USER MOD reduce.3.24.130724 H: found=0, std=0, add=1082, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1085 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 67 CYS SG : rot -119:sc= -1.46 USER MOD Set 1.2: A 71 CYS SG : rot 160:sc= -1 USER MOD Set 1.3: A 98 SER OG : rot 63:sc= 1.42 USER MOD Set 2.1: A 52 THR OG1 : rot -17:sc= 0.583 USER MOD Set 2.2: A 53 ASN : amide:sc= -2.67! K(o=-2.1!,f=0.77) USER MOD Set 3.1: A 22 ASN : amide:sc= -1.22 K(o=-1.2,f=-2.7!) USER MOD Set 3.2: A 26 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00159) USER MOD Single : A 10 ASN : amide:sc= -1.08 K(o=-1.1,f=-0.0098) USER MOD Single : A 11 LYS NZ :NH3+ -161:sc= -0.108 (180deg=-0.479) USER MOD Single : A 12 LYS NZ :NH3+ 147:sc= -0.104 (180deg=-0.385) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 144:sc= -1.4! (180deg=-2.33!) USER MOD Single : A 18 LYS NZ :NH3+ 162:sc= -0.0634 (180deg=-0.388) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 102:sc= 0.858 USER MOD Single : A 35 LYS NZ :NH3+ 167:sc= -0.006 (180deg=-0.172) USER MOD Single : A 36 HIS : no HE2:sc= -1.51 X(o=-1.5,f=-1.7) USER MOD Single : A 37 TYR OH : rot -15:sc= -0.861 USER MOD Single : A 39 LYS NZ :NH3+ -166:sc= -0.0362 (180deg=-0.24) USER MOD Single : A 41 LYS NZ :NH3+ -166:sc=-0.00373 (180deg=-0.186) USER MOD Single : A 46 THR OG1 : rot -0:sc= 1.14 USER MOD Single : A 47 ASN : amide:sc= -6.76! K(o=-6.8!,f=-0.63) USER MOD Single : A 48 MET CE :methyl 137:sc= -2.81! (180deg=-3.96) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -3.04 K(o=-3,f=-6.6!) USER MOD Single : A 58 TYR OH : rot 30:sc= -0.0171 USER MOD Single : A 61 LYS NZ :NH3+ 178:sc= 0.57 (180deg=0.569) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 141:sc= -0.734 (180deg=-2.07!) USER MOD Single : A 73 LYS NZ :NH3+ 161:sc= -0.0436 (180deg=-0.279) USER MOD Single : A 81 ASN : amide:sc= -0.577 K(o=-0.58,f=-1.5) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -1.2 K(o=-1.2,f=-0.16) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= -0.605 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 99 TYR OH : rot 180:sc= 0.53 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ -163:sc= -0.0318 (180deg=-0.289) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 HIS : no HD1:sc= -1.98! C(o=-2!,f=-3.4!) USER MOD Single : A 112 TYR OH : rot -16:sc= -0.88 USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 SER OG : rot 125:sc= -1.04 USER MOD Single : A 119 HIS : no HD1:sc= -0.183 X(o=-0.18,f=-0.18) USER MOD Single : A 121 THR OG1 : rot -160:sc= -0.696 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ -169:sc= -0.0325 (180deg=-0.207) USER MOD Single : A 128 CYS SG : rot 180:sc= -0.612 USER MOD Single : A 129 GLN : amide:sc= -0.0399 K(o=-0.04,f=-1.7!) USER MOD Single : A 130 GLN : amide:sc= -1.51 K(o=-1.5,f=-5.9!) USER MOD Single : A 133 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.118) USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 GLN : amide:sc= -0.425 X(o=-0.43,f=-0.73) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 9 25.806 -5.783 1.504 1.00 1.26 N ATOM 2 CA GLU A 9 24.760 -6.168 0.522 1.00 1.05 C ATOM 3 C GLU A 9 23.659 -5.115 0.465 1.00 0.90 C ATOM 4 O GLU A 9 23.300 -4.520 1.481 1.00 0.98 O ATOM 5 CB GLU A 9 24.163 -7.525 0.898 1.00 1.37 C ATOM 6 CG GLU A 9 23.170 -8.058 -0.122 1.00 2.20 C ATOM 7 CD GLU A 9 23.779 -8.213 -1.500 1.00 2.80 C ATOM 8 OE1 GLU A 9 24.433 -9.247 -1.747 1.00 3.26 O ATOM 9 OE2 GLU A 9 23.606 -7.297 -2.331 1.00 3.20 O ATOM 0 HA GLU A 9 25.222 -6.239 -0.463 1.00 1.05 H new ATOM 0 HB2 GLU A 9 24.971 -8.247 1.018 1.00 1.37 H new ATOM 0 HB3 GLU A 9 23.667 -7.439 1.865 1.00 1.37 H new ATOM 0 HG2 GLU A 9 22.791 -9.023 0.215 1.00 2.20 H new ATOM 0 HG3 GLU A 9 22.316 -7.383 -0.180 1.00 2.20 H new ATOM 18 N ASN A 10 23.129 -4.892 -0.734 1.00 0.79 N ATOM 19 CA ASN A 10 22.071 -3.909 -0.938 1.00 0.66 C ATOM 20 C ASN A 10 20.830 -4.255 -0.125 1.00 0.59 C ATOM 21 O ASN A 10 20.059 -3.373 0.246 1.00 0.53 O ATOM 22 CB ASN A 10 21.709 -3.820 -2.420 1.00 0.62 C ATOM 23 CG ASN A 10 22.860 -3.324 -3.272 1.00 1.14 C ATOM 24 OD1 ASN A 10 23.019 -3.738 -4.418 1.00 1.94 O ATOM 25 ND2 ASN A 10 23.667 -2.427 -2.719 1.00 1.45 N ATOM 0 H ASN A 10 23.417 -5.381 -1.582 1.00 0.79 H new ATOM 0 HA ASN A 10 22.445 -2.943 -0.598 1.00 0.66 H new ATOM 0 HB2 ASN A 10 21.397 -4.803 -2.774 1.00 0.62 H new ATOM 0 HB3 ASN A 10 20.857 -3.152 -2.543 1.00 0.62 H new ATOM 0 HD21 ASN A 10 24.455 -2.055 -3.249 1.00 1.45 H new ATOM 0 HD22 ASN A 10 23.499 -2.110 -1.764 1.00 1.45 H new ATOM 32 N LYS A 11 20.640 -5.544 0.144 1.00 0.63 N ATOM 33 CA LYS A 11 19.490 -6.002 0.917 1.00 0.62 C ATOM 34 C LYS A 11 19.460 -5.333 2.285 1.00 0.62 C ATOM 35 O LYS A 11 18.424 -4.828 2.720 1.00 0.58 O ATOM 36 CB LYS A 11 19.531 -7.521 1.084 1.00 0.71 C ATOM 37 CG LYS A 11 19.424 -8.281 -0.227 1.00 0.79 C ATOM 38 CD LYS A 11 19.581 -9.777 -0.014 1.00 1.12 C ATOM 39 CE LYS A 11 19.332 -10.554 -1.297 1.00 1.50 C ATOM 40 NZ LYS A 11 17.974 -10.297 -1.847 1.00 2.19 N ATOM 0 H LYS A 11 21.267 -6.289 -0.161 1.00 0.63 H new ATOM 0 HA LYS A 11 18.586 -5.728 0.374 1.00 0.62 H new ATOM 0 HB2 LYS A 11 20.461 -7.798 1.580 1.00 0.71 H new ATOM 0 HB3 LYS A 11 18.716 -7.828 1.740 1.00 0.71 H new ATOM 0 HG2 LYS A 11 18.458 -8.077 -0.690 1.00 0.79 H new ATOM 0 HG3 LYS A 11 20.190 -7.928 -0.918 1.00 0.79 H new ATOM 0 HD2 LYS A 11 20.586 -9.990 0.352 1.00 1.12 H new ATOM 0 HD3 LYS A 11 18.885 -10.111 0.755 1.00 1.12 H new ATOM 0 HE2 LYS A 11 20.082 -10.280 -2.039 1.00 1.50 H new ATOM 0 HE3 LYS A 11 19.450 -11.620 -1.104 1.00 1.50 H new ATOM 0 HZ1 LYS A 11 17.719 -11.056 -2.510 1.00 2.19 H new ATOM 0 HZ2 LYS A 11 17.284 -10.270 -1.069 1.00 2.19 H new ATOM 0 HZ3 LYS A 11 17.969 -9.385 -2.346 1.00 2.19 H new ATOM 54 N LYS A 12 20.607 -5.335 2.957 1.00 0.70 N ATOM 55 CA LYS A 12 20.724 -4.727 4.276 1.00 0.74 C ATOM 56 C LYS A 12 20.482 -3.225 4.205 1.00 0.66 C ATOM 57 O LYS A 12 19.677 -2.681 4.961 1.00 0.63 O ATOM 58 CB LYS A 12 22.106 -5.006 4.868 1.00 0.90 C ATOM 59 CG LYS A 12 22.218 -6.367 5.532 1.00 1.54 C ATOM 60 CD LYS A 12 21.468 -6.403 6.853 1.00 2.02 C ATOM 61 CE LYS A 12 21.482 -7.796 7.457 1.00 2.38 C ATOM 62 NZ LYS A 12 22.853 -8.373 7.487 1.00 2.83 N ATOM 0 H LYS A 12 21.470 -5.752 2.608 1.00 0.70 H new ATOM 0 HA LYS A 12 19.965 -5.169 4.921 1.00 0.74 H new ATOM 0 HB2 LYS A 12 22.852 -4.934 4.077 1.00 0.90 H new ATOM 0 HB3 LYS A 12 22.342 -4.233 5.600 1.00 0.90 H new ATOM 0 HG2 LYS A 12 21.821 -7.132 4.865 1.00 1.54 H new ATOM 0 HG3 LYS A 12 23.268 -6.606 5.701 1.00 1.54 H new ATOM 0 HD2 LYS A 12 21.920 -5.697 7.550 1.00 2.02 H new ATOM 0 HD3 LYS A 12 20.438 -6.082 6.698 1.00 2.02 H new ATOM 0 HE2 LYS A 12 21.082 -7.757 8.470 1.00 2.38 H new ATOM 0 HE3 LYS A 12 20.826 -8.448 6.881 1.00 2.38 H new ATOM 0 HZ1 LYS A 12 22.955 -8.982 8.324 1.00 2.83 H new ATOM 0 HZ2 LYS A 12 23.011 -8.937 6.628 1.00 2.83 H new ATOM 0 HZ3 LYS A 12 23.552 -7.604 7.530 1.00 2.83 H new ATOM 76 N GLN A 13 21.185 -2.559 3.293 1.00 0.64 N ATOM 77 CA GLN A 13 21.039 -1.120 3.125 1.00 0.59 C ATOM 78 C GLN A 13 19.608 -0.763 2.754 1.00 0.50 C ATOM 79 O GLN A 13 19.129 0.323 3.073 1.00 0.49 O ATOM 80 CB GLN A 13 21.992 -0.601 2.052 1.00 0.62 C ATOM 81 CG GLN A 13 23.397 -0.343 2.557 1.00 0.90 C ATOM 82 CD GLN A 13 24.200 0.515 1.603 1.00 1.51 C ATOM 83 OE1 GLN A 13 24.861 0.007 0.699 1.00 2.07 O ATOM 84 NE2 GLN A 13 24.142 1.825 1.798 1.00 2.26 N ATOM 0 H GLN A 13 21.859 -2.993 2.662 1.00 0.64 H new ATOM 0 HA GLN A 13 21.286 -0.647 4.076 1.00 0.59 H new ATOM 0 HB2 GLN A 13 22.036 -1.324 1.237 1.00 0.62 H new ATOM 0 HB3 GLN A 13 21.589 0.323 1.637 1.00 0.62 H new ATOM 0 HG2 GLN A 13 23.347 0.147 3.529 1.00 0.90 H new ATOM 0 HG3 GLN A 13 23.908 -1.294 2.705 1.00 0.90 H new ATOM 0 HE21 GLN A 13 23.580 2.203 2.561 1.00 2.26 H new ATOM 0 HE22 GLN A 13 24.659 2.455 1.185 1.00 2.26 H new ATOM 93 N ALA A 14 18.933 -1.684 2.076 1.00 0.46 N ATOM 94 CA ALA A 14 17.554 -1.467 1.666 1.00 0.38 C ATOM 95 C ALA A 14 16.661 -1.314 2.887 1.00 0.39 C ATOM 96 O ALA A 14 15.725 -0.514 2.894 1.00 0.36 O ATOM 97 CB ALA A 14 17.075 -2.613 0.789 1.00 0.36 C ATOM 0 H ALA A 14 19.319 -2.587 1.800 1.00 0.46 H new ATOM 0 HA ALA A 14 17.502 -0.547 1.083 1.00 0.38 H new ATOM 0 HB1 ALA A 14 16.042 -2.436 0.491 1.00 0.36 H new ATOM 0 HB2 ALA A 14 17.703 -2.678 -0.099 1.00 0.36 H new ATOM 0 HB3 ALA A 14 17.136 -3.548 1.346 1.00 0.36 H new ATOM 103 N LEU A 15 16.962 -2.092 3.921 1.00 0.45 N ATOM 104 CA LEU A 15 16.208 -2.039 5.164 1.00 0.47 C ATOM 105 C LEU A 15 16.432 -0.687 5.829 1.00 0.49 C ATOM 106 O LEU A 15 15.526 -0.117 6.436 1.00 0.49 O ATOM 107 CB LEU A 15 16.652 -3.179 6.092 1.00 0.54 C ATOM 108 CG LEU A 15 15.601 -3.688 7.091 1.00 1.13 C ATOM 109 CD1 LEU A 15 15.275 -2.625 8.128 1.00 1.98 C ATOM 110 CD2 LEU A 15 14.337 -4.134 6.369 1.00 1.31 C ATOM 0 H LEU A 15 17.726 -2.768 3.921 1.00 0.45 H new ATOM 0 HA LEU A 15 15.145 -2.160 4.956 1.00 0.47 H new ATOM 0 HB2 LEU A 15 16.973 -4.018 5.475 1.00 0.54 H new ATOM 0 HB3 LEU A 15 17.524 -2.844 6.653 1.00 0.54 H new ATOM 0 HG LEU A 15 16.023 -4.550 7.608 1.00 1.13 H new ATOM 0 HD11 LEU A 15 14.529 -3.011 8.823 1.00 1.98 H new ATOM 0 HD12 LEU A 15 16.180 -2.362 8.676 1.00 1.98 H new ATOM 0 HD13 LEU A 15 14.883 -1.739 7.630 1.00 1.98 H new ATOM 0 HD21 LEU A 15 13.608 -4.490 7.097 1.00 1.31 H new ATOM 0 HD22 LEU A 15 13.917 -3.293 5.817 1.00 1.31 H new ATOM 0 HD23 LEU A 15 14.579 -4.939 5.675 1.00 1.31 H new ATOM 122 N LYS A 16 17.653 -0.175 5.690 1.00 0.51 N ATOM 123 CA LYS A 16 18.018 1.115 6.260 1.00 0.54 C ATOM 124 C LYS A 16 17.369 2.250 5.474 1.00 0.48 C ATOM 125 O LYS A 16 16.974 3.265 6.047 1.00 0.49 O ATOM 126 CB LYS A 16 19.539 1.280 6.263 1.00 0.62 C ATOM 127 CG LYS A 16 20.014 2.587 6.878 1.00 0.79 C ATOM 128 CD LYS A 16 21.530 2.634 6.970 1.00 1.64 C ATOM 129 CE LYS A 16 22.015 3.946 7.565 1.00 1.89 C ATOM 130 NZ LYS A 16 21.540 5.118 6.783 1.00 2.88 N ATOM 0 H LYS A 16 18.408 -0.638 5.184 1.00 0.51 H new ATOM 0 HA LYS A 16 17.657 1.153 7.288 1.00 0.54 H new ATOM 0 HB2 LYS A 16 19.984 0.449 6.810 1.00 0.62 H new ATOM 0 HB3 LYS A 16 19.904 1.218 5.238 1.00 0.62 H new ATOM 0 HG2 LYS A 16 19.658 3.424 6.278 1.00 0.79 H new ATOM 0 HG3 LYS A 16 19.583 2.701 7.873 1.00 0.79 H new ATOM 0 HD2 LYS A 16 21.884 1.804 7.582 1.00 1.64 H new ATOM 0 HD3 LYS A 16 21.959 2.504 5.977 1.00 1.64 H new ATOM 0 HE2 LYS A 16 21.665 4.030 8.594 1.00 1.89 H new ATOM 0 HE3 LYS A 16 23.104 3.949 7.598 1.00 1.89 H new ATOM 0 HZ1 LYS A 16 21.330 5.905 7.430 1.00 2.88 H new ATOM 0 HZ2 LYS A 16 22.279 5.410 6.111 1.00 2.88 H new ATOM 0 HZ3 LYS A 16 20.679 4.860 6.260 1.00 2.88 H new ATOM 144 N GLU A 17 17.263 2.072 4.159 1.00 0.42 N ATOM 145 CA GLU A 17 16.652 3.079 3.302 1.00 0.38 C ATOM 146 C GLU A 17 15.164 3.192 3.601 1.00 0.35 C ATOM 147 O GLU A 17 14.579 4.269 3.497 1.00 0.34 O ATOM 148 CB GLU A 17 16.870 2.741 1.826 1.00 0.35 C ATOM 149 CG GLU A 17 18.313 2.891 1.372 1.00 0.39 C ATOM 150 CD GLU A 17 18.854 4.288 1.607 1.00 0.42 C ATOM 151 OE1 GLU A 17 18.419 5.220 0.898 1.00 0.39 O ATOM 152 OE2 GLU A 17 19.709 4.451 2.502 1.00 0.54 O ATOM 0 H GLU A 17 17.592 1.241 3.667 1.00 0.42 H new ATOM 0 HA GLU A 17 17.128 4.038 3.508 1.00 0.38 H new ATOM 0 HB2 GLU A 17 16.546 1.716 1.645 1.00 0.35 H new ATOM 0 HB3 GLU A 17 16.238 3.387 1.217 1.00 0.35 H new ATOM 0 HG2 GLU A 17 18.934 2.170 1.903 1.00 0.39 H new ATOM 0 HG3 GLU A 17 18.383 2.651 0.311 1.00 0.39 H new ATOM 159 N LYS A 18 14.555 2.068 3.970 1.00 0.34 N ATOM 160 CA LYS A 18 13.137 2.047 4.303 1.00 0.34 C ATOM 161 C LYS A 18 12.901 2.828 5.587 1.00 0.40 C ATOM 162 O LYS A 18 11.876 3.490 5.746 1.00 0.41 O ATOM 163 CB LYS A 18 12.639 0.611 4.468 1.00 0.34 C ATOM 164 CG LYS A 18 11.142 0.515 4.719 1.00 0.33 C ATOM 165 CD LYS A 18 10.728 -0.883 5.154 1.00 0.36 C ATOM 166 CE LYS A 18 11.232 -1.209 6.551 1.00 0.50 C ATOM 167 NZ LYS A 18 10.646 -0.305 7.577 1.00 0.80 N ATOM 0 H LYS A 18 15.021 1.164 4.045 1.00 0.34 H new ATOM 0 HA LYS A 18 12.582 2.511 3.488 1.00 0.34 H new ATOM 0 HB2 LYS A 18 12.886 0.043 3.571 1.00 0.34 H new ATOM 0 HB3 LYS A 18 13.170 0.144 5.298 1.00 0.34 H new ATOM 0 HG2 LYS A 18 10.856 1.234 5.487 1.00 0.33 H new ATOM 0 HG3 LYS A 18 10.604 0.787 3.811 1.00 0.33 H new ATOM 0 HD2 LYS A 18 9.641 -0.965 5.131 1.00 0.36 H new ATOM 0 HD3 LYS A 18 11.118 -1.615 4.446 1.00 0.36 H new ATOM 0 HE2 LYS A 18 10.985 -2.242 6.794 1.00 0.50 H new ATOM 0 HE3 LYS A 18 12.319 -1.127 6.573 1.00 0.50 H new ATOM 0 HZ1 LYS A 18 10.759 -0.730 8.519 1.00 0.80 H new ATOM 0 HZ2 LYS A 18 11.134 0.613 7.550 1.00 0.80 H new ATOM 0 HZ3 LYS A 18 9.634 -0.165 7.380 1.00 0.80 H new ATOM 181 N GLU A 19 13.863 2.740 6.501 1.00 0.46 N ATOM 182 CA GLU A 19 13.779 3.446 7.771 1.00 0.52 C ATOM 183 C GLU A 19 14.123 4.916 7.579 1.00 0.50 C ATOM 184 O GLU A 19 13.602 5.780 8.282 1.00 0.53 O ATOM 185 CB GLU A 19 14.713 2.810 8.798 1.00 0.58 C ATOM 186 CG GLU A 19 14.361 1.366 9.111 1.00 0.63 C ATOM 187 CD GLU A 19 15.205 0.790 10.227 1.00 1.32 C ATOM 188 OE1 GLU A 19 14.802 0.918 11.402 1.00 1.29 O ATOM 189 OE2 GLU A 19 16.269 0.211 9.926 1.00 2.32 O ATOM 0 H GLU A 19 14.711 2.185 6.383 1.00 0.46 H new ATOM 0 HA GLU A 19 12.757 3.373 8.143 1.00 0.52 H new ATOM 0 HB2 GLU A 19 15.737 2.856 8.426 1.00 0.58 H new ATOM 0 HB3 GLU A 19 14.682 3.393 9.719 1.00 0.58 H new ATOM 0 HG2 GLU A 19 13.308 1.304 9.388 1.00 0.63 H new ATOM 0 HG3 GLU A 19 14.491 0.762 8.213 1.00 0.63 H new ATOM 196 N LEU A 20 15.010 5.192 6.626 1.00 0.47 N ATOM 197 CA LEU A 20 15.399 6.563 6.328 1.00 0.46 C ATOM 198 C LEU A 20 14.221 7.296 5.710 1.00 0.43 C ATOM 199 O LEU A 20 13.988 8.473 5.985 1.00 0.45 O ATOM 200 CB LEU A 20 16.599 6.597 5.376 1.00 0.45 C ATOM 201 CG LEU A 20 17.947 6.916 6.031 1.00 0.53 C ATOM 202 CD1 LEU A 20 17.926 8.302 6.658 1.00 0.58 C ATOM 203 CD2 LEU A 20 18.300 5.866 7.073 1.00 0.60 C ATOM 0 H LEU A 20 15.470 4.486 6.051 1.00 0.47 H new ATOM 0 HA LEU A 20 15.691 7.055 7.256 1.00 0.46 