOM 0 H ARG A 102 1.883 -11.627 6.026 1.00 12.24 H new ATOM 0 HA ARG A 102 -1.057 -11.953 5.904 1.00 1.44 H new ATOM 0 HB2 ARG A 102 0.855 -12.249 8.273 1.00 23.22 H new ATOM 0 HB3 ARG A 102 -0.842 -12.684 8.248 1.00 23.22 H new ATOM 0 HG2 ARG A 102 1.361 -14.020 6.619 1.00 74.10 H new ATOM 0 HG3 ARG A 102 0.621 -14.672 8.068 1.00 74.10 H new ATOM 0 HD2 ARG A 102 -1.551 -14.884 6.920 1.00 42.55 H new ATOM 0 HD3 ARG A 102 -0.911 -14.098 5.490 1.00 42.55 H new ATOM 0 HE ARG A 102 0.703 -16.059 5.305 1.00 55.13 H new ATOM 0 HH11 ARG A 102 -2.377 -16.459 7.038 1.00 11.03 H new ATOM 0 HH12 ARG A 102 -2.429 -18.202 6.754 1.00 11.03 H new ATOM 0 HH21 ARG A 102 0.597 -18.268 4.928 1.00 72.32 H new ATOM 0 HH22 ARG A 102 -0.749 -19.222 5.561 1.00 72.32 H new ATOM 1610 N ARG A 103 0.648 -9.499 7.264 1.00 44.33 N ATOM 1611 CA ARG A 103 0.621 -8.251 8.043 1.00 32.34 C ATOM 1612 C ARG A 103 1.278 -7.123 7.232 1.00 21.21 C ATOM 1613 O ARG A 103 2.228 -7.360 6.484 1.00 54.53 O ATOM 1614 CB ARG A 103 1.383 -8.451 9.390 1.00 24.40 C ATOM 1615 CG ARG A 103 0.842 -9.590 10.295 1.00 24.23 C ATOM 1616 CD ARG A 103 1.750 -9.878 11.509 1.00 13.34 C ATOM 1617 NE ARG A 103 1.200 -10.945 12.372 1.00 34.45 N ATOM 1618 CZ ARG A 103 1.768 -12.147 12.608 1.00 44.41 C ATOM 1619 NH1 ARG A 103 2.927 -12.483 12.053 1.00 32.22 N ATOM 1620 NH2 ARG A 103 1.176 -13.001 13.431 1.00 20.53 N ATOM 0 H ARG A 103 1.575 -9.745 6.918 1.00 44.33 H new ATOM 0 HA ARG A 103 -0.413 -7.983 8.258 1.00 32.34 H new ATOM 0 HB2 ARG A 103 2.431 -8.652 9.169 1.00 24.40 H new ATOM 0 HB3 ARG A 103 1.348 -7.517 9.950 1.00 24.40 H new ATOM 0 HG2 ARG A 103 -0.154 -9.324 10.648 1.00 24.23 H new ATOM 0 HG3 ARG A 103 0.738 -10.499 9.702 1.00 24.23 H new ATOM 0 HD2 ARG A 103 2.741 -10.169 11.160 1.00 13.34 H new ATOM 0 HD3 ARG A 103 1.873 -8.966 12.094 1.00 13.34 H new ATOM 0 HE ARG A 103 0.309 -10.756 12.832 1.00 34.45 H new ATOM 0 HH11 ARG A 103 3.406 -11.828 11.435 1.00 32.22 H new ATOM 0 HH12 ARG A 103 3.339 -13.396 12.245 1.00 32.22 H new ATOM 0 HH21 ARG A 103 0.297 -12.749 13.882 1.00 20.53 H new ATOM 0 HH22 ARG A 103 1.600 -13.911 13.613 1.00 20.53 H new ATOM 1634 N VAL A 104 0.746 -5.905 7.392 1.00 12.31 N ATOM 1635 CA VAL A 104 1.253 -4.686 6.736 1.00 4.43 C ATOM 1636 C VAL A 104 1.249 -3.531 7.755 1.00 12.11 C ATOM 1637 O VAL A 104 0.213 -3.225 8.364 1.00 73.33 O ATOM 1638 CB VAL A 104 0.403 -4.308 5.457 1.00 