H new ATOM 0 HB2 LEU A 20 16.675 5.630 4.879 1.00 0.45 H new ATOM 0 HB3 LEU A 20 16.406 7.339 4.601 1.00 0.45 H new ATOM 0 HG LEU A 20 18.713 6.902 5.255 1.00 0.53 H new ATOM 0 HD11 LEU A 20 18.893 8.508 7.117 1.00 0.58 H new ATOM 0 HD12 LEU A 20 17.724 9.047 5.888 1.00 0.58 H new ATOM 0 HD13 LEU A 20 17.146 8.346 7.418 1.00 0.58 H new ATOM 0 HD21 LEU A 20 19.261 6.111 7.526 1.00 0.60 H new ATOM 0 HD22 LEU A 20 17.530 5.845 7.844 1.00 0.60 H new ATOM 0 HD23 LEU A 20 18.363 4.888 6.597 1.00 0.60 H new ATOM 215 N GLY A 21 13.480 6.580 4.871 1.00 0.39 N ATOM 216 CA GLY A 21 12.314 7.154 4.238 1.00 0.37 C ATOM 217 C GLY A 21 11.163 7.243 5.211 1.00 0.40 C ATOM 218 O GLY A 21 10.406 8.210 5.205 1.00 0.41 O ATOM 0 H GLY A 21 13.669 5.610 4.620 1.00 0.39 H new ATOM 0 HA2 GLY A 21 12.553 8.148 3.859 1.00 0.37 H new ATOM 0 HA3 GLY A 21 12.025 6.547 3.380 1.00 0.37 H new ATOM 222 N ASN A 22 11.039 6.224 6.056 1.00 0.43 N ATOM 223 CA ASN A 22 9.987 6.190 7.061 1.00 0.47 C ATOM 224 C ASN A 22 10.196 7.318 8.058 1.00 0.53 C ATOM 225 O ASN A 22 9.240 7.915 8.550 1.00 0.56 O ATOM 226 CB ASN A 22 9.982 4.843 7.787 1.00 0.52 C ATOM 227 CG ASN A 22 8.678 4.584 8.516 1.00 0.59 C ATOM 228 OD1 ASN A 22 7.982 5.515 8.917 1.00 1.27 O ATOM 229 ND2 ASN A 22 8.341 3.313 8.691 1.00 1.23 N ATOM 0 H ASN A 22 11.655 5.411 6.063 1.00 0.43 H new ATOM 0 HA ASN A 22 9.024 6.319 6.567 1.00 0.47 H new ATOM 0 HB2 ASN A 22 10.157 4.044 7.066 1.00 0.52 H new ATOM 0 HB3 ASN A 22 10.806 4.815 8.500 1.00 0.52 H new ATOM 0 HD21 ASN A 22 7.475 3.077 9.175 1.00 1.23 H new ATOM 0 HD22 ASN A 22 8.948 2.572 8.342 1.00 1.23 H new ATOM 236 N ASP A 23 11.461 7.606 8.345 1.00 0.54 N ATOM 237 CA ASP A 23 11.812 8.671 9.271 1.00 0.59 C ATOM 238 C ASP A 23 11.371 10.012 8.703 1.00 0.58 C ATOM 239 O ASP A 23 10.792 10.839 9.407 1.00 0.62 O ATOM 240 CB ASP A 23 13.320 8.672 9.531 1.00 0.61 C ATOM 241 CG ASP A 23 13.727 9.680 10.586 1.00 0.74 C ATOM 242 OD1 ASP A 23 13.723 9.321 11.783 1.00 0.93 O ATOM 243 OD2 ASP A 23 14.051 10.828 10.216 1.00 0.79 O ATOM 0 H ASP A 23 12.261 7.114 7.947 1.00 0.54 H new ATOM 0 HA ASP A 23 11.300 8.502 10.218 1.00 0.59 H new ATOM 0 HB2 ASP A 23 13.632 7.676 9.846 1.00 0.61 H new ATOM 0 HB3 ASP A 23 13.845 8.892 8.602 1.00 0.61 H new ATOM 248 N ALA A 24 11.648 10.215 7.418 1.00 0.53 N ATOM 249 CA ALA A 24 11.264 11.442 6.737 1.00 0.53 C ATOM 250 C ALA A 24 9.764 11.435 6.464 1.00 0.53 C ATOM 251 O ALA A 24 9.156 12.478 6.222 1.00 0.58 O ATOM 252 CB ALA A 24 12.047 11.594 5.441 1.00 0.49 C ATOM 0 H ALA A 24 12.138 9.542 6.829 1.00 0.53 H new ATOM 0 HA ALA A 24 11.498 12.293 7.377 1.00 0.53 H new ATOM 0 HB1 ALA A 24 11.749 12.516 4.942 1.00 0.49 H new ATOM 0 HB2 ALA A 24 13.114 11.629 5.662 1.00 0.49 H new ATOM 0 HB3 ALA A 24 11.840 10.746 4.789 1.00 0.49 H new ATOM 258 N TYR A 25 9.178 10.241 6.511 1.00 0.48 N ATOM 259 CA TYR A 25 7.749 10.068 6.280 1.00 0.49 C ATOM 260 C TYR A 25 6.953 10.561 7.486 1.00 0.59 C ATOM 261 O TYR A 25 5.827 11.040 7.347 1.00 0.63 O ATOM 262 CB TYR A 25 7.443 8.592 6.006 1.00 0.46 C ATOM 263 CG TYR A 25 5.985 8.301 5.728 1.00 0.48 C ATOM 264 CD1 TYR A 25 5.461 8.447 4.451 1.00 0.40 C ATOM 265 CD2 TYR A 25 5.137 7.872 6.742 1.00 0.64 C ATOM 266 CE1 TYR A 25 4.132 8.176 4.191 1.00 0.45 C ATOM 267 CE2 TYR A 25 3.807 7.597 6.489 1.00 0.68 C ATOM 268 CZ TYR A 25 3.309 7.751 5.213 1.00 0.54 C ATOM 269 OH TYR A 25 1.985 7.477 4.957 1.00 0.63 O ATOM 0 H TYR A 25 9.677 9.374 6.709 1.00 0.48 H new ATOM 0 HA TYR A 25 7.456 10.657 5.411 1.00 0.49 H new ATOM 0 HB2 TYR A 25 8.036 8.262 5.153 1.00 0.46 H new ATOM 0 HB3 TYR A 25 7.762 8.001 6.864 1.00 0.46 H new ATOM 0 HD1 TYR A 25 6.103 8.778 3.648 1.00 0.40 H new ATOM 0 HD2 TYR A 25 5.524 7.752 7.743 1.00 0.64 H new ATOM 0 HE1 TYR A 25 3.739 8.296 3.192 1.00 0.45 H new ATOM 0 HE2 TYR A 25 3.161 7.263 7.287 1.00 0.68 H new ATOM 0 HH TYR A 25 1.545 7.188 5.784 1.00 0.63 H new ATOM 279 N LYS A 26 7.550 10.436 8.668 1.00 0.65 N ATOM 280 CA LYS A 26 6.912 10.874 9.905 1.00 0.77 C ATOM 281 C LYS A 26 7.116 12.372 10.114 1.00 0.81 C ATOM 282 O LYS A 26 6.452 12.989 10.947 1.00 0.94 O ATOM 283 CB LYS A 26 7.492 10.114 11.102 1.00 0.82 C ATOM 284 CG LYS A 26 7.368 8.603 11.001 1.00 0.86 C ATOM 285 CD LYS A 26 8.165 7.914 12.097 1.00 1.03 C ATOM 286 CE LYS A 26 8.259 6.415 11.865 1.00 0.90 C ATOM 287 NZ LYS A 26 6.926 5.755 11.932 1.00 1.62 N ATOM 0 H LYS A 26 8.478 10.033 8.795 1.00 0.65 H new ATOM 0 HA LYS A 26 5.845 10.666 9.826 1.00 0.77 H new ATOM 0 HB2 LYS A 26 8.545 10.374 11.208 1.00 0.82 H new ATOM 0 HB3 LYS A 26 6.988 10.449 12.009 1.00 0.82 H new ATOM 0 HG2 LYS A 26 6.319 8.315 11.074 1.00 0.86 H new ATOM 0 HG3 LYS A 26 7.722 8.270 10.025 1.00 0.86 H new ATOM 0 HD2 LYS A 26 9.168 8.339 12.140 1.00 1.03 H new ATOM 0 HD3 LYS A 26 7.696 8.104 13.062 1.00 1.03 H new ATOM 0 HE2 LYS A 26 8.708 6.227 10.890 1.00 0.90 H new ATOM 0 HE3 LYS A 26 8.920 5.974 12.611 1.00 0.90 H new ATOM 0 HZ1 LYS A 26 7.038 4.731 11.785 1.00 1.62 H new ATOM 0 HZ2 LYS A 26 6.500 5.927 12.865 1.00 1.62 H new ATOM 0 HZ3 LYS A 26 6.308 6.145 11.192 1.00 1.62 H new ATOM 301 N LYS A 27 8.039 12.950 9.351 1.00 0.75 N ATOM 302 CA LYS A 27 8.348 14.371 9.467 1.00 0.80 C ATOM 303 C LYS A 27 7.758 15.173 8.310 1.00 0.79 C ATOM 304 O LYS A 27 8.281 16.228 7.947 1.00 0.84 O ATOM 305 CB LYS A 27 9.862 14.566 9.527 1.00 0.80 C ATOM 306 CG LYS A 27 10.518 13.788 10.657 1.00 1.16 C ATOM 307 CD LYS A 27 12.028 13.725 10.498 1.00 1.58 C ATOM 308 CE LYS A 27 12.673 15.079 10.732 1.00 1.93 C ATOM 309 NZ LYS A 27 14.150 15.023 10.564 1.00 2.31 N ATOM 0 H LYS A 27 8.586 12.456 8.646 1.00 0.75 H new ATOM 0 HA LYS A 27 7.895 14.741 10.387 1.00 0.80 H new ATOM 0 HB2 LYS A 27 10.300 14.257 8.578 1.00 0.80 H new ATOM 0 HB3 LYS A 27 10.081 15.627 9.649 1.00 0.80 H new ATOM 0 HG2 LYS A 27 10.272 14.256 11.610 1.00 1.16 H new ATOM 0 HG3 LYS A 27 10.113 12.776 10.684 1.00 1.16 H new ATOM 0 HD2 LYS A 27 12.438 13.000 11.201 1.00 1.58 H new ATOM 0 HD3 LYS A 27 12.274 13.373 9.496 1.00 1.58 H new ATOM 0 HE2 LYS A 27 12.255 15.806 10.036 1.00 1.93 H new ATOM 0 HE3 LYS A 27 12.434 15.427 11.737 1.00 1.93 H new ATOM 0 HZ1 LYS A 27 14.554 15.966 10.732 1.00 2.31 H new ATOM 0 HZ2 LYS A 27 14.552 14.348 11.246 1.00 2.31 H new ATOM 0 HZ3 LYS A 27 14.378 14.716 9.597 1.00 2.31 H new ATOM 323 N LYS A 28 6.672 14.661 7.734 1.00 0.77 N ATOM 324 CA LYS A 28 5.987 15.329 6.626 1.00 0.80 C ATOM 325 C LYS A 28 6.859 15.414 5.374 1.00 0.71 C ATOM 326 O LYS A 28 6.415 15.915 4.341 1.00 0.75 O ATOM 327 CB LYS A 28 5.546 16.733 7.043 1.00 0.96 C ATOM 328 CG LYS A 28 4.632 16.753 8.257 1.00 1.07 C ATOM 329 CD LYS A 28 3.236 16.270 7.910 1.00 1.24 C ATOM 330 CE LYS A 28 2.283 16.450 9.079 1.00 1.77 C ATOM 331 NZ LYS A 28 0.892 16.056 8.726 1.00 2.39 N ATOM 0 H LYS A 28 6.244 13.780 8.018 1.00 0.77 H new ATOM 0 HA LYS A 28 5.113 14.726 6.381 1.00 0.80 H new ATOM 0 HB2 LYS A 28 6.430 17.333 7.256 1.00 0.96 H new ATOM 0 HB3 LYS A 28 5.033 17.206 6.206 1.00 0.96 H new ATOM 0 HG2 LYS A 28 5.052 16.122 9.040 1.00 1.07 H new ATOM 0 HG3 LYS A 28 4.579 17.766 8.657 1.00 1.07 H new ATOM 0 HD2 LYS A 28 2.863 16.820 7.046 1.00 1.24 H new ATOM 0 HD3 LYS A 28 3.273 15.218 7.627 1.00 1.24 H new ATOM 0 HE2 LYS A 28 2.627 15.852 9.923 1.00 1.77 H new ATOM 0 HE3 LYS A 28 2.295 17.492 9.400 1.00 1.77 H new ATOM 0 HZ1 LYS A 28 0.273 16.193 9.550 1.00 2.39 H new ATOM 0 HZ2 LYS A 28 0.554 16.644 7.937 1.00 2.39 H new ATOM 0 HZ3 LYS A 28 0.876 15.055 8.444 1.00 2.39 H new ATOM 345 N ASP A 29 8.095 14.933 5.463 1.00 0.64 N ATOM 346 CA ASP A 29 9.003 14.959 4.321 1.00 0.59 C ATOM 347 C ASP A 29 8.708 13.784 3.394 1.00 0.50 C ATOM 348 O ASP A 29 9.508 12.858 3.267 1.00 0.47 O ATOM 349 CB ASP A 29 10.459 14.918 4.793 1.00 0.60 C ATOM 350 CG ASP A 29 11.276 16.074 4.250 1.00 0.93 C ATOM 351 OD1 ASP A 29 11.344 16.223 3.013 1.00 1.62 O ATOM 352 OD2 ASP A 29 11.845 16.831 5.063 1.00 1.39 O ATOM 0 H ASP A 29 8.490 14.522 6.309 1.00 0.64 H new ATOM 0 HA ASP A 29 8.849 15.887 3.771 1.00 0.59 H new ATOM 0 HB2 ASP A 29 10.485 14.938 5.882 1.00 0.60 H new ATOM 0 HB3 ASP A 29 10.913 13.978 4.481 1.00 0.60 H new ATOM 357 N PHE A 30 7.548 13.834 2.749 1.00 0.49 N ATOM 358 CA PHE A 30 7.119 12.771 1.848 1.00 0.44 C ATOM 359 C PHE A 30 8.024 12.664 0.625 1.00 0.42 C ATOM 360 O PHE A 30 8.212 11.576 0.083 1.00 0.43 O ATOM 361 CB PHE A 30 5.670 13.001 1.426 1.00 0.45 C ATOM 362 CG PHE A 30 4.726 13.054 2.593 1.00 0.50 C ATOM 363 CD1 PHE A 30 4.475 11.918 3.347 1.00 0.52 C ATOM 364 CD2 PHE A 30 4.100 14.239 2.943 1.00 0.64 C ATOM 365 CE1 PHE A 30 3.615 11.964 4.428 1.00 0.58 C ATOM 366 CE2 PHE A 30 3.237 14.290 4.021 1.00 0.71 C ATOM 367 CZ PHE A 30 2.995 13.151 4.765 1.00 0.66 C ATOM 0 H PHE A 30 6.885 14.604 2.834 1.00 0.49 H new ATOM 0 HA PHE A 30 7.191 11.826 2.386 1.00 0.44 H new ATOM 0 HB2 PHE A 30 5.603 13.935 0.867 1.00 0.45 H new ATOM 0 HB3 PHE A 30 5.362 12.203 0.751 1.00 0.45 H new ATOM 0 HD1 PHE A 30 4.957 10.987 3.087 1.00 0.52 H new ATOM 0 HD2 PHE A 30 4.288 15.133 2.367 1.00 0.64 H new ATOM 0 HE1 PHE A 30 3.428 11.073 5.008 1.00 0.58 H new ATOM 0 HE2 PHE A 30 2.752 15.219 4.282 1.00 0.71 H new ATOM 0 HZ PHE A 30 2.322 13.189 5.609 1.00 0.66 H new ATOM 377 N ASP A 31 8.577 13.790 0.186 1.00 0.46 N ATOM 378 CA ASP A 31 9.471 13.786 -0.966 1.00 0.48 C ATOM 379 C ASP A 31 10.731 12.993 -0.649 1.00 0.44 C ATOM 380 O ASP A 31 11.101 12.072 -1.379 1.00 0.42 O ATOM 381 CB ASP A 31 9.842 15.212 -1.372 1.00 0.57 C ATOM 382 CG ASP A 31 8.786 15.857 -2.245 1.00 1.30 C ATOM 383 OD1 ASP A 31 8.836 15.661 -3.477 1.00 1.93 O ATOM 384 OD2 ASP A 31 7.909 16.558 -1.698 1.00 1.61 O ATOM 0 H ASP A 31 8.424 14.707 0.605 1.00 0.46 H new ATOM 0 HA ASP A 31 8.951 13.314 -1.799 1.00 0.48 H new ATOM 0 HB2 ASP A 31 9.987 15.816 -0.476 1.00 0.57 H new ATOM 0 HB3 ASP A 31 10.792 15.199 -1.905 1.00 0.57 H new ATOM 389 N THR A 32 11.384 13.357 0.450 1.00 0.45 N ATOM 390 CA THR A 32 12.597 12.677 0.878 1.00 0.45 C ATOM 391 C THR A 32 12.285 11.235 1.263 1.00 0.39 C ATOM 392 O THR A 32 13.092 10.332 1.047 1.00 0.38 O ATOM 393 CB THR A 32 13.249 13.395 2.076 1.00 0.50 C ATOM 394 OG1 THR A 32 13.476 14.773 1.758 1.00 0.57 O ATOM 395 CG2 THR A 32 14.568 12.737 2.451 1.00 0.52 C ATOM 0 H THR A 32 11.091 14.120 1.060 1.00 0.45 H new ATOM 0 HA THR A 32 13.296 12.691 0.042 1.00 0.45 H new ATOM 0 HB THR A 32 12.569 13.323 2.925 1.00 0.50 H new ATOM 0 HG1 THR A 32 12.781 15.324 2.175 1.00 0.57 H new ATOM 0 HG21 THR A 32 15.008 13.262 3.299 1.00 0.52 H new ATOM 0 HG22 THR A 32 14.391 11.696 2.721 1.00 0.52 H new ATOM 0 HG23 THR A 32 15.251 12.781 1.603 1.00 0.52 H new ATOM 403 N ALA A 33 11.098 11.032 1.826 1.00 0.38 N ATOM 404 CA ALA A 33 10.660 9.706 2.241 1.00 0.36 C ATOM 405 C ALA A 33 10.547 8.773 1.044 1.00 0.30 C ATOM 406 O ALA A 33 11.049 7.650 1.067 1.00 0.28 O ATOM 407 CB ALA A 33 9.325 9.795 2.965 1.00 0.39 C ATOM 0 H ALA A 33 10.420 11.773 2.005 1.00 0.38 H new ATOM 0 HA ALA A 33 11.406 9.299 2.923 1.00 0.36 H new ATOM 0 HB1 ALA A 33 9.009 8.797 3.270 1.00 0.39 H new ATOM 0 HB2 ALA A 33 9.431 10.427 3.847 1.00 0.39 H new ATOM 0 HB3 ALA A 33 8.577 10.224 2.298 1.00 0.39 H new ATOM 413 N LEU A 34 9.884 9.251 -0.002 1.00 0.29 N ATOM 414 CA LEU A 34 9.699 8.470 -1.217 1.00 0.26 C ATOM 415 C LEU A 34 11.039 8.246 -1.903 1.00 0.26 C ATOM 416 O LEU A 34 11.228 7.259 -2.612 1.00 0.26 O ATOM 417 CB LEU A 34 8.723 9.191 -2.160 1.00 0.28 C ATOM 418 CG LEU A 34 8.082 8.341 -3.271 1.00 0.33 C ATOM 419 CD1 LEU A 34 9.015 8.211 -4.464 1.00 0.81 C ATOM 420 CD2 LEU A 34 7.685 6.963 -2.754 1.00 0.53 C ATOM 0 H LEU A 34 9.464 10.180 -0.032 1.00 0.29 H new ATOM 0 HA LEU A 34 9.278 7.499 -0.957 1.00 0.26 H new ATOM 0 HB2 LEU A 34 7.924 9.623 -1.558 1.00 0.28 H new ATOM 0 HB3 LEU A 34 9.252 10.021 -2.629 1.00 0.28 H new ATOM 0 HG LEU A 34 7.177 8.855 -3.596 1.00 0.33 H new ATOM 0 HD11 LEU A 34 8.538 7.606 -5.235 1.00 0.81 H new ATOM 0 HD12 LEU A 34 9.234 9.201 -4.864 1.00 0.81 H new ATOM 0 HD13 LEU A 34 9.943 7.733 -4.150 1.00 0.81 H new ATOM 0 HD21 LEU A 34 7.235 6.387 -3.562 1.00 0.53 H new ATOM 0 HD22 LEU A 34 8.570 6.443 -2.387 1.00 0.53 H new ATOM 0 HD23 LEU A 34 6.966 7.072 -1.942 1.00 0.53 H new ATOM 432 N LYS A 35 11.970 9.167 -1.680 1.00 0.31 N ATOM 433 CA LYS A 35 13.298 9.067 -2.270 1.00 0.33 C ATOM 434 C LYS A 35 14.050 7.873 -1.692 1.00 0.29 C ATOM 435 O LYS A 35 14.602 7.058 -2.432 1.00 0.30 O ATOM 436 CB LYS A 35 14.086 10.357 -2.031 1.00 0.40 C ATOM 437 CG LYS A 35 14.823 10.858 -3.265 1.00 0.49 C ATOM 438 CD LYS A 35 13.858 11.245 -4.378 1.00 0.53 C ATOM 439 CE LYS A 35 13.061 12.491 -4.024 1.00 0.60 C ATOM 440 NZ LYS A 35 13.926 13.700 -3.950 1.00 1.41 N ATOM 0 H LYS A 35 11.829 9.991 -1.095 1.00 0.31 H new ATOM 0 HA LYS A 35 13.188 8.920 -3.344 1.00 0.33 H new ATOM 0 HB2 LYS A 35 13.402 11.132 -1.687 1.00 0.40 H new ATOM 0 HB3 LYS A 35 14.807 10.190 -1.231 1.00 0.40 H new ATOM 0 HG2 LYS A 35 15.436 11.719 -2.999 1.00 0.49 H new ATOM 0 HG3 LYS A 35 15.501 10.083 -3.624 1.00 0.49 H new ATOM 0 HD2 LYS A 35 14.415 11.419 -5.299 1.00 0.53 H new ATOM 0 HD3 LYS A 35 13.174 10.418 -4.571 1.00 0.53 H new ATOM 0 HE2 LYS A 35 12.281 12.647 -4.770 1.00 0.60 H new ATOM 0 HE3 LYS A 35 12.561 12.343 -3.067 1.00 0.60 H new ATOM 0 HZ1 LYS A 35 13.330 14.552 -3.927 1.00 1.41 H new ATOM 0 HZ2 LYS A 35 14.506 13.659 -3.088 1.00 1.41 H new ATOM 0 HZ3 LYS A 35 14.547 13.734 -4.784 1.00 1.41 H new ATOM 454 N HIS A 36 14.067 7.774 -0.364 1.00 0.29 N ATOM 455 CA HIS A 36 14.743 6.671 0.309 1.00 0.29 C ATOM 456 C HIS A 36 14.000 5.363 0.067 1.00 0.25 C ATOM 457 O HIS A 36 14.618 4.315 -0.124 1.00 0.27 O ATOM 458 CB HIS A 36 14.854 6.941 1.810 1.00 0.38 C ATOM 459 CG HIS A 36 15.815 8.034 2.153 1.00 0.38 C ATOM 460 ND1 HIS A 36 17.182 7.858 2.166 1.00 0.43 N ATOM 461 CD2 HIS A 36 15.600 9.324 2.501 1.00 0.40 C ATOM 462 CE1 HIS A 36 17.767 8.992 2.509 1.00 0.47 C ATOM 463 NE2 HIS A 36 16.828 9.897 2.717 1.00 0.46 N ATOM 0 H HIS A 36 13.621 8.443 0.264 1.00 0.29 H new ATOM 0 HA HIS A 36 15.748 6.586 -0.104 1.00 0.29 H new ATOM 0 HB2 HIS A 36 13.869 7.200 2.198 1.00 0.38 H new ATOM 0 HB3 HIS A 36 15.164 6.025 2.313 1.00 0.38 H new ATOM 0 HD1 HIS A 36 17.666 6.988 1.945 1.00 0.43 H new ATOM 0 HD2 HIS A 36 14.641 9.812 2.592 1.00 0.40 H new ATOM 0 HE1 HIS A 36 18.831 9.151 2.603 1.00 0.47 H new ATOM 472 N TYR A 37 12.670 5.429 0.081 1.00 0.22 N ATOM 473 CA TYR A 37 11.848 4.248 -0.155 1.00 0.21 C ATOM 474 C TYR A 37 12.133 3.685 -1.541 1.00 0.21 C ATOM 475 O TYR A 37 12.305 2.478 -1.712 1.00 0.24 O ATOM 476 CB TYR A 37 10.360 4.587 -0.035 1.00 0.22 C ATOM 477 CG TYR A 37 9.824 4.597 1.383 1.00 0.23 C ATOM 478 CD1 TYR A 37 10.198 3.623 2.303 1.00 0.33 C ATOM 479 CD2 TYR A 37 8.926 5.574 1.793 1.00 0.37 C ATOM 480 CE1 TYR A 37 9.694 3.627 3.589 1.00 0.40 C ATOM 481 CE2 TYR A 37 8.415 5.581 3.076 1.00 0.41 C ATOM 482 CZ TYR A 37 8.803 4.607 3.969 1.00 0.36 C ATOM 483 OH TYR A 37 8.289 4.609 5.244 1.00 0.48 O ATOM 0 H TYR A 37 12.142 6.285 0.253 1.00 0.22 H new ATOM 0 HA TYR A 37 12.097 3.502 0.600 1.00 0.21 H new ATOM 0 HB2 TYR A 37 10.188 5.567 -0.481 1.00 0.22 H new ATOM 0 HB3 TYR A 37 9.789 3.866 -0.620 1.00 0.22 H new ATOM 0 HD1 TYR A 37 10.893 2.851 2.007 1.00 0.33 H new ATOM 0 HD2 TYR A 37 8.622 6.341 1.097 1.00 0.37 H new ATOM 0 HE1 TYR A 37 9.997 2.866 4.293 1.00 0.40 H new ATOM 0 HE2 TYR A 37 7.715 6.346 3.377 1.00 0.41 H new ATOM 0 HH TYR A 37 8.458 3.741 5.666 1.00 0.48 H new ATOM 493 N ASP A 38 12.176 4.574 -2.528 1.00 0.25 N ATOM 494 CA ASP A 38 12.452 4.180 -3.901 1.00 0.31 C ATOM 495 C ASP A 38 13.859 3.609 -4.006 1.00 0.30 C ATOM 496 O ASP A 38 14.127 2.729 -4.824 1.00 0.32 O ATOM 497 CB ASP A 38 12.297 5.378 -4.842 1.00 0.42 C ATOM 498 CG ASP A 38 12.535 5.009 -6.292 1.00 0.78 C ATOM 499 OD1 ASP A 38 11.596 4.492 -6.935 1.00 0.68 O ATOM 500 OD2 ASP A 38 13.659 5.235 -6.786 1.00 1.51 O ATOM 0 H ASP A 38 12.023 5.574 -2.400 1.00 0.25 H new ATOM 0 HA ASP A 38 11.736 3.413 -4.195 1.00 0.31 H new ATOM 0 HB2 ASP A 38 11.295 5.793 -4.735 1.00 0.42 H new ATOM 0 HB3 ASP A 38 12.998 6.160 -4.549 1.00 0.42 H new ATOM 505 N LYS A 39 14.754 4.119 -3.165 1.00 0.30 N ATOM 506 CA LYS A 39 16.134 3.656 -3.143 1.00 0.32 C ATOM 507 C LYS A 39 16.194 2.219 -2.640 1.00 0.29 C ATOM 508 O LYS A 39 16.919 1.389 -3.188 1.00 0.32 O ATOM 509 CB LYS A 39 16.988 4.564 -2.253 1.00 0.35 C ATOM 510 CG LYS A 39 18.476 4.254 -2.310 1.00 0.41 C ATOM 511 CD LYS A 39 19.054 4.523 -3.691 1.00 0.47 C ATOM 512 CE LYS A 39 20.544 4.231 -3.734 1.00 0.54 C ATOM 513 NZ LYS A 39 21.305 5.113 -2.808 1.00 1.25 N ATOM 0 H LYS A 39 14.546 4.854 -2.489 1.00 0.30 H new ATOM 0 HA LYS A 39 16.531 3.692 -4.157 1.00 0.32 H new ATOM 0 HB2 LYS A 39 16.831 5.601 -2.550 1.00 0.35 H new ATOM 0 HB3 LYS A 39 16.646 4.472 -1.222 1.00 0.35 H new ATOM 0 HG2 LYS A 39 19.002 4.858 -1.571 1.00 0.41 H new ATOM 0 HG3 LYS A 39 18.641 3.210 -2.044 1.00 0.41 H new ATOM 0 HD2 LYS A 39 18.539 3.907 -4.429 1.00 0.47 H new ATOM 0 HD3 LYS A 39 18.877 5.563 -3.965 1.00 0.47 H new ATOM 0 HE2 LYS A 39 20.718 3.188 -3.469 1.00 0.54 H new ATOM 0 HE3 LYS A 39 20.912 4.367 -4.751 1.00 0.54 H new ATOM 0 HZ1 LYS A 39 22.319 5.057 -3.030 1.00 1.25 H new ATOM 0 HZ2 LYS A 39 20.980 6.095 -2.918 1.00 1.25 H new ATOM 0 HZ3 LYS A 39 21.148 4.805 -1.827 1.00 1.25 H new ATOM 527 N ALA A 40 15.423 1.934 -1.593 1.00 0.25 N ATOM 528 CA ALA A 40 15.373 0.595 -1.022 1.00 0.24 C ATOM 529 C ALA A 40 14.873 -0.400 -2.058 1.00 0.22 C ATOM 530 O ALA A 40 15.260 -1.568 -2.055 1.00 0.26 O ATOM 531 CB ALA A 40 14.477 0.575 0.208 1.00 0.22 C ATOM 0 H ALA A 40 14.825 2.614 -1.124 1.00 0.25 H new ATOM 0 HA ALA A 40 16.380 0.308 -0.720 1.00 0.24 H new ATOM 0 HB1 ALA A 40 14.451 -0.433 0.623 1.00 0.22 H new ATOM 0 HB2 ALA A 40 14.870 1.265 0.955 1.00 0.22 H new ATOM 0 HB3 ALA A 40 13.468 0.879 -0.072 1.00 0.22 H new ATOM 537 N LYS A 41 14.007 0.079 -2.946 1.00 0.23 N ATOM 538 CA LYS A 41 13.452 -0.752 -4.004 1.00 0.26 C ATOM 539 C LYS A 41 14.544 -1.156 -4.987 1.00 0.31 C ATOM 540 O LYS A 41 14.559 -2.280 -5.486 1.00 0.37 O ATOM 541 CB LYS A 41 12.334 -0.005 -4.731 1.00 0.29 C ATOM 542 CG LYS A 41 11.676 -0.813 -5.838 1.00 0.41 C ATOM 543 CD LYS A 41 10.461 -0.095 -6.403 1.00 0.78 C ATOM 544 CE LYS A 41 9.844 -0.867 -7.557 1.00 0.89 C ATOM 545 NZ LYS A 41 10.756 -0.931 -8.732 1.00 1.37 N ATOM 0 H LYS A 41 13.674 1.043 -2.952 1.00 0.23 H new ATOM 0 HA LYS A 41 13.036 -1.655 -3.557 1.00 0.26 H new ATOM 0 HB2 LYS A 41 11.574 0.288 -4.006 1.00 0.29 H new ATOM 0 HB3 LYS A 41 12.740 0.913 -5.156 1.00 0.29 H new ATOM 0 HG2 LYS A 41 12.397 -0.994 -6.635 1.00 0.41 H new ATOM 0 HG3 LYS A 41 11.377 -1.787 -5.451 1.00 0.41 H new ATOM 0 HD2 LYS A 41 9.719 0.040 -5.616 1.00 0.78 H new ATOM 0 HD3 LYS A 41 10.750 0.900 -6.743 1.00 0.78 H new ATOM 0 HE2 LYS A 41 9.602 -1.878 -7.229 1.00 0.89 H new ATOM 0 HE3 LYS A 41 8.907 -0.394 -7.850 1.00 0.89 H new ATOM 0 HZ1 LYS A 41 10.224 -1.249 -9.567 1.00 1.37 H new ATOM 0 HZ2 LYS A 41 11.154 0.012 -8.914 1.00 1.37 H new ATOM 0 HZ3 LYS A 41 11.527 -1.601 -8.537 1.00 1.37 H new ATOM 559 N GLU A 42 15.457 -0.228 -5.262 1.00 0.32 N ATOM 560 CA GLU A 42 16.562 -0.496 -6.173 1.00 0.38 C ATOM 561 C GLU A 42 17.577 -1.413 -5.509 1.00 0.40 C ATOM 562 O GLU A 42 18.277 -2.175 -6.175 1.00 0.50 O ATOM 563 CB GLU A 42 17.241 0.805 -6.600 1.00 0.43 C ATOM 564 CG GLU A 42 16.370 1.686 -7.476 1.00 1.11 C ATOM 565 CD GLU A 42 17.163 2.781 -8.158 1.00 1.81 C ATOM 566 OE1 GLU A 42 17.312 3.867 -7.563 1.00 2.03 O ATOM 567 OE2 GLU A 42 17.640 2.550 -9.288 1.00 2.78 O ATOM 0 H GLU A 42 15.452 0.713 -4.868 1.00 0.32 H new ATOM 0 HA GLU A 42 16.161 -0.986 -7.060 1.00 0.38 H new ATOM 0 HB2 GLU A 42 17.529 1.364 -5.710 1.00 0.43 H new ATOM 0 HB3 GLU A 42 18.159 0.567 -7.138 1.00 0.43 H new ATOM 0 HG2 GLU A 42 15.879 1.072 -8.231 1.00 1.11 H new ATOM 0 HG3 GLU A 42 15.584 2.134 -6.869 1.00 1.11 H new ATOM 574 N LEU A 43 17.647 -1.329 -4.186 1.00 0.36 N ATOM 575 CA LEU A 43 18.565 -2.151 -3.412 1.00 0.39 C ATOM 576 C LEU A 43 17.997 -3.554 -3.224 1.00 0.39 C ATOM 577 O LEU A 43 18.738 -4.513 -3.010 1.00 0.49 O ATOM 578 CB LEU A 43 18.833 -1.501 -2.052 1.00 0.39 C ATOM 579 CG LEU A 43 20.023 -0.535 -2.002 1.00 0.43 C ATOM 580 CD1 LEU A 43 19.946 0.494 -3.121 1.00 0.42 C ATOM 581 CD2 LEU A 43 20.078 0.159 -0.652 1.00 0.45 C ATOM 0 H LEU A 43 17.076 -0.696 -3.626 1.00 0.36 H new ATOM 0 HA LEU A 43 19.506 -2.230 -3.957 1.00 0.39 H new ATOM 0 HB2 LEU A 43 17.937 -0.962 -1.744 1.00 0.39 H new ATOM 0 HB3 LEU A 43 18.998 -2.290 -1.318 1.00 0.39 H new ATOM 0 HG LEU A 43 20.935 -1.115 -2.142 1.00 0.43 H new ATOM 0 HD11 LEU A 43 20.803 1.164 -3.059 1.00 0.42 H new ATOM 0 HD12 LEU A 43 19.953 -0.015 -4.085 1.00 0.42 H new ATOM 0 HD13 LEU A 43 19.027 1.071 -3.022 1.00 0.42 H new ATOM 0 HD21 LEU A 43 20.927 0.842 -0.628 1.00 0.45 H new ATOM 0 HD22 LEU A 43 19.157 0.719 -0.493 1.00 0.45 H new ATOM 0 HD23 LEU A 43 20.190 -0.586 0.136 1.00 0.45 H new ATOM 593 N ASP A 44 16.675 -3.661 -3.312 1.00 0.32 N ATOM 594 CA ASP A 44 15.995 -4.941 -3.160 1.00 0.33 C ATOM 595 C ASP A 44 14.578 -4.863 -3.730 1.00 0.32 C ATOM 596 O ASP A 44 13.617 -4.636 -2.993 1.00 0.33 O ATOM 597 CB ASP A 44 15.949 -5.349 -1.688 1.00 0.40 C ATOM 598 CG ASP A 44 15.517 -6.790 -1.504 1.00 0.46 C ATOM 599 OD1 ASP A 44 14.374 -7.120 -1.881 1.00 0.52 O ATOM 600 OD2 ASP A 44 16.322 -7.589 -0.984 1.00 1.11 O ATOM 0 H ASP A 44 16.052 -2.873 -3.489 1.00 0.32 H new ATOM 0 HA ASP A 44 16.553 -5.696 -3.714 1.00 0.33 H new ATOM 0 HB2 ASP A 44 16.934 -5.208 -1.243 1.00 0.40 H new ATOM 0 HB3 ASP A 44 15.261 -4.695 -1.153 1.00 0.40 H new ATOM 605 N PRO A 45 14.429 -5.047 -5.057 1.00 0.41 N ATOM 606 CA PRO A 45 13.124 -4.990 -5.723 1.00 0.49 C ATOM 607 C PRO A 45 12.219 -6.154 -5.336 1.00 0.47 C ATOM 608 O PRO A 45 10.998 -6.068 -5.462 1.00 0.59 O ATOM 609 CB PRO A 45 13.464 -5.062 -7.220 1.00 0.64 C ATOM 610 CG PRO A 45 14.937 -4.838 -7.311 1.00 0.63 C ATOM 611 CD PRO A 45 15.513 -5.320 -6.014 1.00 0.52 C ATOM 0 HA PRO A 45 12.576 -4.091 -5.441 1.00 0.49 H new ATOM 0 HB2 PRO A 45 13.189 -6.030 -7.638 1.00 0.64 H new ATOM 0 HB3 PRO A 45 12.917 -4.305 -7.782 1.00 0.64 H new ATOM 0 HG2 PRO A 45 15.363 -5.384 -8.153 1.00 0.63 H new ATOM 0 HG3 PRO A 45 15.162 -3.783 -7.469 1.00 0.63 H new ATOM 0 HD2 PRO A 45 15.763 -6.380 -6.051 1.00 0.52 H new ATOM 0 HD3 PRO A 45 16.427 -4.786 -5.754 1.00 0.52 H new ATOM 619 N THR A 46 12.824 -7.240 -4.864 1.00 0.39 N ATOM 620 CA THR A 46 12.068 -8.423 -4.468 1.00 0.40 C ATOM 621 C THR A 46 11.294 -8.184 -3.175 1.00 0.40 C ATOM 622 O THR A 46 10.351 -8.911 -2.863 1.00 0.42 O ATOM 623 CB THR A 46 12.988 -9.643 -4.290 1.00 0.42 C ATOM 624 OG1 THR A 46 14.004 -9.355 -3.324 1.00 0.45 O ATOM 625 CG2 THR A 46 13.634 -10.033 -5.611 1.00 0.46 C ATOM 0 H THR A 46 13.834 -7.325 -4.747 1.00 0.39 H new ATOM 0 HA THR A 46 11.360 -8.626 -5.272 1.00 0.40 H new ATOM 0 HB THR A 46 12.381 -10.478 -3.940 1.00 0.42 H new ATOM 0 HG1 THR A 46 13.891 -8.440 -2.993 1.00 0.45 H new ATOM 0 HG21 THR A 46 14.280 -10.898 -5.459 1.00 0.46 H new ATOM 0 HG22 THR A 46 12.859 -10.282 -6.336 1.00 0.46 H new ATOM 0 HG23 THR A 46 14.227 -9.199 -5.986 1.00 0.46 H new ATOM 633 N ASN A 47 11.700 -7.166 -2.426 1.00 0.52 N ATOM 634 CA ASN A 47 11.040 -6.829 -1.170 1.00 0.56 C ATOM 635 C ASN A 47 9.837 -5.928 -1.430 1.00 0.56 C ATOM 636 O ASN A 47 9.984 -4.728 -1.663 1.00 0.89 O ATOM 637 CB ASN A 47 12.029 -6.140 -0.233 1.00 0.78 C ATOM 638 CG ASN A 47 11.452 -5.887 1.143 1.00 1.51 C ATOM 639 OD1 ASN A 47 11.581 -6.714 2.044 1.00 2.13 O ATOM 640 ND2 ASN A 47 10.812 -4.739 1.311 1.00 1.47 N ATOM 0 H ASN A 47 12.484 -6.559 -2.666 1.00 0.52 H new ATOM 0 HA ASN A 47 10.688 -7.746 -0.697 1.00 0.56 H new ATOM 0 HB2 ASN A 47 12.924 -6.756 -0.140 1.00 0.78 H new ATOM 0 HB3 ASN A 47 12.339 -5.192 -0.672 1.00 0.78 H new ATOM 0 HD21 ASN A 47 10.402 -4.512 2.217 1.00 1.47 H new ATOM 0 HD22 ASN A 47 10.730 -4.083 0.535 1.00 1.47 H new ATOM 647 N MET A 48 8.646 -6.516 -1.381 1.00 0.29 N ATOM 648 CA MET A 48 7.411 -5.783 -1.641 1.00 0.26 C ATOM 649 C MET A 48 7.100 -4.765 -0.546 1.00 0.24 C ATOM 650 O MET A 48 6.336 -3.827 -0.769 1.00 0.24 O ATOM 651 CB MET A 48 6.244 -6.760 -1.793 1.00 0.22 C ATOM 652 CG MET A 48 5.848 -7.457 -0.501 1.00 0.19 C ATOM 653 SD MET A 48 4.564 -6.574 0.405 1.00 1.05 S ATOM 654 CE MET A 48 3.204 -6.670 -0.757 1.00 0.27 C ATOM 0 H MET A 48 8.509 -7.503 -1.163 1.00 0.29 H new ATOM 0 HA MET A 48 7.552 -5.230 -2.569 1.00 0.26 H new ATOM 0 HB2 MET A 48 5.380 -6.221 -2.182 1.00 0.22 H new ATOM 0 HB3 MET A 48 6.509 -7.514 -2.534 1.00 0.22 H new ATOM 0 HG2 MET A 48 5.498 -8.464 -0.729 1.00 0.19 H new ATOM 0 HG3 MET A 48 6.728 -7.562 0.134 1.00 0.19 H new ATOM 0 HE1 MET A 48 2.285 -6.909 -0.222 1.00 0.27 H new ATOM 0 HE2 MET A 48 3.090 -5.712 -1.264 1.00 0.27 H new ATOM 0 HE3 MET A 48 3.408 -7.448 -1.493 1.00 0.27 H new ATOM 664 N THR A 49 7.685 -4.948 0.633 1.00 0.24 N ATOM 665 CA THR A 49 7.444 -4.034 1.744 1.00 0.26 C ATOM 666 C THR A 49 7.908 -2.619 1.407 1.00 0.28 C ATOM 667 O THR A 49 7.290 -1.641 1.825 1.00 0.39 O ATOM 668 CB THR A 49 8.143 -4.507 3.033 1.00 0.29 C ATOM 669 OG1 THR A 49 7.864 -5.894 3.260 1.00 0.71 O ATOM 670 CG2 THR A 49 7.674 -3.692 4.228 1.00 0.64 C ATOM 0 H THR A 49 8.324 -5.714 0.843 1.00 0.24 H new ATOM 0 HA THR A 49 6.367 -4.026 1.914 1.00 0.26 H new ATOM 0 HB THR A 49 9.217 -4.367 2.912 1.00 0.29 H new ATOM 0 HG1 THR A 49 8.313 -6.188 4.080 1.00 0.71 H new ATOM 0 HG21 THR A 49 8.180 -4.042 5.128 1.00 0.64 H new ATOM 0 HG22 THR A 49 7.909 -2.640 4.066 1.00 0.64 H new ATOM 0 HG23 THR A 49 6.597 -3.809 4.348 1.00 0.64 H new ATOM 678 N TYR A 50 8.996 -2.512 0.649 1.00 0.23 N ATOM 679 CA TYR A 50 9.519 -1.208 0.260 1.00 0.23 C ATOM 680 C TYR A 50 8.581 -0.537 -0.734 1.00 0.26 C ATOM 681 O TYR A 50 8.302 0.657 -0.632 1.00 0.42 O ATOM 682 CB TYR A 50 10.917 -1.336 -0.356 1.00 0.21 C ATOM 683 CG TYR A 50 11.937 -1.999 0.544 1.00 0.22 C ATOM 684 CD1 TYR A 50 11.925 -1.801 1.921 1.00 0.28 C ATOM 685 CD2 TYR A 50 12.917 -2.826 0.013 1.00 0.25 C ATOM 686 CE1 TYR A 50 12.859 -2.409 2.737 1.00 0.35 C ATOM 687 CE2 TYR A 50 13.854 -3.437 0.824 1.00 0.31 C ATOM 688 CZ TYR A 50 13.821 -3.225 2.185 1.00 0.34 C ATOM 689 OH TYR A 50 14.753 -3.831 2.995 1.00 0.44 O ATOM 0 H TYR A 50 9.528 -3.307 0.295 1.00 0.23 H new ATOM 0 HA TYR A 50 9.591 -0.595 1.159 1.00 0.23 H new ATOM 0 HB2 TYR A 50 10.842 -1.906 -1.282 1.00 0.21 H new ATOM 0 HB3 TYR A 50 11.276 -0.342 -0.622 1.00 0.21 H new ATOM 0 HD1 TYR A 50 11.173 -1.161 2.359 1.00 0.28 H new ATOM 0 HD2 TYR A 50 12.948 -2.995 -1.053 1.00 0.25 H new ATOM 0 HE1 TYR A 50 12.835 -2.245 3.804 1.00 0.35 H new ATOM 0 HE2 TYR A 50 14.609 -4.078 0.393 1.00 0.31 H new ATOM 0 HH TYR A 50 15.359 -4.373 2.448 1.00 0.44 H new ATOM 699 N ILE A 51 8.095 -1.319 -1.693 1.00 0.18 N ATOM 700 CA ILE A 51 7.187 -0.808 -2.712 1.00 0.19 C ATOM 701 C ILE A 51 5.884 -0.318 -2.090 1.00 0.19 C ATOM 702 O ILE A 51 5.378 0.746 -2.447 1.00 0.22 O ATOM 703 CB ILE A 51 6.872 -1.879 -3.773 1.00 0.20 C ATOM 704 CG1 ILE A 51 8.172 -2.476 -4.321 1.00 0.25 C ATOM 705 CG2 ILE A 51 6.039 -1.277 -4.896 1.00 0.21 C ATOM 706 CD1 ILE A 51 7.961 -3.636 -5.271 1.00 0.33 C ATOM 0 H ILE A 51 8.316 -2.311 -1.785 1.00 0.18 H new ATOM 0 HA ILE A 51 7.691 0.029 -3.195 1.00 0.19 H new ATOM 0 HB ILE A 51 6.295 -2.679 -3.309 1.00 0.20 H new ATOM 0 HG12 ILE A 51 8.731 -1.694 -4.836 1.00 0.25 H new ATOM 0 HG13 ILE A 51 8.787 -2.810 -3.486 1.00 0.25 H new ATOM 0 HG21 ILE A 51 5.823 -2.044 -5.640 1.00 0.21 H new ATOM 0 HG22 ILE A 51 5.104 -0.892 -4.489 1.00 0.21 H new ATOM 0 HG23 ILE A 51 6.593 -0.463 -5.364 1.00 0.21 H new ATOM 0 HD11 ILE A 51 8.927 -4.004 -5.616 1.00 0.33 H new ATOM 0 HD12 ILE A 51 7.431 -4.437 -4.755 1.00 0.33 H new ATOM 0 HD13 ILE A 51 7.373 -3.303 -6.126 1.00 0.33 H new ATOM 718 N THR A 52 5.343 -1.101 -1.159 1.00 0.20 N ATOM 719 CA THR A 52 4.102 -0.736 -0.486 1.00 0.24 C