74.24 C ATOM 1639 CG1 VAL A 104 -1.113 -4.231 5.762 1.00 53.13 C ATOM 1640 CG2 VAL A 104 0.915 -2.993 4.806 1.00 14.01 C ATOM 0 H VAL A 104 -0.062 -5.732 7.990 1.00 12.31 H new ATOM 0 HA VAL A 104 2.271 -4.873 6.393 1.00 4.43 H new ATOM 0 HB VAL A 104 0.541 -5.114 4.737 1.00 74.24 H new ATOM 0 HG11 VAL A 104 -1.654 -3.968 4.853 1.00 53.13 H new ATOM 0 HG12 VAL A 104 -1.461 -5.198 6.125 1.00 53.13 H new ATOM 0 HG13 VAL A 104 -1.293 -3.472 6.523 1.00 53.13 H new ATOM 0 HG21 VAL A 104 0.310 -2.761 3.930 1.00 14.01 H new ATOM 0 HG22 VAL A 104 0.839 -2.177 5.525 1.00 14.01 H new ATOM 0 HG23 VAL A 104 1.956 -3.117 4.506 1.00 14.01 H new ATOM 1650 N THR A 105 2.415 -2.911 7.962 1.00 13.12 N ATOM 1651 CA THR A 105 2.562 -1.784 8.886 1.00 70.22 C ATOM 1652 C THR A 105 2.794 -0.511 8.059 1.00 64.23 C ATOM 1653 O THR A 105 3.892 -0.291 7.547 1.00 44.31 O ATOM 1654 CB THR A 105 3.763 -2.034 9.862 1.00 41.41 C ATOM 1655 OG1 THR A 105 3.673 -3.362 10.402 1.00 73.24 O ATOM 1656 CG2 THR A 105 3.806 -1.011 11.017 1.00 55.51 C ATOM 0 H THR A 105 3.282 -3.176 7.494 1.00 13.12 H new ATOM 0 HA THR A 105 1.661 -1.674 9.489 1.00 70.22 H new ATOM 0 HB THR A 105 4.681 -1.917 9.287 1.00 41.41 H new ATOM 0 HG1 THR A 105 4.425 -3.519 11.011 1.00 73.24 H new ATOM 0 HG21 THR A 105 4.656 -1.228 11.664 1.00 55.51 H new ATOM 0 HG22 THR A 105 3.908 -0.005 10.609 1.00 55.51 H new ATOM 0 HG23 THR A 105 2.884 -1.076 11.595 1.00 55.51 H new ATOM 1664 N VAL A 106 1.750 0.316 7.926 1.00 54.31 N ATOM 1665 CA VAL A 106 1.813 1.563 7.156 1.00 50.10 C ATOM 1666 C VAL A 106 2.296 2.685 8.088 1.00 64.13 C ATOM 1667 O VAL A 106 1.564 3.111 8.988 1.00 72.40 O ATOM 1668 CB VAL A 106 0.413 1.921 6.523 1.00 43.01 C ATOM 1669 CG1 VAL A 106 0.486 3.212 5.672 1.00 61.51 C ATOM 1670 CG2 VAL A 106 -0.138 0.738 5.684 1.00 72.14 C ATOM 0 H VAL A 106 0.839 0.139 8.349 1.00 54.31 H new ATOM 0 HA VAL A 106 2.511 1.442 6.328 1.00 50.10 H new ATOM 0 HB VAL A 106 -0.278 2.106 7.345 1.00 43.01 H new ATOM 0 HG11 VAL A 106 -0.497 3.427 5.252 1.00 61.51 H new ATOM 0 HG12 VAL A 106 0.802 4.045 6.300 1.00 61.51 H new ATOM 0 HG13 VAL A 106 1.204 3.075 4.863 1.00 61.51 H new ATOM 0 HG21 VAL A 106 -1.104 1.012 5.259 1.00 72.14 H new ATOM 0 HG22 VAL A 106 0.560 0.507 4.879 1.00 72.14 H new ATOM 0 HG23 VAL A 106 -0.258 -0.137 6.323 1.00 72.14 H new ATOM 1680 N THR A 107 3.551 3.108 7.903 1.00 41.53 N ATOM 1681 CA THR A 107 