ATOM 720 C THR A 52 4.275 0.568 0.277 1.00 0.24 C ATOM 721 O THR A 52 3.368 1.401 0.322 1.00 0.27 O ATOM 722 CB THR A 52 3.640 -1.829 0.495 1.00 0.27 C ATOM 723 OG1 THR A 52 4.684 -2.123 1.429 1.00 0.28 O ATOM 724 CG2 THR A 52 3.248 -3.094 -0.249 1.00 0.26 C ATOM 0 H THR A 52 5.744 -1.988 -0.856 1.00 0.20 H new ATOM 0 HA THR A 52 3.343 -0.619 -1.259 1.00 0.24 H new ATOM 0 HB THR A 52 2.767 -1.458 1.032 1.00 0.27 H new ATOM 0 HG1 THR A 52 5.537 -1.785 1.083 1.00 0.28 H new ATOM 0 HG21 THR A 52 2.925 -3.851 0.466 1.00 0.26 H new ATOM 0 HG22 THR A 52 2.432 -2.873 -0.937 1.00 0.26 H new ATOM 0 HG23 THR A 52 4.105 -3.466 -0.810 1.00 0.26 H new ATOM 732 N ASN A 53 5.446 0.736 0.879 1.00 0.25 N ATOM 733 CA ASN A 53 5.747 1.943 1.633 1.00 0.27 C ATOM 734 C ASN A 53 5.798 3.145 0.700 1.00 0.24 C ATOM 735 O ASN A 53 5.385 4.245 1.066 1.00 0.27 O ATOM 736 CB ASN A 53 7.071 1.790 2.381 1.00 0.34 C ATOM 737 CG ASN A 53 6.945 0.917 3.617 1.00 0.81 C ATOM 738 OD1 ASN A 53 7.677 1.092 4.590 1.00 1.59 O ATOM 739 ND2 ASN A 53 6.016 -0.030 3.585 1.00 1.42 N ATOM 0 H ASN A 53 6.201 0.051 0.859 1.00 0.25 H new ATOM 0 HA ASN A 53 4.956 2.103 2.366 1.00 0.27 H new ATOM 0 HB2 ASN A 53 7.815 1.360 1.711 1.00 0.34 H new ATOM 0 HB3 ASN A 53 7.436 2.775 2.672 1.00 0.34 H new ATOM 0 HD21 ASN A 53 5.888 -0.646 4.388 1.00 1.42 H new ATOM 0 HD22 ASN A 53 5.430 -0.141 2.758 1.00 1.42 H new ATOM 746 N GLN A 54 6.313 2.928 -0.510 1.00 0.23 N ATOM 747 CA GLN A 54 6.391 3.991 -1.504 1.00 0.25 C ATOM 748 C GLN A 54 4.995 4.506 -1.805 1.00 0.25 C ATOM 749 O GLN A 54 4.744 5.711 -1.794 1.00 0.28 O ATOM 750 CB GLN A 54 7.036 3.484 -2.795 1.00 0.27 C ATOM 751 CG GLN A 54 8.513 3.161 -2.657 1.00 0.40 C ATOM 752 CD GLN A 54 9.130 2.665 -3.951 1.00 0.62 C ATOM 753 OE1 GLN A 54 10.047 1.848 -3.939 1.00 1.27 O ATOM 754 NE2 GLN A 54 8.636 3.165 -5.078 1.00 1.34 N ATOM 0 H GLN A 54 6.680 2.029 -0.822 1.00 0.23 H new ATOM 0 HA GLN A 54 7.006 4.796 -1.102 1.00 0.25 H new ATOM 0 HB2 GLN A 54 6.508 2.590 -3.127 1.00 0.27 H new ATOM 0 HB3 GLN A 54 6.910 4.237 -3.573 1.00 0.27 H new ATOM 0 HG2 GLN A 54 9.045 4.052 -2.324 1.00 0.40 H new ATOM 0 HG3 GLN A 54 8.644 2.404 -1.884 1.00 0.40 H new ATOM 0 HE21 GLN A 54 7.874 3.842 -5.045 1.00 1.34 H new ATOM 0 HE22 GLN A 54 9.019 2.872 -5.977 1.00 1.34 H new ATOM 763 N ALA A 55 4.091 3.568 -2.068 1.00 0.24 N ATOM 764 CA ALA A 55 2.708 3.894 -2.367 1.00 0.25 C ATOM 765 C ALA A 55 2.086 4.691 -1.230 1.00 0.26 C ATOM 766 O ALA A 55 1.277 5.590 -1.460 1.00 0.30 O ATOM 767 CB ALA A 55 1.917 2.622 -2.619 1.00 0.24 C ATOM 0 H ALA A 55 4.297 2.569 -2.079 1.00 0.24 H new ATOM 0 HA ALA A 55 2.682 4.509 -3.267 1.00 0.25 H new ATOM 0 HB1 ALA A 55 0.881 2.876 -2.842 1.00 0.24 H new ATOM 0 HB2 ALA A 55 2.349 2.086 -3.464 1.00 0.24 H new ATOM 0 HB3 ALA A 55 1.952 1.990 -1.732 1.00 0.24 H new ATOM 773 N ALA A 56 2.469 4.352 -0.001 1.00 0.26 N ATOM 774 CA ALA A 56 1.959 5.045 1.174 1.00 0.27 C ATOM 775 C ALA A 56 2.276 6.531 1.087 1.00 0.26 C ATOM 776 O ALA A 56 1.492 7.373 1.526 1.00 0.30 O ATOM 777 CB ALA A 56 2.550 4.447 2.440 1.00 0.29 C ATOM 0 H ALA A 56 3.130 3.603 0.204 1.00 0.26 H new ATOM 0 HA ALA A 56 0.876 4.923 1.209 1.00 0.27 H new ATOM 0 HB1 ALA A 56 2.159 4.976 3.309 1.00 0.29 H new ATOM 0 HB2 ALA A 56 2.280 3.393 2.505 1.00 0.29 H new ATOM 0 HB3 ALA A 56 3.636 4.543 2.415 1.00 0.29 H new ATOM 783 N VAL A 57 3.436 6.843 0.517 1.00 0.26 N ATOM 784 CA VAL A 57 3.856 8.226 0.355 1.00 0.27 C ATOM 785 C VAL A 57 2.994 8.921 -0.689 1.00 0.26 C ATOM 786 O VAL A 57 2.514 10.032 -0.470 1.00 0.30 O ATOM 787 CB VAL A 57 5.334 8.327 -0.062 1.00 0.28 C ATOM 788 CG1 VAL A 57 5.768 9.782 -0.132 1.00 0.33 C ATOM 789 CG2 VAL A 57 6.214 7.545 0.900 1.00 0.30 C ATOM 0 H VAL A 57 4.100 6.155 0.161 1.00 0.26 H new ATOM 0 HA VAL A 57 3.736 8.716 1.321 1.00 0.27 H new ATOM 0 HB VAL A 57 5.445 7.890 -1.055 1.00 0.28 H new ATOM 0 HG11 VAL A 57 6.816 9.835 -0.428 1.00 0.33 H new ATOM 0 HG12 VAL A 57 5.157 10.309 -0.864 1.00 0.33 H new ATOM 0 HG13 VAL A 57 5.643 10.246 0.846 1.00 0.33 H new ATOM 0 HG21 VAL A 57 7.256 7.628 0.589 1.00 0.30 H new ATOM 0 HG22 VAL A 57 6.102 7.949 1.906 1.00 0.30 H new ATOM 0 HG23 VAL A 57 5.916 6.496 0.895 1.00 0.30 H new ATOM 799 N TYR A 58 2.806 8.259 -1.830 1.00 0.25 N ATOM 800 CA TYR A 58 1.986 8.810 -2.901 1.00 0.27 C ATOM 801 C TYR A 58 0.575 9.071 -2.391 1.00 0.28 C ATOM 802 O TYR A 58 -0.099 9.998 -2.837 1.00 0.29 O ATOM 803 CB TYR A 58 1.946 7.855 -4.095 1.00 0.27 C ATOM 804 CG TYR A 58 3.237 7.806 -4.879 1.00 0.28 C ATOM 805 CD1 TYR A 58 3.498 8.733 -5.879 1.00 0.35 C ATOM 806 CD2 TYR A 58 4.193 6.833 -4.622 1.00 0.28 C ATOM 807 CE1 TYR A 58 4.675 8.691 -6.602 1.00 0.38 C ATOM 808 CE2 TYR A 58 5.373 6.785 -5.340 1.00 0.30 C ATOM 809 CZ TYR A 58 5.609 7.716 -6.328 1.00 0.33 C ATOM 810 OH TYR A 58 6.782 7.671 -7.046 1.00 0.37 O ATOM 0 H TYR A 58 3.210 7.345 -2.033 1.00 0.25 H new ATOM 0 HA TYR A 58 2.428 9.751 -3.229 1.00 0.27 H new ATOM 0 HB2 TYR A 58 1.710 6.852 -3.739 1.00 0.27 H new ATOM 0 HB3 TYR A 58 1.138 8.155 -4.762 1.00 0.27 H new ATOM 0 HD1 TYR A 58 2.769 9.500 -6.096 1.00 0.35 H new ATOM 0 HD2 TYR A 58 4.012 6.102 -3.848 1.00 0.28 H new ATOM 0 HE1 TYR A 58 4.862 9.419 -7.378 1.00 0.38 H new ATOM 0 HE2 TYR A 58 6.107 6.021 -5.128 1.00 0.30 H new ATOM 0 HH TYR A 58 7.026 8.576 -7.331 1.00 0.37 H new ATOM 820 N PHE A 59 0.140 8.238 -1.450 1.00 0.30 N ATOM 821 CA PHE A 59 -1.183 8.375 -0.856 1.00 0.32 C ATOM 822 C PHE A 59 -1.263 9.680 -0.074 1.00 0.35 C ATOM 823 O PHE A 59 -2.330 10.283 0.051 1.00 0.42 O ATOM 824 CB PHE A 59 -1.468 7.186 0.067 1.00 0.33 C ATOM 825 CG PHE A 59 -2.877 7.142 0.588 1.00 0.35 C ATOM 826 CD1 PHE A 59 -3.222 7.803 1.756 1.00 0.49 C ATOM 827 CD2 PHE A 59 -3.857 6.435 -0.091 1.00 0.29 C ATOM 828 CE1 PHE A 59 -4.517 7.760 2.238 1.00 0.56 C ATOM 829 CE2 PHE A 59 -5.153 6.389 0.386 1.00 0.35 C ATOM 830 CZ PHE A 59 -5.484 7.053 1.551 1.00 0.47 C ATOM 0 H PHE A 59 0.687 7.460 -1.083 1.00 0.30 H new ATOM 0 HA PHE A 59 -1.932 8.390 -1.648 1.00 0.32 H new ATOM 0 HB2 PHE A 59 -1.262 6.262 -0.473 1.00 0.33 H new ATOM 0 HB3 PHE A 59 -0.780 7.221 0.912 1.00 0.33 H new ATOM 0 HD1 PHE A 59 -2.470 8.359 2.296 1.00 0.49 H new ATOM 0 HD2 PHE A 59 -3.605 5.914 -1.003 1.00 0.29 H new ATOM 0 HE1 PHE A 59 -4.772 8.279 3.150 1.00 0.56 H new ATOM 0 HE2 PHE A 59 -5.907 5.834 -0.152 1.00 0.35 H new ATOM 0 HZ PHE A 59 -6.497 7.019 1.924 1.00 0.47 H new ATOM 840 N GLU A 60 -0.117 10.109 0.444 1.00 0.34 N ATOM 841 CA GLU A 60 -0.032 11.342 1.212 1.00 0.37 C ATOM 842 C GLU A 60 0.212 12.535 0.293 1.00 0.35 C ATOM 843 O GLU A 60 -0.155 13.665 0.616 1.00 0.41 O ATOM 844 CB GLU A 60 1.096 11.244 2.240 1.00 0.39 C ATOM 845 CG GLU A 60 0.938 10.088 3.214 1.00 0.44 C ATOM 846 CD GLU A 60 -0.165 10.326 4.224 1.00 0.91 C ATOM 847 OE1 GLU A 60 0.032 11.162 5.131 1.00 1.42 O ATOM 848 OE2 GLU A 60 -1.227 9.678 4.109 1.00 1.07 O ATOM 0 H GLU A 60 0.770 9.616 0.344 1.00 0.34 H new ATOM 0 HA GLU A 60 -0.980 11.488 1.729 1.00 0.37 H new ATOM 0 HB2 GLU A 60 2.045 11.138 1.715 1.00 0.39 H new ATOM 0 HB3 GLU A 60 1.145 12.177 2.802 1.00 0.39 H new ATOM 0 HG2 GLU A 60 0.726 9.175 2.658 1.00 0.44 H new ATOM 0 HG3 GLU A 60 1.879 9.929 3.740 1.00 0.44 H new ATOM 855 N LYS A 61 0.834 12.274 -0.855 1.00 0.32 N ATOM 856 CA LYS A 61 1.128 13.327 -1.821 1.00 0.33 C ATOM 857 C LYS A 61 -0.102 13.657 -2.658 1.00 0.35 C ATOM 858 O LYS A 61 -0.158 14.700 -3.310 1.00 0.40 O ATOM 859 CB LYS A 61 2.277 12.911 -2.743 1.00 0.33 C ATOM 860 CG LYS A 61 3.588 12.650 -2.017 1.00 0.48 C ATOM 861 CD LYS A 61 4.761 12.586 -2.986 1.00 0.49 C ATOM 862 CE LYS A 61 4.611 11.447 -3.983 1.00 0.36 C ATOM 863 NZ LYS A 61 5.726 11.426 -4.968 1.00 1.10 N ATOM 0 H LYS A 61 1.143 11.344 -1.137 1.00 0.32 H new ATOM 0 HA LYS A 61 1.423 14.215 -1.262 1.00 0.33 H new ATOM 0 HB2 LYS A 61 1.987 12.010 -3.284 1.00 0.33 H new ATOM 0 HB3 LYS A 61 2.434 13.693 -3.486 1.00 0.33 H new ATOM 0 HG2 LYS A 61 3.763 13.438 -1.285 1.00 0.48 H new ATOM 0 HG3 LYS A 61 3.519 11.712 -1.466 1.00 0.48 H new ATOM 0 HD2 LYS A 61 4.840 13.531 -3.523 1.00 0.49 H new ATOM 0 HD3 LYS A 61 5.688 12.459 -2.426 1.00 0.49 H new ATOM 0 HE2 LYS A 61 4.580 10.498 -3.449 1.00 0.36 H new ATOM 0 HE3 LYS A 61 3.662 11.547 -4.510 1.00 0.36 H new ATOM 0 HZ1 LYS A 61 5.607 10.616 -5.610 1.00 1.10 H new ATOM 0 HZ2 LYS A 61 5.719 12.308 -5.519 1.00 1.10 H new ATOM 0 HZ3 LYS A 61 6.632 11.339 -4.465 1.00 1.10 H new ATOM 877 N GLY A 62 -1.084 12.763 -2.635 1.00 0.34 N ATOM 878 CA GLY A 62 -2.297 12.975 -3.401 1.00 0.36 C ATOM 879 C GLY A 62 -2.392 12.047 -4.596 1.00 0.33 C ATOM 880 O GLY A 62 -3.441 11.947 -5.232 1.00 0.35 O ATOM 0 H GLY A 62 -1.061 11.895 -2.099 1.00 0.34 H new ATOM 0 HA2 GLY A 62 -3.163 12.823 -2.756 1.00 0.36 H new ATOM 0 HA3 GLY A 62 -2.332 14.009 -3.743 1.00 0.36 H new ATOM 884 N ASP A 63 -1.289 11.369 -4.901 1.00 0.31 N ATOM 885 CA ASP A 63 -1.246 10.441 -6.025 1.00 0.30 C ATOM 886 C ASP A 63 -1.824 9.085 -5.633 1.00 0.27 C ATOM 887 O ASP A 63 -1.089 8.112 -5.457 1.00 0.32 O ATOM 888 CB ASP A 63 0.190 10.272 -6.523 1.00 0.32 C ATOM 889 CG ASP A 63 0.674 11.473 -7.308 1.00 0.84 C ATOM 890 OD1 ASP A 63 0.414 11.527 -8.529 1.00 1.26 O ATOM 891 OD2 ASP A 63 1.315 12.359 -6.705 1.00 1.26 O ATOM 0 H ASP A 63 -0.413 11.446 -4.384 1.00 0.31 H new ATOM 0 HA ASP A 63 -1.853 10.857 -6.829 1.00 0.30 H new ATOM 0 HB2 ASP A 63 0.850 10.108 -5.671 1.00 0.32 H new ATOM 0 HB3 ASP A 63 0.252 9.383 -7.150 1.00 0.32 H new ATOM 896 N TYR A 64 -3.145 9.028 -5.498 1.00 0.27 N ATOM 897 CA TYR A 64 -3.819 7.790 -5.130 1.00 0.28 C ATOM 898 C TYR A 64 -3.672 6.751 -6.236 1.00 0.29 C ATOM 899 O TYR A 64 -3.728 5.548 -5.983 1.00 0.34 O ATOM 900 CB TYR A 64 -5.295 8.057 -4.830 1.00 0.29 C ATOM 901 CG TYR A 64 -5.504 9.067 -3.723 1.00 0.32 C ATOM 902 CD1 TYR A 64 -5.253 8.735 -2.397 1.00 0.33 C ATOM 903 CD2 TYR A 64 -5.943 10.355 -4.003 1.00 0.35 C ATOM 904 CE1 TYR A 64 -5.436 9.655 -1.382 1.00 0.36 C ATOM 905 CE2 TYR A 64 -6.127 11.282 -2.994 1.00 0.39 C ATOM 906 CZ TYR A 64 -5.872 10.927 -1.686 1.00 0.38 C ATOM 907 OH TYR A 64 -6.051 11.848 -0.679 1.00 0.43 O ATOM 0 H TYR A 64 -3.768 9.823 -5.638 1.00 0.27 H new ATOM 0 HA TYR A 64 -3.351 7.395 -4.228 1.00 0.28 H new ATOM 0 HB2 TYR A 64 -5.785 8.414 -5.736 1.00 0.29 H new ATOM 0 HB3 TYR A 64 -5.779 7.120 -4.554 1.00 0.29 H new ATOM 0 HD1 TYR A 64 -4.909 7.740 -2.155 1.00 0.33 H new ATOM 0 HD2 TYR A 64 -6.144 10.637 -5.026 1.00 0.35 H new ATOM 0 HE1 TYR A 64 -5.239 9.379 -0.357 1.00 0.36 H new ATOM 0 HE2 TYR A 64 -6.469 12.279 -3.229 1.00 0.39 H new ATOM 0 HH TYR A 64 -6.360 12.695 -1.062 1.00 0.43 H new ATOM 917 N ASN A 65 -3.482 7.226 -7.465 1.00 0.31 N ATOM 918 CA ASN A 65 -3.306 6.337 -8.607 1.00 0.37 C ATOM 919 C ASN A 65 -1.978 5.601 -8.497 1.00 0.33 C ATOM 920 O ASN A 65 -1.899 4.397 -8.738 1.00 0.34 O ATOM 921 CB ASN A 65 -3.358 7.124 -9.918 1.00 0.47 C ATOM 922 CG ASN A 65 -4.768 7.258 -10.456 1.00 1.17 C ATOM 923 OD1 ASN A 65 -5.482 8.204 -10.129 1.00 1.66 O ATOM 924 ND2 ASN A 65 -5.175 6.309 -11.289 1.00 2.18 N ATOM 0 H ASN A 65 -3.446 8.219 -7.694 1.00 0.31 H new ATOM 0 HA ASN A 65 -4.119 5.611 -8.606 1.00 0.37 H new ATOM 0 HB2 ASN A 65 -2.937 8.117 -9.760 1.00 0.47 H new ATOM 0 HB3 ASN A 65 -2.734 6.628 -10.661 1.00 0.47 H new ATOM 0 HD21 ASN A 65 -6.114 6.347 -11.685 1.00 2.18 H new ATOM 0 HD22 ASN A 65 -4.549 5.542 -11.533 1.00 2.18 H new ATOM 931 N LYS A 66 -0.934 6.340 -8.131 1.00 0.34 N ATOM 932 CA LYS A 66 0.393 5.763 -7.976 1.00 0.32 C ATOM 933 C LYS A 66 0.433 4.843 -6.764 1.00 0.31 C ATOM 934 O LYS A 66 1.183 3.869 -6.739 1.00 0.32 O ATOM 935 CB LYS A 66 1.441 6.865 -7.826 1.00 0.29 C ATOM 936 CG LYS A 66 2.535 6.820 -8.883 1.00 0.40 C ATOM 937 CD LYS A 66 3.301 5.506 -8.851 1.00 0.63 C ATOM 938 CE LYS A 66 4.383 5.470 -9.916 1.00 0.42 C ATOM 939 NZ LYS A 66 5.067 4.150 -9.971 1.00 0.68 N ATOM 0 H LYS A 66 -0.984 7.340 -7.937 1.00 0.34 H new ATOM 0 HA LYS A 66 0.620 5.181 -8.869 1.00 0.32 H new ATOM 0 HB2 LYS A 66 0.945 7.834 -7.871 1.00 0.29 H new ATOM 0 HB3 LYS A 66 1.898 6.787 -6.840 1.00 0.29 H new ATOM 0 HG2 LYS A 66 2.093 6.958 -9.870 1.00 0.40 H new ATOM 0 HG3 LYS A 66 3.227 7.647 -8.725 1.00 0.40 H new ATOM 0 HD2 LYS A 66 3.751 5.369 -7.868 1.00 0.63 H new ATOM 0 HD3 LYS A 66 2.610 4.677 -9.003 1.00 0.63 H new ATOM 0 HE2 LYS A 66 3.942 5.691 -10.888 1.00 0.42 H new ATOM 0 HE3 LYS A 66 5.117 6.250 -9.714 1.00 0.42 H new ATOM 0 HZ1 LYS A 66 5.257 3.899 -10.962 1.00 0.68 H new ATOM 0 HZ2 LYS A 66 5.965 4.202 -9.449 1.00 0.68 H new ATOM 0 HZ3 LYS A 66 4.458 3.425 -9.541 1.00 0.68 H new ATOM 953 N CYS A 67 -0.372 5.166 -5.755 1.00 0.31 N ATOM 954 CA CYS A 67 -0.439 4.357 -4.546 1.00 0.32 C ATOM 955 C CYS A 67 -0.966 2.969 -4.881 1.00 0.36 C ATOM 956 O CYS A 67 -0.380 1.957 -4.501 1.00 0.39 O ATOM 957 CB CYS A 67 -1.342 5.022 -3.506 1.00 0.33 C ATOM 958 SG CYS A 67 -1.453 4.121 -1.942 1.00 1.29 S ATOM 0 H CYS A 67 -0.985 5.981 -5.753 1.00 0.31 H new ATOM 0 HA CYS A 67 0.564 4.269 -4.129 1.00 0.32 H new ATOM 0 HB2 CYS A 67 -0.971 6.028 -3.308 1.00 0.33 H new ATOM 0 HB3 CYS A 67 -2.343 5.128 -3.924 1.00 0.33 H new ATOM 0 HG CYS A 67 -2.686 3.767 -1.731 1.00 1.29 H new ATOM 964 N ARG A 68 -2.081 2.938 -5.600 1.00 0.38 N ATOM 965 CA ARG A 68 -2.698 1.687 -6.014 1.00 0.45 C ATOM 966 C ARG A 68 -1.838 1.006 -7.079 1.00 0.42 C ATOM 967 O ARG A 68 -1.903 -0.209 -7.270 1.00 0.48 O ATOM 968 CB ARG A 68 -4.119 1.970 -6.529 1.00 0.60 C ATOM 969 CG ARG A 68 -4.595 1.058 -7.650 1.00 1.00 C ATOM 970 CD ARG A 68 -4.242 1.629 -9.014 1.00 1.21 C ATOM 971 NE ARG A 68 -5.003 0.997 -10.086 1.00 1.92 N ATOM 972 CZ ARG A 68 -4.468 0.606 -11.236 1.00 2.48 C ATOM 973 NH1 ARG A 68 -3.171 0.767 -11.457 1.00 2.64 N ATOM 974 NH2 ARG A 68 -5.231 0.052 -12.168 1.00 3.39 N ATOM 0 H ARG A 68 -2.579 3.773 -5.910 1.00 0.38 H new ATOM 0 HA ARG A 68 -2.769 1.007 -5.165 1.00 0.45 H new ATOM 0 HB2 ARG A 68 -4.814 1.886 -5.694 1.00 0.60 H new ATOM 0 HB3 ARG A 68 -4.163 