4.187 4.138 8.734 1.00 73.43 C ATOM 1682 C THR A 107 4.152 5.489 7.989 1.00 74.11 C ATOM 1683 O THR A 107 4.907 5.688 7.032 1.00 24.11 O ATOM 1684 CB THR A 107 5.666 3.722 9.059 1.00 72.35 C ATOM 1685 OG1 THR A 107 5.696 2.368 9.548 1.00 73.41 O ATOM 1686 CG2 THR A 107 6.325 4.649 10.097 1.00 0.33 C ATOM 0 H THR A 107 4.158 2.744 7.169 1.00 41.53 H new ATOM 0 HA THR A 107 3.644 4.240 9.674 1.00 73.43 H new ATOM 0 HB THR A 107 6.233 3.806 8.132 1.00 72.35 H new ATOM 0 HG1 THR A 107 6.621 2.113 9.748 1.00 73.41 H new ATOM 0 HG21 THR A 107 7.346 4.317 10.285 1.00 0.33 H new ATOM 0 HG22 THR A 107 6.340 5.670 9.715 1.00 0.33 H new ATOM 0 HG23 THR A 107 5.756 4.617 11.026 1.00 0.33 H new ATOM 1694 N GLN A 108 3.258 6.402 8.419 1.00 14.41 N ATOM 1695 CA GLN A 108 3.114 7.733 7.804 1.00 62.42 C ATOM 1696 C GLN A 108 4.097 8.723 8.467 1.00 5.50 C ATOM 1697 O GLN A 108 3.805 9.306 9.518 1.00 62.32 O ATOM 1698 CB GLN A 108 1.645 8.240 7.911 1.00 52.13 C ATOM 1699 CG GLN A 108 1.394 9.593 7.206 1.00 42.34 C ATOM 1700 CD GLN A 108 -0.023 10.154 7.374 1.00 1.12 C ATOM 1701 OE1 GLN A 108 -0.684 9.927 8.388 1.00 44.04 O ATOM 1702 NE2 GLN A 108 -0.501 10.902 6.382 1.00 4.33 N ATOM 0 H GLN A 108 2.620 6.237 9.198 1.00 14.41 H new ATOM 0 HA GLN A 108 3.356 7.660 6.744 1.00 62.42 H new ATOM 0 HB2 GLN A 108 0.980 7.490 7.482 1.00 52.13 H new ATOM 0 HB3 GLN A 108 1.380 8.336 8.964 1.00 52.13 H new ATOM 0 HG2 GLN A 108 2.106 10.324 7.589 1.00 42.34 H new ATOM 0 HG3 GLN A 108 1.599 9.475 6.142 1.00 42.34 H new ATOM 0 HE21 GLN A 108 0.068 11.074 5.553 1.00 4.33 H new ATOM 0 HE22 GLN A 108 -1.436 11.303 6.451 1.00 4.33 H new ATOM 1711 N ASN A 109 5.287 8.834 7.869 1.00 10.33 N ATOM 1712 CA ASN A 109 6.342 9.772 8.291 1.00 44.25 C ATOM 1713 C ASN A 109 6.280 11.051 7.446 1.00 33.40 C ATOM 1714 O ASN A 109 5.660 11.075 6.374 1.00 23.41 O ATOM 1715 CB ASN A 109 7.733 9.097 8.155 1.00 2.52 C ATOM 1716 CG ASN A 109 7.912 7.905 9.101 1.00 20.22 C ATOM 1717 OD1 ASN A 109 7.371 7.882 10.210 1.00 73.31 O ATOM 1718 ND2 ASN A 109 8.667 6.912 8.675 1.00 53.55 N ATOM 0 H ASN A 109 5.553 8.267 7.064 1.00 10.33 H new ATOM 0 HA ASN A 109 6.184 10.041 9.336 1.00 44.25 H new ATOM 0 HB2 ASN A 109 7.870 8.762 7.127 1.00 2.52 H new ATOM 0 HB3 ASN A 109 8.510 9.834 8.356 1.00 2.52 H new ATOM 0 HD21 ASN A 109 8.817 6.095 9.267 1.00 53.55 H new ATOM 0 HD22 ASN A 109 9.101 6.960 7.753 1.00 53.55 H new