3.002 -6.878 1.00 0.60 H new ATOM 0 HG2 ARG A 68 -4.142 0.073 -7.537 1.00 1.00 H new ATOM 0 HG3 ARG A 68 -5.674 0.923 -7.578 1.00 1.00 H new ATOM 0 HD2 ARG A 68 -4.433 2.702 -9.018 1.00 1.21 H new ATOM 0 HD3 ARG A 68 -3.176 1.494 -9.198 1.00 1.21 H new ATOM 0 HE ARG A 68 -6.002 0.847 -9.944 1.00 1.92 H new ATOM 0 HH11 ARG A 68 -2.581 1.192 -10.742 1.00 2.64 H new ATOM 0 HH12 ARG A 68 -2.763 0.465 -12.342 1.00 2.64 H new ATOM 0 HH21 ARG A 68 -6.229 -0.074 -12.001 1.00 3.39 H new ATOM 0 HH22 ARG A 68 -4.820 -0.248 -13.052 1.00 3.39 H new ATOM 988 N GLU A 69 -1.024 1.809 -7.756 1.00 0.38 N ATOM 989 CA GLU A 69 -0.138 1.315 -8.803 1.00 0.37 C ATOM 990 C GLU A 69 1.010 0.498 -8.214 1.00 0.31 C ATOM 991 O GLU A 69 1.223 -0.654 -8.591 1.00 0.34 O ATOM 992 CB GLU A 69 0.423 2.493 -9.604 1.00 0.38 C ATOM 993 CG GLU A 69 1.427 2.094 -10.674 1.00 0.67 C ATOM 994 CD GLU A 69 0.784 1.366 -11.837 1.00 1.20 C ATOM 995 OE1 GLU A 69 0.288 2.045 -12.760 1.00 1.19 O ATOM 996 OE2 GLU A 69 0.779 0.118 -11.826 1.00 2.08 O ATOM 0 H GLU A 69 -0.960 2.814 -7.596 1.00 0.38 H new ATOM 0 HA GLU A 69 -0.716 0.666 -9.461 1.00 0.37 H new ATOM 0 HB2 GLU A 69 -0.404 3.024 -10.076 1.00 0.38 H new ATOM 0 HB3 GLU A 69 0.899 3.192 -8.917 1.00 0.38 H new ATOM 0 HG2 GLU A 69 1.932 2.987 -11.044 1.00 0.67 H new ATOM 0 HG3 GLU A 69 2.191 1.457 -10.230 1.00 0.67 H new ATOM 1003 N LEU A 70 1.745 1.105 -7.286 1.00 0.24 N ATOM 1004 CA LEU A 70 2.878 0.444 -6.649 1.00 0.21 C ATOM 1005 C LEU A 70 2.422 -0.652 -5.697 1.00 0.22 C ATOM 1006 O LEU A 70 3.061 -1.698 -5.598 1.00 0.23 O ATOM 1007 CB LEU A 70 3.733 1.463 -5.894 1.00 0.20 C ATOM 1008 CG LEU A 70 4.463 2.482 -6.771 1.00 0.21 C ATOM 1009 CD1 LEU A 70 5.217 3.478 -5.907 1.00 0.22 C ATOM 1010 CD2 LEU A 70 5.417 1.781 -7.730 1.00 0.24 C ATOM 0 H LEU A 70 1.575 2.056 -6.958 1.00 0.24 H new ATOM 0 HA LEU A 70 3.475 -0.017 -7.436 1.00 0.21 H new ATOM 0 HB2 LEU A 70 3.094 2.002 -5.195 1.00 0.20 H new ATOM 0 HB3 LEU A 70 4.471 0.924 -5.300 1.00 0.20 H new ATOM 0 HG LEU A 70 3.722 3.022 -7.360 1.00 0.21 H new ATOM 0 HD11 LEU A 70 5.731 4.197 -6.545 1.00 0.22 H new ATOM 0 HD12 LEU A 70 4.514 4.004 -5.261 1.00 0.22 H new ATOM 0 HD13 LEU A 70 5.947 2.949 -5.294 1.00 0.22 H new ATOM 0 HD21 LEU A 70 5.926 2.524 -8.344 1.00 0.24 H new ATOM 0 HD22 LEU A 70 6.154 1.214 -7.161 1.00 0.24 H new ATOM 0 HD23 LEU A 70 4.855 1.103 -8.372 1.00 0.24 H new ATOM 1022 N CYS A 71 1.320 -0.409 -4.993 1.00 0.24 N ATOM 1023 CA CYS A 71 0.791 -1.390 -4.053 1.00 0.25 C ATOM 1024 C CYS A 71 0.566 -2.727 -4.743 1.00 0.24 C ATOM 1025 O CYS A 71 1.142 -3.739 -4.347 1.00 0.23 O ATOM 1026 CB CYS A 71 -0.515 -0.899 -3.430 1.00 0.32 C ATOM 1027 SG CYS A 71 -0.292 0.222 -2.031 1.00 1.10 S ATOM 0 H CYS A 71 0.779 0.454 -5.055 1.00 0.24 H new ATOM 0 HA CYS A 71 1.526 -1.523 -3.259 1.00 0.25 H new ATOM 0 HB2 CYS A 71 -1.103 -0.393 -4.196 1.00 0.32 H new ATOM 0 HB3 CYS A 71 -1.095 -1.762 -3.101 1.00 0.32 H new ATOM 0 HG CYS A 71 -1.382 0.905 -1.844 1.00 1.10 H new ATOM 1033 N GLU A 72 -0.271 -2.723 -5.778 1.00 0.25 N ATOM 1034 CA GLU A 72 -0.559 -3.942 -6.523 1.00 0.26 C ATOM 1035 C GLU A 72 0.726 -4.527 -7.092 1.00 0.23 C ATOM 1036 O GLU A 72 0.889 -5.745 -7.155 1.00 0.25 O ATOM 1037 CB GLU A 72 -1.557 -3.669 -7.646 1.00 0.34 C ATOM 1038 CG GLU A 72 -2.214 -4.929 -8.183 1.00 0.87 C ATOM 1039 CD GLU A 72 -3.222 -4.641 -9.274 1.00 1.36 C ATOM 1040 OE1 GLU A 72 -4.362 -4.260 -8.942 1.00 2.09 O ATOM 1041 OE2 GLU A 72 -2.871 -4.799 -10.461 1.00 1.68 O ATOM 0 H GLU A 72 -0.758 -1.893 -6.117 1.00 0.25 H new ATOM 0 HA GLU A 72 -1.003 -4.664 -5.838 1.00 0.26 H new ATOM 0 HB2 GLU A 72 -2.329 -2.992 -7.280 1.00 0.34 H new ATOM 0 HB3 GLU A 72 -1.045 -3.158 -8.462 1.00 0.34 H new ATOM 0 HG2 GLU A 72 -1.446 -5.598 -8.571 1.00 0.87 H new ATOM 0 HG3 GLU A 72 -2.709 -5.453 -7.365 1.00 0.87 H new ATOM 1048 N LYS A 73 1.637 -3.649 -7.509 1.00 0.23 N ATOM 1049 CA LYS A 73 2.915 -4.088 -8.048 1.00 0.23 C ATOM 1050 C LYS A 73 3.680 -4.843 -6.973 1.00 0.20 C ATOM 1051 O LYS A 73 4.399 -5.802 -7.256 1.00 0.21 O ATOM 1052 CB LYS A 73 3.740 -2.897 -8.537 1.00 0.27 C ATOM 1053 CG LYS A 73 5.013 -3.304 -9.260 1.00 0.33 C ATOM 1054 CD LYS A 73 4.717 -3.780 -10.673 1.00 0.57 C ATOM 1055 CE LYS A 73 5.830 -4.663 -11.211 1.00 0.60 C ATOM 1056 NZ LYS A 73 5.879 -5.978 -10.515 1.00 1.23 N ATOM 0 H LYS A 73 1.512 -2.637 -7.483 1.00 0.23 H new ATOM 0 HA LYS A 73 2.731 -4.744 -8.899 1.00 0.23 H new ATOM 0 HB2 LYS A 73 3.129 -2.291 -9.205 1.00 0.27 H new ATOM 0 HB3 LYS A 73 3.999 -2.269 -7.685 1.00 0.27 H new ATOM 0 HG2 LYS A 73 5.700 -2.459 -9.295 1.00 0.33 H new ATOM 0 HG3 LYS A 73 5.512 -4.097 -8.704 1.00 0.33 H new ATOM 0 HD2 LYS A 73 3.777 -4.332 -10.682 1.00 0.57 H new ATOM 0 HD3 LYS A 73 4.587 -2.918 -11.328 1.00 0.57 H new ATOM 0 HE2 LYS A 73 5.683 -4.823 -12.279 1.00 0.60 H new ATOM 0 HE3 LYS A 73 6.787 -4.154 -11.094 1.00 0.60 H new ATOM 0 HZ1 LYS A 73 6.409 -6.659 -11.096 1.00 1.23 H new ATOM 0 HZ2 LYS A 73 6.351 -5.867 -9.595 1.00 1.23 H new ATOM 0 HZ3 LYS A 73 4.911 -6.329 -10.367 1.00 1.23 H new ATOM 1070 N ALA A 74 3.512 -4.395 -5.731 1.00 0.19 N ATOM 1071 CA ALA A 74 4.161 -5.025 -4.595 1.00 0.17 C ATOM 1072 C ALA A 74 3.521 -6.375 -4.321 1.00 0.16 C ATOM 1073 O ALA A 74 4.180 -7.307 -3.868 1.00 0.16 O ATOM 1074 CB ALA A 74 4.075 -4.131 -3.368 1.00 0.18 C ATOM 0 H ALA A 74 2.928 -3.594 -5.490 1.00 0.19 H new ATOM 0 HA ALA A 74 5.215 -5.177 -4.829 1.00 0.17 H new ATOM 0 HB1 ALA A 74 4.567 -4.620 -2.527 1.00 0.18 H new ATOM 0 HB2 ALA A 74 4.568 -3.181 -3.575 1.00 0.18 H new ATOM 0 HB3 ALA A 74 3.029 -3.951 -3.122 1.00 0.18 H new ATOM 1080 N ILE A 75 2.223 -6.468 -4.596 1.00 0.16 N ATOM 1081 CA ILE A 75 1.496 -7.714 -4.411 1.00 0.16 C ATOM 1082 C ILE A 75 2.051 -8.764 -5.360 1.00 0.17 C ATOM 1083 O ILE A 75 2.172 -9.937 -5.016 1.00 0.18 O ATOM 1084 CB ILE A 75 -0.011 -7.549 -4.698 1.00 0.19 C ATOM 1085 CG1 ILE A 75 -0.592 -6.359 -3.926 1.00 0.20 C ATOM 1086 CG2 ILE A 75 -0.757 -8.832 -4.358 1.00 0.23 C ATOM 1087 CD1 ILE A 75 -0.571 -6.525 -2.425 1.00 0.23 C ATOM 0 H ILE A 75 1.657 -5.696 -4.947 1.00 0.16 H new ATOM 0 HA ILE A 75 1.620 -8.017 -3.371 1.00 0.16 H new ATOM 0 HB ILE A 75 -0.137 -7.347 -5.762 1.00 0.19 H new ATOM 0 HG12 ILE A 75 -0.032 -5.461 -4.189 1.00 0.20 H new ATOM 0 HG13 ILE A 75 -1.621 -6.199 -4.248 1.00 0.20 H new ATOM 0 HG21 ILE A 75 -1.819 -8.701 -4.565 1.00 0.23 H new ATOM 0 HG22 ILE A 75 -0.367 -9.651 -4.963 1.00 0.23 H new ATOM 0 HG23 ILE A 75 -0.619 -9.064 -3.302 1.00 0.23 H new ATOM 0 HD11 ILE A 75 -0.999 -5.640 -1.955 1.00 0.23 H new ATOM 0 HD12 ILE A 75 -1.156 -7.402 -2.148 1.00 0.23 H new ATOM 0 HD13 ILE A 75 0.457 -6.653 -2.087 1.00 0.23 H new ATOM 1099 N GLU A 76 2.388 -8.311 -6.562 1.00 0.18 N ATOM 1100 CA GLU A 76 2.937 -9.176 -7.597 1.00 0.21 C ATOM 1101 C GLU A 76 4.281 -9.750 -7.165 1.00 0.20 C ATOM 1102 O GLU A 76 4.494 -10.962 -7.204 1.00 0.24 O ATOM 1103 CB GLU A 76 3.105 -8.380 -8.893 1.00 0.24 C ATOM 1104 CG GLU A 76 3.485 -9.228 -10.094 1.00 0.77 C ATOM 1105 CD GLU A 76 2.334 -10.076 -10.594 1.00 1.47 C ATOM 1106 OE1 GLU A 76 1.354 -9.500 -11.112 1.00 1.62 O ATOM 1107 OE2 GLU A 76 2.414 -11.315 -10.470 1.00 2.35 O ATOM 0 H GLU A 76 2.288 -7.336 -6.845 1.00 0.18 H new ATOM 0 HA GLU A 76 2.247 -10.004 -7.762 1.00 0.21 H new ATOM 0 HB2 GLU A 76 2.173 -7.858 -9.110 1.00 0.24 H new ATOM 0 HB3 GLU A 76 3.870 -7.618 -8.743 1.00 0.24 H new ATOM 0 HG2 GLU A 76 3.830 -8.578 -10.899 1.00 0.77 H new ATOM 0 HG3 GLU A 76 4.320 -9.876 -9.827 1.00 0.77 H new ATOM 1114 N VAL A 77 5.182 -8.866 -6.750 1.00 0.21 N ATOM 1115 CA VAL A 77 6.515 -9.266 -6.314 1.00 0.22 C ATOM 1116 C VAL A 77 6.459 -10.117 -5.048 1.00 0.21 C ATOM 1117 O VAL A 77 7.040 -11.200 -4.993 1.00 0.24 O ATOM 1118 CB VAL A 77 7.404 -8.035 -6.053 1.00 0.22 C ATOM 1119 CG1 VAL A 77 8.785 -8.456 -5.574 1.00 0.22 C ATOM 1120 CG2 VAL A 77 7.506 -7.176 -7.304 1.00 0.25 C ATOM 0 H VAL A 77 5.012 -7.861 -6.706 1.00 0.21 H new ATOM 0 HA VAL A 77 6.945 -9.860 -7.120 1.00 0.22 H new ATOM 0 HB VAL A 77 6.941 -7.441 -5.265 1.00 0.22 H new ATOM 0 HG11 VAL A 77 9.394 -7.570 -5.396 1.00 0.22 H new ATOM 0 HG12 VAL A 77 8.692 -9.024 -4.648 1.00 0.22 H new ATOM 0 HG13 VAL A 77 9.260 -9.077 -6.334 1.00 0.22 H new ATOM 0 HG21 VAL A 77 8.138 -6.311 -7.101 1.00 0.25 H new ATOM 0 HG22 VAL A 77 7.942 -7.762 -8.113 1.00 0.25 H new ATOM 0 HG23 VAL A 77 6.511 -6.838 -7.596 1.00 0.25 H new ATOM 1130 N GLY A 78 5.763 -9.614 -4.033 1.00 0.19 N ATOM 1131 CA GLY A 78 5.645 -10.331 -2.774 1.00 0.21 C ATOM 1132 C GLY A 78 5.047 -11.714 -2.935 1.00 0.21 C ATOM 1133 O GLY A 78 5.639 -12.706 -2.512 1.00 0.27 O ATOM 0 H GLY A 78 5.276 -8.718 -4.060 1.00 0.19 H new ATOM 0 HA2 GLY A 78 6.631 -10.418 -2.318 1.00 0.21 H new ATOM 0 HA3 GLY A 78 5.027 -9.751 -2.088 1.00 0.21 H new ATOM 1137 N ARG A 79 3.871 -11.780 -3.548 1.00 0.21 N ATOM 1138 CA ARG A 79 3.188 -13.050 -3.767 1.00 0.28 C ATOM 1139 C ARG A 79 4.036 -13.981 -4.629 1.00 0.28 C ATOM 1140 O ARG A 79 3.752 -15.173 -4.743 1.00 0.33 O ATOM 1141 CB ARG A 79 1.834 -12.805 -4.434 1.00 0.39 C ATOM 1142 CG ARG A 79 0.888 -13.990 -4.368 1.00 0.81 C ATOM 1143 CD ARG A 79 -0.463 -13.647 -4.972 1.00 0.89 C ATOM 1144 NE ARG A 79 -1.439 -14.714 -4.780 1.00 1.57 N ATOM 1145 CZ ARG A 79 -2.745 -14.503 -4.654 1.00 2.03 C ATOM 1146 NH1 ARG A 79 -3.227 -13.268 -4.680 1.00 2.20 N ATOM 1147 NH2 ARG A 79 -3.571 -15.528 -4.495 1.00 2.63 N ATOM 0 H ARG A 79 3.369 -10.966 -3.903 1.00 0.21 H new ATOM 0 HA ARG A 79 3.031 -13.528 -2.800 1.00 0.28 H new ATOM 0 HB2 ARG A 79 1.358 -11.947 -3.960 1.00 0.39 H new ATOM 0 HB3 ARG A 79 1.998 -12.542 -5.479 1.00 0.39 H new ATOM 0 HG2 ARG A 79 1.323 -14.836 -4.900 1.00 0.81 H new ATOM 0 HG3 ARG A 79 0.758 -14.298 -3.331 1.00 0.81 H new ATOM 0 HD2 ARG A 79 -0.838 -12.728 -4.521 1.00 0.89 H new ATOM 0 HD3 ARG A 79 -0.344 -13.453 -6.038 1.00 0.89 H new ATOM 0 HE ARG A 79 -1.100 -15.675 -4.740 1.00 1.57 H new ATOM 0 HH11 ARG A 79 -2.595 -12.476 -4.797 1.00 2.20 H new ATOM 0 HH12 ARG A 79 -4.230 -13.110 -4.583 1.00 2.20 H new ATOM 0 HH21 ARG A 79 -3.204 -16.479 -4.469 1.00 2.63 H new ATOM 0 HH22 ARG A 79 -4.573 -15.365 -4.398 1.00 2.63 H new ATOM 1161 N GLU A 80 5.082 -13.424 -5.233 1.00 0.27 N ATOM 1162 CA GLU A 80 5.977 -14.193 -6.088 1.00 0.32 C ATOM 1163 C GLU A 80 7.228 -14.629 -5.329 1.00 0.31 C ATOM 1164 O GLU A 80 7.789 -15.691 -5.601 1.00 0.37 O ATOM 1165 CB GLU A 80 6.377 -13.360 -7.309 1.00 0.36 C ATOM 1166 CG GLU A 80 7.404 -14.038 -8.202 1.00 0.57 C ATOM 1167 CD GLU A 80 7.894 -13.137 -9.318 1.00 1.18 C ATOM 1168 OE1 GLU A 80 7.260 -13.125 -10.394 1.00 1.22 O ATOM 1169 OE2 GLU A 80 8.914 -12.445 -9.116 1.00 1.96 O ATOM 0 H GLU A 80 5.330 -12.439 -5.145 1.00 0.27 H new ATOM 0 HA GLU A 80 5.446 -15.088 -6.414 1.00 0.32 H new ATOM 0 HB2 GLU A 80 5.485 -13.142 -7.897 1.00 0.36 H new ATOM 0 HB3 GLU A 80 6.777 -12.404 -6.970 1.00 0.36 H new ATOM 0 HG2 GLU A 80 8.253 -14.354 -7.597 1.00 0.57 H new ATOM 0 HG3 GLU A 80 6.967 -14.939 -8.633 1.00 0.57 H new ATOM 1176 N ASN A 81 7.658 -13.808 -4.374 1.00 0.29 N ATOM 1177 CA ASN A 81 8.853 -14.106 -3.591 1.00 0.35 C ATOM 1178 C ASN A 81 8.496 -14.713 -2.235 1.00 0.35 C ATOM 1179 O ASN A 81 9.310 -14.709 -1.311 1.00 0.49 O ATOM 1180 CB ASN A 81 9.681 -12.834 -3.390 1.00 0.40 C ATOM 1181 CG ASN A 81 11.092 -13.127 -2.916 1.00 0.55 C ATOM 1182 OD1 ASN A 81 11.660 -14.173 -3.227 1.00 1.35 O ATOM 1183 ND2 ASN A 81 11.667 -12.199 -2.161 1.00 1.13 N ATOM 0 H ASN A 81 7.197 -12.933 -4.124 1.00 0.29 H new ATOM 0 HA ASN A 81 9.441 -14.838 -4.145 1.00 0.35 H new ATOM 0 HB2 ASN A 81 9.724 -12.281 -4.328 1.00 0.40 H new ATOM 0 HB3 ASN A 81 9.183 -12.192 -2.664 1.00 0.40 H new ATOM 0 HD21 ASN A 81 12.616 -12.339 -1.815 1.00 1.13 H new ATOM 0 HD22 ASN A 81 11.160 -11.346 -1.927 1.00 1.13 H new ATOM 1190 N ARG A 82 7.276 -15.233 -2.122 1.00 0.32 N ATOM 1191 CA ARG A 82 6.816 -15.850 -0.878 1.00 0.37 C ATOM 1192 C ARG A 82 6.886 -14.872 0.291 1.00 0.32 C ATOM 1193 O ARG A 82 7.039 -15.279 1.443 1.00 0.38 O ATOM 1194 CB ARG A 82 7.653 -17.093 -0.563 1.00 0.47 C ATOM 1195 CG ARG A 82 7.491 -18.207 -1.581 1.00 1.04 C ATOM 1196 CD ARG A 82 6.096 -18.804 -1.526 1.00 1.99 C ATOM 1197 NE ARG A 82 5.592 -19.125 -2.855 1.00 2.83 N ATOM 1198 CZ ARG A 82 4.514 -18.561 -3.387 1.00 3.77 C ATOM 1199 NH1 ARG A 82 3.828 -17.652 -2.707 1.00 4.01 N ATOM 1200 NH2 ARG A 82 4.122 -18.905 -4.604 1.00 4.67 N ATOM 0 H ARG A 82 6.588 -15.240 -2.875 1.00 0.32 H new ATOM 0 HA ARG A 82 5.774 -16.138 -1.018 1.00 0.37 H new ATOM 0 HB2 ARG A 82 8.704 -16.810 -0.511 1.00 0.47 H new ATOM 0 HB3 ARG A 82 7.375 -17.468 0.422 1.00 0.47 H new ATOM 0 HG2 ARG A 82 7.684 -17.820 -2.581 1.00 1.04 H new ATOM 0 HG3 ARG A 82 8.230 -18.986 -1.392 1.00 1.04 H new ATOM 0 HD2 ARG A 82 6.111 -19.707 -0.915 1.00 1.99 H new ATOM 0 HD3 ARG A 82 5.419 -18.101 -1.040 1.00 1.99 H new ATOM 0 HE ARG A 82 6.094 -19.821 -3.406 1.00 2.83 H new ATOM 0 HH11 ARG A 82 4.128 -17.383 -1.770 1.00 4.01 H new ATOM 0 HH12 ARG A 82 3.001 -17.222 -3.121 1.00 4.01 H new ATOM 0 HH21 ARG A 82 4.648 -19.602 -5.131 1.00 4.67 H new ATOM 0 HH22 ARG A 82 3.294 -18.473 -5.014 1.00 4.67 H new ATOM 1214 N GLU A 83 6.774 -13.584 -0.009 1.00 0.27 N ATOM 1215 CA GLU A 83 6.827 -12.554 1.021 1.00 0.27 C ATOM 1216 C GLU A 83 5.607 -12.635 1.937 1.00 0.25 C ATOM 1217 O GLU A 83 4.594 -13.242 1.587 1.00 0.25 O ATOM 1218 CB GLU A 83 6.913 -11.170 0.375 1.00 0.28 C ATOM 1219 CG GLU A 83 7.252 -10.056 1.353 1.00 0.43 C ATOM 1220 CD GLU A 83 8.576 -10.276 2.056 1.00 0.94 C ATOM 1221 OE1 GLU A 83 9.627 -9.977 1.451 1.00 1.15 O ATOM 1222 OE2 GLU A 83 8.563 -10.747 3.212 1.00 1.60 O ATOM 0 H GLU A 83 6.646 -13.228 -0.956 1.00 0.27 H new ATOM 0 HA GLU A 83 7.718 -12.720 1.627 1.00 0.27 H new ATOM 0 HB2 GLU A 83 7.668 -11.193 -0.411 1.00 0.28 H new ATOM 0 HB3 GLU A 83 5.960 -10.943 -0.104 1.00 0.28 H new ATOM 0 HG2 GLU A 83 7.283 -9.106 0.819 1.00 0.43 H new ATOM 0 HG3 GLU A 83 6.459 -9.978 2.097 1.00 0.43 H new ATOM 1229 N ASP A 84 5.721 -12.022 3.113 1.00 0.26 N ATOM 1230 CA ASP A 84 4.642 -12.013 4.097 1.00 0.26 C ATOM 1231 C ASP A 84 3.320 -11.579 3.466 1.00 0.25 C ATOM 1232 O ASP A 84 3.190 -10.453 2.986 1.00 0.26 O ATOM 1233 CB ASP A 84 5.005 -11.077 5.251 1.00 0.29 C ATOM 1234 CG ASP A 84 3.880 -10.916 6.252 1.00 0.44 C ATOM 1235 OD1 ASP A 84 3.505 -11.920 6.892 1.00 0.82 O ATOM 1236 OD2 ASP A 84 3.374 -9.783 6.395 1.00 0.68 O ATOM 0 H ASP A 84 6.558 -11.521 3.409 1.00 0.26 H new ATOM 0 HA ASP A 84 4.516 -13.027 4.476 1.00 0.26 H new ATOM 0 HB2 ASP A 84 5.887 -11.463 5.762 1.00 0.29 H new ATOM 0 HB3 ASP A 84 5.271 -10.099 4.850 1.00 0.29 H new ATOM 1241 N TYR A 85 2.341 -12.484 3.472 1.00 0.26 N ATOM 1242 CA TYR A 85 1.032 -12.193 2.899 1.00 0.26 C ATOM 1243 C TYR A 85 0.286 -11.165 3.741 1.00 0.27 C ATOM 1244 O TYR A 85 -0.585 -10.456 3.238 1.00 0.26 O ATOM 1245 CB TYR A 85 0.201 -13.473 2.761 1.00 0.27 C ATOM 1246 CG TYR A 85 -0.109 -14.153 4.075 1.00 0.29 C ATOM 1247 CD1 TYR A 85 -1.235 -13.805 4.811 1.00 0.34 C ATOM 1248 CD2 TYR A 85 0.721 -15.148 4.576 1.00 0.33 C ATOM 1249 CE1 TYR A 85 -1.524 -14.429 6.009 1.00 0.37 C ATOM 1250 CE2 TYR A 85 0.439 -15.777 5.774 1.00 0.37 C ATOM 1251 CZ TYR A 85 -0.684 -15.413 6.486 1.00 0.38 C ATOM 1252 OH TYR A 85 -0.968 -16.036 7.679 1.00 0.44 O ATOM 0 H TYR A 85 2.431 -13.420 3.866 1.00 0.26 H new ATOM 0 HA TYR A 85 1.188 -11.774 1.905 1.00 0.26 H new ATOM 0 HB2 TYR A 85 -0.736 -13.232 2.259 1.00 0.27 H new ATOM 0 HB3 TYR A 85 0.736 -14.173 2.119 1.00 0.27 H new ATOM 0 HD1 TYR A 85 -1.895 -13.034 4.441 1.00 0.34 H new ATOM 0 HD2 TYR A 85 1.601 -15.435 4.020 1.00 0.33 H new ATOM 0 HE1 TYR A 85 -2.403 -14.148 6.569 1.00 0.37 H new ATOM 0 HE2 TYR A 85 1.094 -16.549 6.150 1.00 0.37 H new ATOM 0 HH TYR A 85 -0.278 -16.705 7.871 1.00 0.44 H new ATOM 1262 N ARG A 86 0.622 -11.092 5.028 1.00 0.30 N ATOM 1263 CA ARG A 86 -0.012 -10.128 5.918 1.00 0.33 C ATOM 1264 C ARG A 86 0.244 -8.718 5.405 1.00 0.32 C ATOM 1265 O ARG A 86 -0.626 -7.851 5.478 1.00 0.32 O ATOM 1266 CB ARG A 86 0.506 -10.279 7.349 1.00 0.40 C ATOM 1267 CG ARG A 86 -0.227 -11.346 8.145 1.00 0.44 C ATOM 1268 CD ARG A 86 0.672 -12.528 8.463 1.00 0.55 C ATOM 1269 NE ARG A 86 1.830 -12.135 9.258 1.00 1.57 N ATOM 1270 CZ ARG A 86 1.955 -12.387 10.558 1.00 1.98 C ATOM 1271 NH1 ARG A 86 0.986 -13.014 11.211 1.00 1.57 N ATOM 1272 NH2 ARG A 86 3.046 -12.007 11.207 1.00 3.04 N ATOM 0 H ARG A 86 1.324 -11.684 5.472 1.00 0.30 H new ATOM 0 HA ARG A 86 -1.085 -10.317 5.932 1.00 0.33 H new ATOM 0 HB2 ARG A 86 1.568 -10.523 7.320 1.00 0.40 H new ATOM 0 HB3 ARG A 86 0.413 -9.323 7.864 1.00 0.40 H new ATOM 0 HG2 ARG A 86 -0.602 -10.914 9.073 1.00 0.44 H new ATOM 0 HG3 ARG A 86 -1.094 -11.690 7.580 1.00 0.44 H new ATOM 0 HD2 ARG A 86 0.101 -13.283 9.003 1.00 0.55 H new ATOM 0 HD3 ARG A 86 1.009 -12.987 7.534 1.00 0.55 H new ATOM 0 HE ARG A 86 2.588 -11.638 8.790 1.00 1.57 H new ATOM 0 HH11 ARG A 86 0.142 -13.304 10.716 1.00 1.57 H new ATOM 0 HH12 ARG A 86 1.084 -13.206 12.208 1.00 1.57 H new ATOM 0 HH21 ARG A 86 3.792 -11.520 10.710 1.00 3.04 H new ATOM 0 HH22 ARG A 86 3.140 -12.201 12.204 1.00 3.04 H new ATOM 1286 N GLN A 87 1.448 -8.503 4.882 1.00 0.33 N ATOM 1287 CA GLN A 87 1.820 -7.213 4.320 1.00 0.33 C ATOM 1288 C GLN A 87 1.071 -6.999 3.014 1.00 0.28 C ATOM 1289 O GLN A 87 0.701 -5.877 2.667 1.00 0.28 O ATOM 1290 CB GLN A 87 3.329 -7.147 4.073 1.00 0.39 C ATOM 1291 CG GLN A 87 4.084 -6.342 5.118 1.00 0.49 C ATOM 1292 CD GLN A 87 3.699 -4.874 5.121 1.00 0.57 C ATOM 1293 OE1 GLN A 87 3.734 -4.216 6.160 1.00 1.14 O ATOM 1294 NE2 GLN A 87 3.332 -4.351 3.957 1.00 1.46 N ATOM 0 H GLN A 87 2.183 -9.209 4.837 1.00 0.33 H new ATOM 0 HA GLN A 87 1.554 -6.428 5.028 1.00 0.33 H new ATOM 0 HB2 GLN A 87 3.729 -8.161 4.049 1.00 0.39 H new ATOM 0 HB3 GLN A 87 3.509 -6.710 3.091 1.00 0.39 H new ATOM 0 HG2 GLN A 87 3.892 -6.765 6.104 1.00 0.49 H new ATOM 0 HG3 GLN A 87 5.155 -6.432 4.935 1.00 0.49 H new ATOM 0 HE21 GLN A 87 3.317 -4.932 3.119 1.00 1.46 H new ATOM 0 HE22 GLN A 87 3.065 -3.368 3.901 1.00 1.46 H new ATOM 1303 N ILE A 88 0.854 -8.098 2.295 1.00 0.25 N ATOM 1304 CA ILE A 88 0.136 -8.066 1.031 1.00 0.22 C ATOM 1305 C ILE A 88 -1.286 -7.560 1.251 1.00 0.20 C ATOM 1306 O ILE A 88 -1.823 -6.813 0.433 1.00 0.20 O ATOM 1307 CB ILE A 88 0.115 -9.467 0.371 1.00 0.21 C ATOM 1308 CG1 ILE A 88 1.440 -9.722 -0.352 1.00 0.22 C ATOM 1309 CG2 ILE A 88 -1.056 -9.612 -0.592 1.00 0.20 C ATOM 1310 CD1 ILE A 88 1.617 -11.152 -0.815 1.00 0.23 C ATOM 0 H ILE A 88 1.170 -9.027 2.573 1.00 0.25 H new ATOM 0 HA ILE A 88 0.654 -7.384 0.357 1.00 0.22 H new ATOM 0 HB ILE A 88 -0.013 -10.211 1.157 1.00 0.21 H new ATOM 0 HG12 ILE A 88 1.506 -9.060 -1.215 1.00 0.22 H new ATOM 0 HG13 ILE A 88 2.263 -9.461 0.314 1.00 0.22 H new ATOM 0 HG21 ILE A 88 -1.040 -10.607 -1.037 1.00 0.20 H new ATOM 0 HG22 ILE A 88 -1.992 -9.472 -0.051 1.00 0.20 H new ATOM 0 HG23 ILE A 88 -0.976 -8.861 -1.378 1.00 0.20 H new ATOM 0 HD11 ILE A 88 2.578 -11.255 -1.318 1.00 0.23 H new ATOM 0 HD12 ILE A 88 1.584 -11.820 0.046 1.00 0.23 H new ATOM 0 HD13 ILE A 88 0.816 -11.412 -1.507 1.00 0.23 H new ATOM 1322 N ALA A 89 -1.887 -7.970 2.365 1.00 0.21 N ATOM 1323 CA ALA A 89 -3.237 -7.543 2.701 1.00 0.21 C ATOM 1324 C ALA A 89 -3.245 -6.063 3.056 1.00 0.22 C ATOM 1325 O ALA A 89 -4.142 -5.323 2.653 1.00 0.21 O ATOM 1326 CB ALA A 89 -3.788 -8.371 3.848 1.00 0.24 C ATOM 0 H ALA A 89 -1.459 -8.596 3.047 1.00 0.21 H new ATOM 0 HA ALA A 89 -3.878 -7.696 1.833 1.00 0.21 H new ATOM 0 HB1 ALA A 89 -4.798 -8.037 4.085 1.00 0.24 H new ATOM 0 HB2 ALA A 89 -3.811 -9.422 3.560 1.00 0.24 H new ATOM 0 HB3 ALA A 89 -3.151 -8.249 4.724 1.00 0.24 H new ATOM 1332 N LYS A 90 -2.239 -5.638 3.820 1.00 0.24 N ATOM 1333 CA LYS A 90 -2.120 -4.238 4.204 1.00 0.27 C ATOM 1334 C LYS A 90 -1.990 -3.387 2.952 1.00 0.24 C ATOM 1335 O LYS A 90 -2.460 -2.250 2.903 1.00 0.26 O ATOM 1336 CB LYS A 90 -0.911 -4.025 5.117 1.00 0.33 C ATOM 1337 CG LYS A 90 -0.974 -4.817 6.416 1.00 0.46 C ATOM 1338 CD LYS A 90 -2.154 -4.397 7.282 1.00 0.50 C ATOM 1339 CE LYS A 90 -1.996 -2.975 7.797 1.00 0.67 C ATOM 1340 NZ LYS A 90 -3.116 -2.583 8.697 1.00 1.26 N ATOM 0 H LYS A 90 -1.500 -6.241 4.182 1.00 0.24 H new ATOM 0 HA LYS A 90 -3.013 -3.944 4.756 1.00 0.27 H new ATOM 0 HB2 LYS A 90 -0.006 -4.303 4.577 1.00 0.33 H new ATOM 0 HB3 LYS A 90 -0.828 -2.964 5.353 1.00 0.33 H new ATOM 0 HG2 LYS A 90 -1.051 -5.880 6.189 1.00 0.46 H new ATOM 0 HG3 LYS A 90 -0.047 -4.676 6.972 1.00 0.46 H new ATOM 0 HD2 LYS A 90 -3.075 -4.475 6.704 1.00 0.50 H new ATOM 0 HD3 LYS A 90 -2.248 -5.081 8.125 1.00 0.50 H new ATOM 0 HE2 LYS A 90 -1.051 -2.886 8.333 1.00 0.67 H new ATOM 0 HE3 LYS A 90 -1.950 -2.286 6.953 1.00 0.67 H new ATOM 0 HZ1 LYS A 90 -2.971 -1.607 9.027 1.00 1.26 H new ATOM 0 HZ2 LYS A 90 -4.015 -2.643 8.178 1.00 1.26 H new ATOM 0 HZ3 LYS A 90 -3.144 -3.224 9.515 1.00 1.26 H new ATOM 1354 N ALA A 91 -1.339 -3.953 1.939 1.00 0.23 N ATOM 1355 CA ALA A 91 -1.167 -3.272 0.669 1.00 0.22 C ATOM 1356 C ALA A 91 -2.507 -3.197 -0.044 1.00 0.19 C ATOM 1357 O ALA A 91 -2.868 -2.162 -0.601 1.00 0.20 O ATOM 1358 CB ALA A 91 -0.137 -3.989 -0.187 1.00 0.22 C ATOM 0 H ALA A 91 -0.923 -4.883 1.978 1.00 0.23 H new ATOM 0 HA ALA A 91 -0.802 -2.261 0.848 1.00 0.22 H new ATOM 0 HB1 ALA A 91 -0.022 -3.463 -1.135 1.00 0.22 H new ATOM 0 HB2 ALA A 91 0.820 -4.009 0.335 1.00 0.22 H new ATOM 0 HB3 ALA A 91 -0.468 -5.010 -0.376 1.00 0.22 H new ATOM 1364 N TYR A 92 -3.244 -4.309 -0.014 1.00 0.17 N ATOM 1365 CA TYR A 92 -4.565 -4.365 -0.624 1.00 0.16 C ATOM 1366 C TYR A 92 -5.450 -3.304 0.005 1.00 0.16 C ATOM 1367 O TYR A 92 -6.293 -2.702 -0.658 1.00 0.16 O ATOM 1368 CB TYR A 92 -5.203 -5.743 -0.421 1.00 0.15 C ATOM 1369 CG TYR A 92 -4.852 -6.760 -1.484 1.00 0.15 C ATOM 1370 CD1 TYR A 92 -5.095 -6.503 -2.827 1.00 0.20 C ATOM 1371 CD2 TYR A 92 -4.290 -7.983 -1.141 1.00 0.16 C ATOM 1372 CE1 TYR A 92 -4.785 -7.435 -3.799 1.00 0.22 C ATOM 1373 CE2 TYR A 92 -3.979 -8.920 -2.107 1.00 0.18 C ATOM 1374 CZ TYR A 92 -4.227 -8.642 -3.434 1.00 0.21 C ATOM 1375 OH TYR A 92 -3.919 -9.575 -4.398 1.00 0.24 O ATOM 0 H TYR A 92 -2.945 -5.179 0.426 1.00 0.17 H new ATOM 0 HA TYR A 92 -4.463 -4.185 -1.694 1.00 0.16 H new ATOM 0 HB2 TYR A 92 -4.897 -6.131 0.550 1.00 0.15 H new ATOM 0 HB3 TYR A 92 -6.286 -5.627 -0.391 1.00 0.15 H new ATOM 0 HD1 TYR A 92 -5.533 -5.559 -3.116 1.00 0.20 H new ATOM 0 HD2 TYR A 92 -4.093 -8.205 -0.103 1.00 0.16 H new ATOM 0 HE1 TYR A 92 -4.979 -7.219 -4.839 1.00 0.22 H new ATOM 0 HE2 TYR A 92 -3.543 -9.867 -1.824 1.00 0.18 H new ATOM 0 HH TYR A 92 -3.532 -10.369 -3.973 1.00 0.24 H new ATOM 1385 N ALA A 93 -5.242 -3.085 1.301 1.00 0.20 N ATOM 1386 CA ALA A 93 -5.999 -2.092 2.042 1.00 0.21 C ATOM 1387 C ALA A 93 -5.695 -0.702 1.508 1.00 0.23 C ATOM 1388 O ALA A 93 -6.591 0.128 1.374 1.00 0.26 O ATOM 1389 CB ALA A 93 -5.678 -2.181 3.527 1.00 0.25 C ATOM 0 H ALA A 93 -4.551 -3.587 1.858 1.00 0.20 H new ATOM 0 HA ALA A 93 -7.063 -2.289 1.912 1.00 0.21 H new ATOM 0 HB1 ALA A 93 -6.253 -1.430 4.069 1.00 0.25 H new ATOM 0 HB2 ALA A 93 -5.937 -3.173 3.896 1.00 0.25 H new ATOM 0 HB3 ALA A 93 -4.614 -2.003 3.680 1.00 0.25 H new ATOM 1395 N ARG A 94 -4.423 -0.459 1.202 1.00 0.24 N ATOM 1396 CA ARG A 94 -4.000 0.827 0.667 1.00 0.27 C ATOM 1397 C ARG A 94 -4.559 1.029 -0.733 1.00 0.24 C ATOM 1398 O ARG A 94 -4.887 2.149 -1.120 1.00 0.27 O ATOM 1399 CB ARG A 94 -2.477 0.930 0.651 1.00 0.34 C ATOM 1400 CG ARG A 94 -1.878 1.131 2.030 1.00 0.77 C ATOM 1401 CD ARG A 94 -0.400 1.463 1.956 1.00 0.53 C ATOM 1402 NE ARG A 94 0.165 1.700 3.280 1.00 0.72 N ATOM 1403 CZ ARG A 94 1.353 1.250 3.665 1.00 0.69 C ATOM 1404 NH1 ARG A 94 2.104 0.555 2.822 1.00 1.50 N ATOM 1405 NH2 ARG A 94 1.790 1.495 4.891 1.00 0.88 N ATOM 0 H ARG A 94 -3.670 -1.137 1.316 1.00 0.24 H new ATOM 0 HA ARG A 94 -4.390 1.612 1.315 1.00 0.27 H new ATOM 0 HB2 ARG A 94 -2.062 0.023 0.210 1.00 0.34 H new ATOM 0 HB3 ARG A 94 -2.182 1.760 0.009 1.00 0.34 H new ATOM 0 HG2 ARG A 94 -2.406 1.935 2.543 1.00 0.77 H new ATOM 0 HG3 ARG A 94 -2.019 0.228 2.623 1.00 0.77 H new ATOM 0 HD2 ARG A 94 0.134 0.644 1.474 1.00 0.53 H new ATOM 0 HD3 ARG A 94 -0.256 2.347 1.335 1.00 0.53 H new ATOM 0 HE ARG A 94 -0.384 2.242 3.947 1.00 0.72 H new ATOM 0 HH11 ARG A 94 1.769 0.366 1.877 1.00 1.50 H new ATOM 0 HH12 ARG A 94 3.017 0.209 3.118 1.00 1.50 H new ATOM 0 HH21 ARG A 94 1.214 2.030 5.541 1.00 0.88 H new ATOM 0 HH22 ARG A 94 2.703 1.149 5.186 1.00 0.88 H new ATOM 1419 N ILE A 95 -4.656 -0.058 -1.496 1.00 0.21 N ATOM 1420 CA ILE A 95 -5.211 0.016 -2.839 1.00 0.21 C ATOM 1421 C ILE A 95 -6.665 0.440 -2.744 1.00 0.20 C ATOM 1422 O ILE A 95 -7.102 1.369 -3.421 1.00 0.24 O ATOM 1423 CB ILE A 95 -5.129 -1.333 -3.581 1.00 0.19 C ATOM 1424 CG1 ILE A 95 -3.680 -1.813 -3.658 1.00 0.26 C ATOM 1425 CG2 ILE A 95 -5.724 -1.202 -4.976 1.00 0.28 C ATOM 1426 CD1 ILE A 95 -3.524 -3.198 -4.250 1.00 0.22 C ATOM 0 H ILE A 95 -4.360 -0.990 -1.208 1.00 0.21 H new ATOM 0 HA ILE A 95 -4.624 0.740 -3.404 1.00 0.21 H new ATOM 0 HB ILE A 95 -5.705 -2.073 -3.026 1.00 0.19 H new ATOM 0 HG12 ILE A 95 -3.104 -1.106 -4.256 1.00 0.26 H new ATOM 0 HG13 ILE A 95 -3.251 -1.806 -2.656 1.00 0.26 H new ATOM 0 HG21 ILE A 95 -5.660 -2.161 -5.490 1.00 0.28 H new ATOM 0 HG22 ILE A 95 -6.769 -0.900 -4.899 1.00 0.28 H new ATOM 0 HG23 ILE A 95 -5.170 -0.451 -5.539 1.00 0.28 H new ATOM 0 HD11 ILE A 95 -2.468 -3.468 -4.271 1.00 0.22 H new ATOM 0 HD12 ILE A 95 -4.070 -3.918 -3.641 1.00 0.22 H new ATOM 0 HD13 ILE A 95 -3.921 -3.207 -5.265 1.00 0.22 H new ATOM 1438 N GLY A 96 -7.405 -0.254 -1.884 1.00 0.17 N ATOM 1439 CA GLY A 96 -8.801 0.063 -1.681 1.00 0.18 C ATOM 1440 C GLY A 96 -8.967 1.412 -1.019 1.00 0.20 C ATOM 1441 O GLY A 96 -9.998 2.064 -1.170 1.00 0.23 O ATOM 0 H GLY A 96 -7.058 -1.032 -1.324 1.00 0.17 H new ATOM 0 HA2 GLY A 96 -9.320 0.059 -2.639 1.00 0.18 H new ATOM 0 HA3 GLY A 96 -9.265 -0.707 -1.064 1.00 0.18 H new ATOM 1445 N ASN A 97 -7.943 1.827 -0.275 1.00 0.20 N ATOM 1446 CA ASN A 97 -7.963 3.117 0.403 1.00 0.25 C ATOM 1447 C ASN A 97 -7.758 4.225 -0.618 1.00 0.25 C ATOM 1448 O ASN A 97 -8.331 5.308 -0.502 1.00 0.27 O ATOM 1449 CB ASN A 97 -6.877 3.183 1.480 1.00 0.31 C ATOM 1450 CG ASN A 97 -7.307 3.990 2.689 1.00 0.72 C ATOM 1451 OD1 ASN A 97 -8.083 4.938 2.574 1.00 1.32 O ATOM 1452 ND2 ASN A 97 -6.806 3.613 3.859 1.00 1.64 N ATOM 0 H ASN A 97 -7.090 1.287 -0.128 1.00 0.20 H new ATOM 0 HA ASN A 97 -8.929 3.245 0.891 1.00 0.25 H new ATOM 0 HB2 ASN A 97 -6.620 2.172 1.795 1.00 0.31 H new ATOM 0 HB3 ASN A 97 -5.975 3.623 1.055 1.00 0.31 H new ATOM 0 HD21 ASN A 97 -7.062 4.116 4.709 1.00 1.64 H new ATOM 0 HD22 ASN A 97 -6.166 2.821 3.908 1.00 1.64 H new ATOM 1459 N SER A 98 -6.929 3.938 -1.620 1.00 0.26 N ATOM 1460 CA SER A 98 -6.662 4.891 -2.685 1.00 0.29 C ATOM 1461 C SER A 98 -7.956 5.169 -3.430 1.00 0.29 C ATOM 1462 O SER A 98 -8.268 6.312 -3.764 1.00 0.32 O ATOM 1463 CB SER A 98 -5.606 4.342 -3.647 1.00 0.32 C ATOM 1464 OG SER A 98 -4.388 4.075 -2.973 1.00 0.94 O ATOM 0 H SER A 98 -6.433 3.052 -1.713 1.00 0.26 H new ATOM 0 HA SER A 98 -6.277 5.816 -2.255 1.00 0.29 H new ATOM 0 HB2 SER A 98 -5.975 3.428 -4.113 1.00 0.32 H new ATOM 0 HB3 SER A 98 -5.432 5.060 -4.448 1.00 0.32 H new ATOM 0 HG SER A 98 -4.534 3.383 -2.295 1.00 0.94 H new ATOM 1470 N TYR A 99 -8.707 4.101 -3.681 1.00 0.28 N ATOM 1471 CA TYR A 99 -9.991 4.210 -4.351 1.00 0.29 C ATOM 1472 C TYR A 99 -10.996 4.858 -3.410 1.00 0.28 C ATOM 1473 O TYR A 99 -11.837 5.652 -3.821 1.00 0.31 O ATOM 1474 CB TYR A 99 -10.500 2.831 -4.774 1.00 0.26 C ATOM 1475 CG TYR A 99 -9.703 2.188 -5.887 1.00 0.29 C ATOM 1476 CD1 TYR A 99 -9.618 2.778 -7.141 1.00 0.36 C ATOM 1477 CD2 TYR A 99 -9.048 0.981 -5.685 1.00 0.28 C ATOM 1478 CE1 TYR A 99 -8.906 2.181 -8.164 1.00 0.40 C ATOM 1479 CE2 TYR A 99 -8.330 0.380 -6.700 1.00 0.32 C ATOM 1480 CZ TYR A 99 -8.262 0.983 -7.937 1.00 0.37 C ATOM 1481 OH TYR A 99 -7.553 0.384 -8.953 1.00 0.43 O ATOM 0 H TYR A 99 -8.444 3.149 -3.428 1.00 0.28 H new ATOM 0 HA TYR A 99 -9.870 4.823 -5.244 1.00 0.29 H new ATOM 0 HB2 TYR A 99 -10.489 2.171 -3.907 1.00 0.26 H new ATOM 0 HB3 TYR A 99 -11.539 2.922 -5.092 1.00 0.26 H new ATOM 0 HD1 TYR A 99 -10.117 3.719 -7.320 1.00 0.36 H new ATOM 0 HD2 TYR A 99 -9.101 0.504 -4.718 1.00 0.28 H new ATOM 0 HE1 TYR A 99 -8.854 2.650 -9.135 1.00 0.40 H new ATOM 0 HE2 TYR A 99 -7.824 -0.558 -6.525 1.00 0.32 H new ATOM 0 HH TYR A 99 -7.159 -0.452 -8.628 1.00 0.43 H new ATOM 1491 N PHE A 100 -10.879 4.512 -2.134 1.00 0.26 N ATOM 1492 CA PHE A 100 -11.757 5.041 -1.099 1.00 0.27 C ATOM 1493 C PHE A 100 -11.628 6.558 -1.008 1.00 0.32 C ATOM 1494 O PHE A 100 -12.499 7.235 -0.462 1.00 0.40 O ATOM 1495 CB PHE A 100 -11.403 4.399 0.246 1.00 0.25 C ATOM 1496 CG PHE A 100 -12.347 4.745 1.362 1.00 0.28 C ATOM 1497 CD1 PHE A 100 -13.550 4.073 1.501 1.00 0.28 C ATOM 1498 CD2 PHE A 100 -12.025 5.734 2.276 1.00 0.38 C ATOM 1499 CE1 PHE A 100 -14.417 4.383 2.531 1.00 0.32 C ATOM 1500 CE2 PHE A 100 -12.887 6.048 3.310 1.00 0.43 C ATOM 1501 CZ PHE A 100 -14.085 5.372 3.437 1.00 0.37 C ATOM 0 H PHE A 100 -10.175 3.859 -1.789 1.00 0.26 H new ATOM 0 HA PHE A 100 -12.789 4.802 -1.354 1.00 0.27 H new ATOM 0 HB2 PHE A 100 -11.383 3.316 0.125 1.00 0.25 H new ATOM 0 HB3 PHE A 100 -10.396 4.706 0.529 1.00 0.25 H new ATOM 0 HD1 PHE A 100 -13.813 3.298 0.796 1.00 0.28 H new ATOM 0 HD2 PHE A 100 -11.090 6.266 2.180 1.00 0.38 H new ATOM 0 HE1 PHE A 100 -15.353 3.853 2.628 1.00 0.32 H new ATOM 0 HE2 PHE A 100 -12.624 6.821 4.017 1.00 0.43 H new ATOM 0 HZ PHE A 100 -14.761 5.616 4.243 1.00 0.37 H new ATOM 1511 N LYS A 101 -10.535 7.084 -1.553 1.00 0.32 N ATOM 1512 CA LYS A 101 -10.280 8.520 -1.529 1.00 0.38 C ATOM 1513 C LYS A 101 -10.660 9.186 -2.849 1.00 0.41 C ATOM 1514 O LYS A 101 -11.089 10.340 -2.866 1.00 0.51 O ATOM 1515 CB LYS A 101 -8.805 8.786 -1.222 1.00 0.44 C ATOM 1516 CG LYS A 101 -8.430 8.561 0.234 1.00 0.57 C ATOM 1517 CD LYS A 101 -9.103 9.576 1.144 1.00 0.68 C ATOM 1518 CE LYS A 101 -8.638 9.434 2.583 1.00 0.63 C ATOM 1519 NZ LYS A 101 -9.317 10.407 3.482 1.00 0.74 N ATOM 0 H LYS A 101 -9.811 6.536 -2.017 1.00 0.32 H new ATOM 0 HA LYS A 101 -10.903 8.951 -0.745 1.00 0.38 H new ATOM 0 HB2 LYS A 101 -8.191 8.140 -1.849 1.00 0.44 H new ATOM 0 HB3 LYS A 101 -8.567 9.814 -1.494 1.00 0.44 H new ATOM 0 HG2 LYS A 101 -8.719 7.554 0.534 1.00 0.57 H new ATOM 0 HG3 LYS A 101 -7.348 8.630 0.347 1.00 0.57 H new ATOM 0 HD2 LYS A 101 -8.886 10.583 0.789 1.00 0.68 H new ATOM 0 HD3 LYS A 101 -10.184 9.447 1.096 1.00 0.68 H new ATOM 0 HE2 LYS A 101 -8.835 8.420 2.930 1.00 0.63 H new ATOM 0 HE3 LYS A 101 -7.560 9.584 2.633 1.00 0.63 H new ATOM 0 HZ1 LYS A 101 -8.973 10.279 4.455 1.00 0.74 H new ATOM 0 HZ2 LYS A 101 -9.109 11.376 3.166 1.00 0.74 H new ATOM 0 HZ3 LYS A 101 -10.344 10.247 3.454 1.00 0.74 H new ATOM 1533 N GLU A 102 -10.504 8.460 -3.955 1.00 0.37 N ATOM 1534 CA GLU A 102 -10.828 9.006 -5.271 1.00 0.40 C ATOM 1535 C GLU A 102 -12.283 8.729 -5.647 1.00 0.39 C ATOM 1536 O GLU A 102 -12.658 8.816 -6.817 1.00 0.42 O ATOM 1537 CB GLU A 102 -9.885 8.441 -6.336 1.00 0.40 C ATOM 1538 CG GLU A 102 -10.103 6.970 -6.634 1.00 0.38 C ATOM 1539 CD GLU A 102 -9.062 6.412 -7.584 1.00 0.44 C ATOM 1540 OE1 GLU A 102 -9.083 6.788 -8.775 1.00 0.57 O ATOM 1541 OE2 GLU A 102 -8.224 5.601 -7.136 1.00 0.45 O ATOM 0 H GLU A 102 -10.158 7.500 -3.966 1.00 0.37 H new ATOM 0 HA GLU A 102 -10.694 10.087 -5.223 1.00 0.40 H new ATOM 0 HB2 GLU A 102 -10.011 9.010 -7.257 1.00 0.40 H new ATOM 0 HB3 GLU A 102 -8.855 8.586 -6.009 1.00 0.40 H new ATOM 0 HG2 GLU A 102 -10.079 6.406 -5.702 1.00 0.38 H new ATOM 0 HG3 GLU A 102 -11.095 6.833 -7.065 1.00 0.38 H new ATOM 1548 N GLU A 103 -13.092 8.384 -4.644 1.00 0.36 N ATOM 1549 CA GLU A 103 -14.519 8.119 -4.842 1.00 0.35 C ATOM 1550 C GLU A 103 -14.772 6.863 -5.681 1.00 0.35 C ATOM 1551 O GLU A 103 -15.817 6.733 -6.319 1.00 0.45 O ATOM 1552 CB GLU A 103 -15.185 9.332 -5.494 1.00 0.38 C ATOM 1553 CG GLU A 103 -16.684 9.410 -5.261 1.00 1.11 C ATOM 1554 CD GLU A 103 -17.264 10.739 -5.698 1.00 1.17 C ATOM 1555 OE1 GLU A 103 -17.166 11.712 -4.921 1.00 1.31 O ATOM 1556 OE2 GLU A 103 -17.814 10.808 -6.816 1.00 1.47 O ATOM 0 H GLU A 103 -12.780 8.281 -3.678 1.00 0.36 H new ATOM 0 HA GLU A 103 -14.956 7.939 -3.860 1.00 0.35 H new ATOM 0 HB2 GLU A 103 -14.720 10.240 -5.110 1.00 0.38 H new ATOM 0 HB3 GLU A 103 -14.995 9.306 -6.567 1.00 0.38 H new ATOM 0 HG2 GLU A 103 -17.177 8.604 -5.805 1.00 1.11 H new ATOM 0 HG3 GLU A 103 -16.894 9.255 -4.203 1.00 1.11 H new ATOM 1563 N LYS A 104 -13.814 5.942 -5.682 1.00 0.32 N ATOM 1564 CA LYS A 104 -13.953 4.690 -6.424 1.00 0.31 C ATOM 1565 C LYS A 104 -14.226 3.535 -5.465 1.00 0.28 C ATOM 1566 O LYS A 104 -13.544 2.511 -5.496 1.00 0.27 O ATOM 1567 CB LYS A 104 -12.690 4.403 -7.239 1.00 0.34 C ATOM 1568 CG LYS A 104 -12.684 5.054 -8.611 1.00 0.64 C ATOM 1569 CD LYS A 104 -11.452 4.654 -9.405 1.00 0.47 C ATOM 1570 CE LYS A 104 -11.518 5.164 -10.833 1.00 1.11 C ATOM 1571 NZ LYS A 104 -12.627 4.532 -11.598 1.00 1.89 N ATOM 0 H LYS A 104 -12.932 6.037 -5.178 1.00 0.32 H new ATOM 0 HA LYS A 104 -14.795 4.790 -7.109 1.00 0.31 H new ATOM 0 HB2 LYS A 104 -11.821 4.749 -6.679 1.00 0.34 H new ATOM 0 HB3 LYS A 104 -12.583 3.325 -7.358 1.00 0.34 H new ATOM 0 HG2 LYS A 104 -13.582 4.764 -9.157 1.00 0.64 H new ATOM 0 HG3 LYS A 104 -12.713 6.138 -8.502 1.00 0.64 H new ATOM 0 HD2 LYS A 104 -10.560 5.049 -8.918 1.00 0.47 H new ATOM 0 HD3 LYS A 104 -11.358 3.568 -9.410 1.00 0.47 H new ATOM 0 HE2 LYS A 104 -11.652 6.246 -10.826 1.00 1.11 H new ATOM 0 HE3 LYS A 104 -10.571 4.963 -11.334 1.00 1.11 H new ATOM 0 HZ1 LYS A 104 -12.472 4.675 -12.616 1.00 1.89 H new ATOM 0 HZ2 LYS A 104 -12.655 3.513 -11.391 1.00 1.89 H new ATOM 0 HZ3 LYS A 104 -13.531 4.966 -11.322 1.00 1.89 H new ATOM 1585 N TYR A 105 -15.239 3.706 -4.621 1.00 0.28 N ATOM 1586 CA TYR A 105 -15.602 2.695 -3.632 1.00 0.25 C ATOM 1587 C TYR A 105 -15.846 1.331 -4.273 1.00 0.26 C ATOM 1588 O TYR A 105 -15.684 0.301 -3.623 1.00 0.25 O ATOM 1589 CB TYR A 105 -16.839 3.140 -2.854 1.00 0.26 C ATOM 1590 CG TYR A 105 -16.676 4.495 -2.208 1.00 0.29 C ATOM 1591 CD1 TYR A 105 -15.949 4.642 -1.034 1.00 0.29 C ATOM 1592 CD2 TYR A 105 -17.241 5.629 -2.777 1.00 0.34 C ATOM 1593 CE1 TYR A 105 -15.791 5.882 -0.444 1.00 0.34 C ATOM 1594 CE2 TYR A 105 -17.087 6.871 -2.193 1.00 0.39 C ATOM 1595 CZ TYR A 105 -16.361 6.992 -1.027 1.00 0.38 C ATOM 1596 OH TYR A 105 -16.205 8.228 -0.443 1.00 0.46 O ATOM 0 H TYR A 105 -15.826 4.540 -4.602 1.00 0.28 H new ATOM 0 HA TYR A 105 -14.761 2.590 -2.946 1.00 0.25 H new ATOM 0 HB2 TYR A 105 -17.695 3.166 -3.528 1.00 0.26 H new ATOM 0 HB3 TYR A 105 -17.062 2.401 -2.084 1.00 0.26 H new ATOM 0 HD1 TYR A 105 -15.500 3.774 -0.575 1.00 0.29 H new ATOM 0 HD2 TYR A 105 -17.810 5.538 -3.691 1.00 0.34 H new ATOM 0 HE1 TYR A 105 -15.223 5.980 0.470 1.00 0.34 H new ATOM 0 HE2 TYR A 105 -17.533 7.743 -2.647 1.00 0.39 H new ATOM 0 HH TYR A 105 -16.668 8.904 -0.980 1.00 0.46 H new ATOM 1606 N LYS A 106 -16.239 1.324 -5.543 1.00 0.31 N ATOM 1607 CA LYS A 106 -16.489 0.071 -6.245 1.00 0.35 C ATOM 1608 C LYS A 106 -15.212 -0.755 -6.333 1.00 0.31 C ATOM 1609 O LYS A 106 -15.222 -1.960 -6.077 1.00 0.31 O ATOM 1610 CB LYS A 106 -17.050 0.337 -7.640 1.00 0.44 C ATOM 1611 CG LYS A 106 -18.505 0.769 -7.624 1.00 0.56 C ATOM 1612 CD LYS A 106 -19.077 0.863 -9.027 1.00 0.78 C ATOM 1613 CE LYS A 106 -20.540 1.268 -8.998 1.00 0.94 C ATOM 1614 NZ LYS A 106 -21.118 1.365 -10.365 1.00 1.57 N ATOM 0 H LYS A 106 -16.390 2.164 -6.102 1.00 0.31 H new ATOM 0 HA LYS A 106 -17.229 -0.496 -5.680 1.00 0.35 H new ATOM 0 HB2 LYS A 106 -16.453 1.110 -8.124 1.00 0.44 H new ATOM 0 HB3 LYS A 106 -16.952 -0.566 -8.243 1.00 0.44 H new ATOM 0 HG2 LYS A 106 -19.089 0.058 -7.039 1.00 0.56 H new ATOM 0 HG3 LYS A 106 -18.592 1.737 -7.130 1.00 0.56 H new ATOM 0 HD2 LYS A 106 -18.507 1.589 -9.607 1.00 0.78 H new ATOM 0 HD3 LYS A 106 -18.973 -0.098 -9.530 1.00 0.78 H new ATOM 0 HE2 LYS A 106 -21.106 0.541 -8.416 1.00 0.94 H new ATOM 0 HE3 LYS A 106 -20.640 2.229 -8.493 1.00 0.94 H new ATOM 0 HZ1 LYS A 106 -22.118 1.644 -10.300 1.00 1.57 H new ATOM 0 HZ2 LYS A 106 -20.595 2.077 -10.913 1.00 1.57 H new ATOM 0 HZ3 LYS A 106 -21.046 0.442 -10.839 1.00 1.57 H new ATOM 1628 N ASP A 107 -14.113 -0.100 -6.691 1.00 0.30 N ATOM 1629 CA ASP A 107 -12.826 -0.775 -6.791 1.00 0.29 C ATOM 1630 C ASP A 107 -12.211 -0.932 -5.407 1.00 0.23 C ATOM 1631 O ASP A 107 -11.404 -1.831 -5.171 1.00 0.21 O ATOM 1632 CB ASP A 107 -11.876 0.007 -7.699 1.00 0.33 C ATOM 1633 CG ASP A 107 -12.294 -0.044 -9.154 1.00 0.46 C ATOM 1634 OD1 ASP A 107 -13.123 0.794 -9.564 1.00 0.64 O ATOM 1635 OD2 ASP A 107 -11.789 -0.923 -9.884 1.00 0.67 O ATOM 0 H ASP A 107 -14.088 0.895 -6.916 1.00 0.30 H new ATOM 0 HA ASP A 107 -12.986 -1.762 -7.226 1.00 0.29 H new ATOM 0 HB2 ASP A 107 -11.838 1.046 -7.371 1.00 0.33 H new ATOM 0 HB3 ASP A 107 -10.868 -0.396 -7.599 1.00 0.33 H new ATOM 1640 N ALA A 108 -12.606 -0.049 -4.495 1.00 0.22 N ATOM 1641 CA ALA A 108 -12.107 -0.084 -3.129 1.00 0.18 C ATOM 1642 C ALA A 108 -12.519 -1.377 -2.440 1.00 0.16 C ATOM 1643 O ALA A 108 -11.673 -2.138 -1.974 1.00 0.16 O ATOM 1644 CB ALA A 108 -12.614 1.122 -2.352 1.00 0.18 C ATOM 0 H ALA A 108 -13.272 0.701 -4.680 1.00 0.22 H new ATOM 0 HA ALA A 108 -11.018 -0.046 -3.157 1.00 0.18 H new ATOM 0 HB1 ALA A 108 -12.233 1.084 -1.331 1.00 0.18 H new ATOM 0 HB2 ALA A 108 -12.269 2.037 -2.834 1.00 0.18 H new ATOM 0 HB3 ALA A 108 -13.704 1.111 -2.333 1.00 0.18 H new ATOM 1650 N ILE A 109 -13.826 -1.619 -2.387 1.00 0.17 N ATOM 1651 CA ILE A 109 -14.365 -2.822 -1.761 1.00 0.18 C ATOM 1652 C ILE A 109 -13.779 -4.078 -2.394 1.00 0.19 C ATOM 1653 O ILE A 109 -13.607 -5.099 -1.728 1.00 0.20 O ATOM 1654 CB ILE A 109 -15.901 -2.869 -1.882 1.00 0.21 C ATOM 1655 CG1 ILE A 109 -16.513 -1.591 -1.308 1.00 0.22 C ATOM 1656 CG2 ILE A 109 -16.456 -4.098 -1.173 1.00 0.24 C ATOM 1657 CD1 ILE A 109 -17.942 -1.353 -1.746 1.00 0.51 C ATOM 0 H ILE A 109 -14.534 -0.994 -2.772 1.00 0.17 H new ATOM 0 HA ILE A 109 -14.088 -2.787 -0.707 1.00 0.18 H new ATOM 0 HB ILE A 109 -16.167 -2.938 -2.937 1.00 0.21 H new ATOM 0 HG12 ILE A 109 -16.479 -1.639 -0.220 1.00 0.22 H new ATOM 0 HG13 ILE A 109 -15.903 -0.739 -1.609 1.00 0.22 H new ATOM 0 HG21 ILE A 109 -17.542 -4.114 -1.269 1.00 0.24 H new ATOM 0 HG22 ILE A 109 -16.038 -4.998 -1.624 1.00 0.24 H new ATOM 0 HG23 ILE A 109 -16.186 -4.062 -0.118 1.00 0.24 H new ATOM 0 HD11 ILE A 109 -18.310 -0.429 -1.300 1.00 0.51 H new ATOM 0 HD12 ILE A 109 -17.981 -1.272 -2.832 1.00 0.51 H new ATOM 0 HD13 ILE A 109 -18.566 -2.186 -1.421 1.00 0.51 H new ATOM 1669 N HIS A 110 -13.478 -3.995 -3.685 1.00 0.20 N ATOM 1670 CA HIS A 110 -12.910 -5.122 -4.412 1.00 0.23 C ATOM 1671 C HIS A 110 -11.578 -5.544 -3.800 1.00 0.20 C ATOM 1672 O HIS A 110 -11.417 -6.685 -3.367 1.00 0.23 O ATOM 1673 CB HIS A 110 -12.719 -4.757 -5.885 1.00 0.27 C ATOM 1674 CG HIS A 110 -12.140 -5.864 -6.710 1.00 0.32 C ATOM 1675 ND1 HIS A 110 -12.907 -6.857 -7.282 1.00 0.40 N ATOM 1676 CD2 HIS A 110 -10.861 -6.129 -7.065 1.00 0.34 C ATOM 1677 CE1 HIS A 110 -12.124 -7.686 -7.950 1.00 0.44 C ATOM 1678 NE2 HIS A 110 -10.878 -7.266 -7.834 1.00 0.40 N ATOM 0 H HIS A 110 -13.618 -3.157 -4.250 1.00 0.20 H new ATOM 0 HA HIS A 110 -13.603 -5.960 -4.341 1.00 0.23 H new ATOM 0 HB2 HIS A 110 -13.682 -4.468 -6.306 1.00 0.27 H new ATOM 0 HB3 HIS A 110 -12.067 -3.886 -5.953 1.00 0.27 H new ATOM 0 HD2 HIS A 110 -9.989 -5.553 -6.794 1.00 0.34 H new ATOM 0 HE1 HIS A 110 -12.448 -8.559 -8.498 1.00 0.44 H new ATOM 0 HE2 HIS A 110 -10.061 -7.714 -8.248 1.00 0.40 H new ATOM 1687 N PHE A 111 -10.627 -4.615 -3.766 1.00 0.18 N ATOM 1688 CA PHE A 111 -9.311 -4.894 -3.206 1.00 0.17 C ATOM 1689 C PHE A 111 -9.381 -5.032 -1.691 1.00 0.16 C ATOM 1690 O PHE A 111 -8.523 -5.668 -1.080 1.00 0.20 O ATOM 1691 CB PHE A 111 -8.316 -3.807 -3.606 1.00 0.17 C ATOM 1692 CG PHE A 111 -7.955 -3.856 -5.063 1.00 0.21 C ATOM 1693 CD1 PHE A 111 -6.992 -4.739 -5.521 1.00 0.22 C ATOM 1694 CD2 PHE A 111 -8.586 -3.027 -5.976 1.00 0.26 C ATOM 1695 CE1 PHE A 111 -6.662 -4.793 -6.862 1.00 0.27 C ATOM 1696 CE2 PHE A 111 -8.262 -3.077 -7.318 1.00 0.31 C ATOM 1697 CZ PHE A 111 -7.299 -3.960 -7.762 1.00 0.32 C ATOM 0 H PHE A 111 -10.744 -3.665 -4.119 1.00 0.18 H new ATOM 0 HA PHE A 111 -8.963 -5.843 -3.613 1.00 0.17 H new ATOM 0 HB2 PHE A 111 -8.740 -2.830 -3.374 1.00 0.17 H new ATOM 0 HB3 PHE A 111 -7.411 -3.912 -3.008 1.00 0.17 H new ATOM 0 HD1 PHE A 111 -6.493 -5.393 -4.822 1.00 0.22 H new ATOM 0 HD2 PHE A 111 -9.340 -2.333 -5.635 1.00 0.26 H new ATOM 0 HE1 PHE A 111 -5.908 -5.485 -7.206 1.00 0.27 H new ATOM 0 HE2 PHE A 111 -8.762 -2.425 -8.019 1.00 0.31 H new ATOM 0 HZ PHE A 111 -7.044 -4.000 -8.811 1.00 0.32 H new ATOM 1707 N TYR A 112 -10.401 -4.431 -1.086 1.00 0.15 N ATOM 1708 CA TYR A 112 -10.580 -4.529 0.356 1.00 0.17 C ATOM 1709 C TYR A 112 -10.841 -5.979 0.729 1.00 0.20 C ATOM 1710 O TYR A 112 -10.182 -6.538 1.603 1.00 0.22 O ATOM 1711 CB TYR A 112 -11.753 -3.660 0.830 1.00 0.17 C ATOM 1712 CG TYR A 112 -11.415 -2.200 1.070 1.00 0.19 C ATOM 1713 CD1 TYR A 112 -10.156 -1.809 1.516 1.00 0.21 C ATOM 1714 CD2 TYR A 112 -12.371 -1.212 0.864 1.00 0.20 C ATOM 1715 CE1 TYR A 112 -9.861 -0.478 1.742 1.00 0.25 C ATOM 1716 CE2 TYR A 112 -12.083 0.121 1.090 1.00 0.23 C ATOM 1717 CZ TYR A 112 -10.827 0.482 1.530 1.00 0.25 C ATOM 1718 OH TYR A 112 -10.537 1.808 1.757 1.00 0.32 O ATOM 0 H TYR A 112 -11.109 -3.877 -1.567 1.00 0.15 H new ATOM 0 HA TYR A 112 -9.673 -4.171 0.842 1.00 0.17 H new ATOM 0 HB2 TYR A 112 -12.550 -3.716 0.088 1.00 0.17 H new ATOM 0 HB3 TYR A 112 -12.148 -4.082 1.754 1.00 0.17 H new ATOM 0 HD1 TYR A 112 -9.397 -2.558 1.688 1.00 0.21 H new ATOM 0 HD2 TYR A 112 -13.356 -1.491 0.521 1.00 0.20 H new ATOM 0 HE1 TYR A 112 -8.877 -0.191 2.083 1.00 0.25 H new ATOM 0 HE2 TYR A 112 -12.837 0.875 0.923 1.00 0.23 H new ATOM 0 HH TYR A 112 -9.721 1.877 2.295 1.00 0.32 H new ATOM 1728 N ASN A 113 -11.802 -6.582 0.038 1.00 0.22 N ATOM 1729 CA ASN A 113 -12.164 -7.971 0.274 1.00 0.28 C ATOM 1730 C ASN A 113 -10.971 -8.879 0.004 1.00 0.27 C ATOM 1731 O ASN A 113 -10.832 -9.937 0.620 1.00 0.31 O ATOM 1732 CB ASN A 113 -13.345 -8.367 -0.614 1.00 0.34 C ATOM 1733 CG ASN A 113 -14.018 -9.640 -0.146 1.00 1.02 C ATOM 1734 OD1 ASN A 113 -13.697 -10.732 -0.611 1.00 1.77 O ATOM 1735 ND2 ASN A 113 -14.957 -9.504 0.782 1.00 1.23 N ATOM 0 H ASN A 113 -12.346 -6.126 -0.694 1.00 0.22 H new ATOM 0 HA ASN A 113 -12.459 -8.084 1.317 1.00 0.28 H new ATOM 0 HB2 ASN A 113 -14.074 -7.557 -0.626 1.00 0.34 H new ATOM 0 HB3 ASN A 113 -12.997 -8.499 -1.639 1.00 0.34 H new ATOM 0 HD21 ASN A 113 -15.445 -10.326 1.138 1.00 1.23 H new ATOM 0 HD22 ASN A 113 -15.191 -8.578 1.139 1.00 1.23 H new ATOM 1742 N LYS A 114 -10.111 -8.459 -0.922 1.00 0.25 N ATOM 1743 CA LYS A 114 -8.921 -9.228 -1.256 1.00 0.24 C ATOM 1744 C LYS A 114 -7.959 -9.231 -0.078 1.00 0.21 C ATOM 1745 O LYS A 114 -7.195 -10.177 0.112 1.00 0.23 O ATOM 1746 CB LYS A 114 -8.236 -8.660 -2.499 1.00 0.26 C ATOM 1747 CG LYS A 114 -9.034 -8.865 -3.775 1.00 0.34 C ATOM 1748 CD LYS A 114 -8.125 -9.005 -4.984 1.00 0.37 C ATOM 1749 CE LYS A 114 -8.920 -9.331 -6.238 1.00 0.48 C ATOM 1750 NZ LYS A 114 -8.034 -9.663 -7.387 1.00 1.25 N ATOM 0 H LYS A 114 -10.218 -7.593 -1.451 1.00 0.25 H new ATOM 0 HA LYS A 114 -9.221 -10.253 -1.474 1.00 0.24 H new ATOM 0 HB2 LYS A 114 -8.064 -7.593 -2.354 1.00 0.26 H new ATOM 0 HB3 LYS A 114 -7.258 -9.128 -2.612 1.00 0.26 H new ATOM 0 HG2 LYS A 114 -9.653 -9.757 -3.679 1.00 0.34 H new ATOM 0 HG3 LYS A 114 -9.710 -8.022 -3.922 1.00 0.34 H new ATOM 0 HD2 LYS A 114 -7.570 -8.079 -5.133 1.00 0.37 H new ATOM 0 HD3 LYS A 114 -7.392 -9.790 -4.801 1.00 0.37 H new ATOM 0 HE2 LYS A 114 -9.585 -10.171 -6.038 1.00 0.48 H new ATOM 0 HE3 LYS A 114 -9.550 -8.481 -6.499 1.00 0.48 H new ATOM 0 HZ1 LYS A 114 -8.615 -9.879 -8.222 1.00 1.25 H new ATOM 0 HZ2 LYS A 114 -7.417 -8.852 -7.595 1.00 1.25 H new ATOM 0 HZ3 LYS A 114 -7.451 -10.490 -7.148 1.00 1.25 H new ATOM 1764 N SER A 115 -8.001 -8.160 0.709 1.00 0.20 N ATOM 1765 CA SER A 115 -7.154 -8.052 1.885 1.00 0.21 C ATOM 1766 C SER A 115 -7.640 -9.025 2.949 1.00 0.25 C ATOM 1767 O SER A 115 -6.853 -9.554 3.732 1.00 0.28 O ATOM 1768 CB SER A 115 -7.169 -6.624 2.432 1.00 0.23 C ATOM 1769 OG SER A 115 -6.369 -6.516 3.595 1.00 1.04 O ATOM 0 H SER A 115 -8.612 -7.358 0.552 1.00 0.20 H new ATOM 0 HA SER A 115 -6.130 -8.299 1.607 1.00 0.21 H new ATOM 0 HB2 SER A 115 -6.804 -5.935 1.670 1.00 0.23 H new ATOM 0 HB3 SER A 115 -8.193 -6.330 2.662 1.00 0.23 H new ATOM 0 HG SER A 115 -5.703 -5.808 3.469 1.00 1.04 H new ATOM 1775 N LEU A 116 -8.952 -9.254 2.965 1.00 0.26 N ATOM 1776 CA LEU A 116 -9.554 -10.182 3.914 1.00 0.31 C ATOM 1777 C LEU A 116 -9.223 -11.614 3.512 1.00 0.33 C ATOM 1778 O LEU A 116 -9.206 -12.520 4.345 1.00 0.38 O ATOM 1779 CB LEU A 116 -11.079 -10.001 3.967 1.00 0.34 C ATOM 1780 CG LEU A 116 -11.590 -8.826 4.813 1.00 0.36 C ATOM 1781 CD1 LEU A 116 -11.102 -8.936 6.249 1.00 0.38 C ATOM 1782 CD2 LEU A 116 -11.167 -7.499 4.207 1.00 0.35 C ATOM 0 H LEU A 116 -9.616 -8.809 2.331 1.00 0.26 H new ATOM 0 HA LEU A 116 -9.147 -9.974 4.903 1.00 0.31 H new ATOM 0 HB2 LEU A 116 -11.445 -9.875 2.948 1.00 0.34 H new ATOM 0 HB3 LEU A 116 -11.520 -10.920 4.353 1.00 0.34 H new ATOM 0 HG LEU A 116 -12.679 -8.868 4.820 1.00 0.36 H new ATOM 0 HD11 LEU A 116 -11.478 -8.092 6.827 1.00 0.38 H new ATOM 0 HD12 LEU A 116 -11.466 -9.866 6.687 1.00 0.38 H new ATOM 0 HD13 LEU A 116 -10.012 -8.930 6.264 1.00 0.38 H new ATOM 0 HD21 LEU A 116 -11.541 -6.682 4.824 1.00 0.35 H new ATOM 0 HD22 LEU A 116 -10.079 -7.451 4.161 1.00 0.35 H new ATOM 0 HD23 LEU A 116 -11.577 -7.411 3.201 1.00 0.35 H new ATOM 1794 N ALA A 117 -8.960 -11.803 2.222 1.00 0.31 N ATOM 1795 CA ALA A 117 -8.624 -13.115 1.688 1.00 0.33 C ATOM 1796 C ALA A 117 -7.211 -13.524 2.091 1.00 0.33 C ATOM 1797 O ALA A 117 -6.940 -14.700 2.335 1.00 0.41 O ATOM 1798 CB ALA A 117 -8.762 -13.116 0.172 1.00 0.32 C ATOM 0 H ALA A 117 -8.974 -11.058 1.525 1.00 0.31 H new ATOM 0 HA ALA A 117 -9.319 -13.842 2.107 1.00 0.33 H new ATOM 0 HB1 ALA A 117 -8.508 -14.103 -0.216 1.00 0.32 H new ATOM 0 HB2 ALA A 117 -9.789 -12.872 -0.100 1.00 0.32 H new ATOM 0 HB3 ALA A 117 -8.088 -12.374 -0.255 1.00 0.32 H new ATOM 1804 N GLU A 118 -6.313 -12.545 2.154 1.00 0.29 N ATOM 1805 CA GLU A 118 -4.927 -12.800 2.531 1.00 0.30 C ATOM 1806 C GLU A 118 -4.761 -12.753 4.045 1.00 0.32 C ATOM 1807 O GLU A 118 -4.369 -13.740 4.668 1.00 0.36 O ATOM 1808 CB GLU A 118 -3.999 -11.776 1.874 1.00 0.27 C ATOM 1809 CG GLU A 118 -4.044 -11.797 0.354 1.00 0.30 C ATOM 1810 CD GLU A 118 -3.676 -13.149 -0.224 1.00 0.41 C ATOM 1811 OE1 GLU A 118 -2.482 -13.511 -0.175 1.00 0.53 O ATOM 1812 OE2 GLU A 118 -4.583 -13.847 -0.724 1.00 0.53 O ATOM 0 H GLU A 118 -6.521 -11.568 1.949 1.00 0.29 H new ATOM 0 HA GLU A 118 -4.659 -13.797 2.182 1.00 0.30 H new ATOM 0 HB2 GLU A 118 -4.268 -10.779 2.223 1.00 0.27 H new ATOM 0 HB3 GLU A 118 -2.976 -11.963 2.201 1.00 0.27 H new ATOM 0 HG2 GLU A 118 -5.045 -11.524 0.021 1.00 0.30 H new ATOM 0 HG3 GLU A 118 -3.362 -11.042 -0.036 1.00 0.30 H new ATOM 1819 N HIS A 119 -5.063 -11.599 4.630 1.00 0.32 N ATOM 1820 CA HIS A 119 -4.951 -11.414 6.073 1.00 0.36 C ATOM 1821 C HIS A 119 -6.143 -10.627 6.610 1.00 0.37 C ATOM 1822 O HIS A 119 -6.193 -9.401 6.500 1.00 0.36 O ATOM 1823 CB HIS A 119 -3.640 -10.697 6.409 1.00 0.35 C ATOM 1824 CG HIS A 119 -3.481 -10.341 7.856 1.00 0.40 C ATOM 1825 ND1 HIS A 119 -2.800 -9.218 8.279 1.00 0.42 N ATOM 1826 CD2 HIS A 119 -3.902 -10.969 8.981 1.00 0.45 C ATOM 1827 CE1 HIS A 119 -2.806 -9.173 9.599 1.00 0.48 C ATOM 1828 NE2 HIS A 119 -3.469 -10.222 10.048 1.00 0.50 N ATOM 0 H HIS A 119 -5.388 -10.775 4.125 1.00 0.32 H new ATOM 0 HA HIS A 119 -4.949 -12.394 6.550 1.00 0.36 H new ATOM 0 HB2 HIS A 119 -2.806 -11.332 6.110 1.00 0.35 H new ATOM 0 HB3 HIS A 119 -3.576 -9.786 5.814 1.00 0.35 H new ATOM 0 HD2 HIS A 119 -4.471 -11.885 9.029 1.00 0.45 H new ATOM 0 HE1 HIS A 119 -2.347 -8.408 10.207 1.00 0.48 H new ATOM 0 HE2 HIS A 119 -3.633 -10.442 11.030 1.00 0.50 H new ATOM 1837 N ARG A 120 -7.101 -11.345 7.188 1.00 0.41 N ATOM 1838 CA ARG A 120 -8.298 -10.725 7.745 1.00 0.43 C ATOM 1839 C ARG A 120 -7.937 -9.726 8.839 1.00 0.46 C ATOM 1840 O ARG A 120 -7.261 -10.069 9.809 1.00 0.53 O ATOM 1841 CB ARG A 120 -9.236 -11.794 8.309 1.00 0.49 C ATOM 1842 CG ARG A 120 -10.499 -11.226 8.938 1.00 0.55 C ATOM 1843 CD ARG A 120 -11.328 -12.314 9.599 1.00 0.62 C ATOM 1844 NE ARG A 120 -11.747 -13.336 8.645 1.00 1.38 N ATOM 1845 CZ ARG A 120 -12.549 -14.349 8.954 1.00 1.78 C ATOM 1846 NH1 ARG A 120 -13.021 -14.476 10.187 1.00 1.57 N ATOM 1847 NH2 ARG A 120 -12.883 -15.236 8.029 1.00 2.87 N ATOM 0 H ARG A 120 -7.071 -12.360 7.283 1.00 0.41 H new ATOM 0 HA ARG A 120 -8.805 -10.190 6.942 1.00 0.43 H new ATOM 0 HB2 ARG A 120 -9.515 -12.479 7.509 1.00 0.49 H new ATOM 0 HB3 ARG A 120 -8.699 -12.379 9.056 1.00 0.49 H new ATOM 0 HG2 ARG A 120 -10.231 -10.471 9.677 1.00 0.55 H new ATOM 0 HG3 ARG A 120 -11.095 -10.727 8.174 1.00 0.55 H new ATOM 0 HD2 ARG A 120 -10.748 -12.778 10.396 1.00 0.62 H new ATOM 0 HD3 ARG A 120 -12.208 -11.868 10.063 1.00 0.62 H new ATOM 0 HE ARG A 120 -11.405 -13.269 7.687 1.00 1.38 H new ATOM 0 HH11 ARG A 120 -12.769 -13.794 10.902 1.00 1.57 H new ATOM 0 HH12 ARG A 120 -13.636 -15.255 10.420 1.00 1.57 H new ATOM 0 HH21 ARG A 120 -12.524 -15.142 7.079 1.00 2.87 H new ATOM 0 HH22 ARG A 120 -13.499 -16.014 8.267 1.00 2.87 H new ATOM 1861 N THR A 121 -8.396 -8.490 8.675 1.00 0.45 N ATOM 1862 CA THR A 121 -8.128 -7.438 9.647 1.00 0.50 C ATOM 1863 C THR A 121 -9.362 -6.560 9.861 1.00 0.49 C ATOM 1864 O THR A 121 -10.115 -6.300 8.922 1.00 0.47 O ATOM 1865 CB THR A 121 -6.949 -6.552 9.206 1.00 0.53 C ATOM 1866 OG1 THR A 121 -7.141 -6.116 7.856 1.00 0.52 O ATOM 1867 CG2 THR A 121 -5.634 -7.306 9.319 1.00 0.62 C ATOM 0 H THR A 121 -8.956 -8.192 7.876 1.00 0.45 H new ATOM 0 HA THR A 121 -7.869 -7.931 10.584 1.00 0.50 H new ATOM 0 HB THR A 121 -6.909 -5.684 9.865 1.00 0.53 H new ATOM 0 HG1 THR A 121 -6.282 -5.835 7.478 1.00 0.52 H new ATOM 0 HG21 THR A 121 -4.816 -6.660 9.002 1.00 0.62 H new ATOM 0 HG22 THR A 121 -5.477 -7.610 10.354 1.00 0.62 H new ATOM 0 HG23 THR A 121 -5.666 -8.190 8.682 1.00 0.62 H new ATOM 1875 N PRO A 122 -9.587 -6.090 11.106 1.00 0.56 N ATOM 1876 CA PRO A 122 -10.740 -5.244 11.438 1.00 0.56 C ATOM 1877 C PRO A 122 -10.733 -3.922 10.679 1.00 0.51 C ATOM 1878 O PRO A 122 -11.789 -3.351 10.407 1.00 0.50 O ATOM 1879 CB PRO A 122 -10.593 -4.989 12.942 1.00 0.65 C ATOM 1880 CG PRO A 122 -9.666 -6.049 13.430 1.00 0.76 C ATOM 1881 CD PRO A 122 -8.743 -6.345 12.286 1.00 0.69 C ATOM 0 HA PRO A 122 -11.678 -5.728 11.166 1.00 0.56 H new ATOM 0 HB2 PRO A 122 -10.190 -3.995 13.135 1.00 0.65 H new ATOM 0 HB3 PRO A 122 -11.557 -5.046 13.447 1.00 0.65 H new ATOM 0 HG2 PRO A 122 -9.109 -5.709 14.303 1.00 0.76 H new ATOM 0 HG3 PRO A 122 -10.216 -6.941 13.730 1.00 0.76 H new ATOM 0 HD2 PRO A 122 -7.863 -5.701 12.300 1.00 0.69 H new ATOM 0 HD3 PRO A 122 -8.385 -7.374 12.312 1.00 0.69 H new ATOM 1889 N ASP A 123 -9.540 -3.437 10.344 1.00 0.50 N ATOM 1890 CA ASP A 123 -9.403 -2.179 9.616 1.00 0.48 C ATOM 1891 C ASP A 123 -10.046 -2.271 8.240 1.00 0.40 C ATOM 1892 O ASP A 123 -10.946 -1.497 7.914 1.00 0.40 O ATOM 1893 CB ASP A 123 -7.929 -1.799 9.468 1.00 0.55 C ATOM 1894 CG ASP A 123 -7.308 -1.360 10.777 1.00 1.42 C ATOM 1895 OD1 ASP A 123 -8.021 -0.746 11.596 1.00 2.20 O ATOM 1896 OD2 ASP A 123 -6.106 -1.627 10.980 1.00 2.06 O ATOM 0 H ASP A 123 -8.656 -3.895 10.565 1.00 0.50 H new ATOM 0 HA ASP A 123 -9.915 -1.408 10.191 1.00 0.48 H new ATOM 0 HB2 ASP A 123 -7.375 -2.652 9.075 1.00 0.55 H new ATOM 0 HB3 ASP A 123 -7.836 -0.995 8.738 1.00 0.55 H new ATOM 1901 N VAL A 124 -9.578 -3.219 7.436 1.00 0.35 N ATOM 1902 CA VAL A 124 -10.107 -3.404 6.093 1.00 0.29 C ATOM 1903 C VAL A 124 -11.570 -3.819 6.136 1.00 0.28 C ATOM 1904 O VAL A 124 -12.362 -3.409 5.290 1.00 0.28 O ATOM 1905 CB VAL A 124 -9.309 -4.454 5.304 1.00 0.28 C ATOM 1906 CG1 VAL A 124 -9.702 -4.419 3.835 1.00 0.32 C ATOM 1907 CG2 VAL A 124 -7.816 -4.224 5.471 1.00 0.31 C ATOM 0 H VAL A 124 -8.835 -3.869 7.692 1.00 0.35 H new ATOM 0 HA VAL A 124 -10.016 -2.444 5.586 1.00 0.29 H new ATOM 0 HB VAL A 124 -9.545 -5.442 5.699 1.00 0.28 H new ATOM 0 HG11 VAL A 124 -9.129 -5.168 3.287 1.00 0.32 H new ATOM 0 HG12 VAL A 124 -10.766 -4.634 3.738 1.00 0.32 H new ATOM 0 HG13 VAL A 124 -9.492 -3.431 3.426 1.00 0.32 H new ATOM 0 HG21 VAL A 124 -7.266 -4.977 4.906 1.00 0.31 H new ATOM 0 HG22 VAL A 124 -7.557 -3.232 5.101 1.00 0.31 H new ATOM 0 HG23 VAL A 124 -7.552 -4.298 6.526 1.00 0.31 H new ATOM 1917 N LEU A 125 -11.922 -4.641 7.120 1.00 0.35 N ATOM 1918 CA LEU A 125 -13.299 -5.090 7.275 1.00 0.38 C ATOM 1919 C LEU A 125 -14.190 -3.897 7.591 1.00 0.38 C ATOM 1920 O LEU A 125 -15.367 -3.866 7.231 1.00 0.38 O ATOM 1921 CB LEU A 125 -13.399 -6.144 8.383 1.00 0.45 C ATOM 1922 CG LEU A 125 -14.788 -6.760 8.579 1.00 0.51 C ATOM 1923 CD1 LEU A 125 -14.669 -8.212 9.016 1.00 0.61 C ATOM 1924 CD2 LEU A 125 -15.587 -5.965 9.601 1.00 0.54 C ATOM 0 H LEU A 125 -11.275 -5.008 7.818 1.00 0.35 H new ATOM 0 HA LEU A 125 -13.632 -5.547 6.343 1.00 0.38 H new ATOM 0 HB2 LEU A 125 -12.692 -6.945 8.165 1.00 0.45 H new ATOM 0 HB3 LEU A 125 -13.085 -5.690 9.323 1.00 0.45 H new ATOM 0 HG LEU A 125 -15.315 -6.726 7.626 1.00 0.51 H new ATOM 0 HD11 LEU A 125 -15.665 -8.634 9.151 1.00 0.61 H new ATOM 0 HD12 LEU A 125 -14.135 -8.779 8.254 1.00 0.61 H new ATOM 0 HD13 LEU A 125 -14.122 -8.265 9.957 1.00 0.61 H new ATOM 0 HD21 LEU A 125 -16.570 -6.418 9.726 1.00 0.54 H new ATOM 0 HD22 LEU A 125 -15.062 -5.968 10.556 1.00 0.54 H new ATOM 0 HD23 LEU A 125 -15.702 -4.938 9.254 1.00 0.54 H new ATOM 1936 N LYS A 126 -13.605 -2.913 8.268 1.00 0.40 N ATOM 1937 CA LYS A 126 -14.317 -1.697 8.636 1.00 0.42 C ATOM 1938 C LYS A 126 -14.445 -0.779 7.427 1.00 0.39 C ATOM 1939 O LYS A 126 -15.479 -0.144 7.220 1.00 0.43 O ATOM 1940 CB LYS A 126 -13.574 -0.977 9.762 1.00 0.48 C ATOM 1941 CG LYS A 126 -14.250 0.299 10.231 1.00 0.58 C ATOM 1942 CD LYS A 126 -13.410 1.014 11.276 1.00 0.72 C ATOM 1943 CE LYS A 126 -14.109 2.256 11.800 1.00 1.37 C ATOM 1944 NZ LYS A 126 -13.270 2.988 12.787 1.00 2.04 N ATOM 0 H LYS A 126 -12.632 -2.937 8.574 1.00 0.40 H new ATOM 0 HA LYS A 126 -15.315 -1.964 8.983 1.00 0.42 H new ATOM 0 HB2 LYS A 126 -13.474 -1.655 10.609 1.00 0.48 H new ATOM 0 HB3 LYS A 126 -12.566 -0.739 9.424 1.00 0.48 H new ATOM 0 HG2 LYS A 126 -14.416 0.960 9.380 1.00 0.58 H new ATOM 0 HG3 LYS A 126 -15.229 0.063 10.647 1.00 0.58 H new ATOM 0 HD2 LYS A 126 -13.203 0.336 12.104 1.00 0.72 H new ATOM 0 HD3 LYS A 126 -12.449 1.292 10.843 1.00 0.72 H new ATOM 0 HE2 LYS A 126 -14.349 2.916 10.967 1.00 1.37 H new ATOM 0 HE3 LYS A 126 -15.053 1.973 12.265 1.00 1.37 H new ATOM 0 HZ1 LYS A 126 -13.782 3.829 13.121 1.00 2.04 H new ATOM 0 HZ2 LYS A 126 -13.061 2.366 13.594 1.00 2.04 H new ATOM 0 HZ3 LYS A 126 -12.380 3.281 12.336 1.00 2.04 H new ATOM 1958 N LYS A 127 -13.381 -0.720 6.632 1.00 0.33 N ATOM 1959 CA LYS A 127 -13.359 0.109 5.434 1.00 0.31 C ATOM 1960 C LYS A 127 -14.167 -0.542 4.318 1.00 0.27 C ATOM 1961 O LYS A 127 -14.608 0.129 3.386 1.00 0.27 O ATOM 1962 CB LYS A 127 -11.919 0.341 4.972 1.00 0.31 C ATOM 1963 CG LYS A 127 -11.326 1.660 5.444 1.00 0.52 C ATOM 1964 CD LYS A 127 -11.255 1.741 6.960 1.00 0.55 C ATOM 1965 CE LYS A 127 -10.763 3.104 7.416 1.00 0.82 C ATOM 1966 NZ LYS A 127 -9.421 3.427 6.856 1.00 1.48 N ATOM 0 H LYS A 127 -12.519 -1.240 6.798 1.00 0.33 H new ATOM 0 HA LYS A 127 -13.810 1.071 5.676 1.00 0.31 H new ATOM 0 HB2 LYS A 127 -11.295 -0.477 5.334 1.00 0.31 H new ATOM 0 HB3 LYS A 127 -11.887 0.309 3.883 1.00 0.31 H new ATOM 0 HG2 LYS A 127 -10.326 1.778 5.027 1.00 0.52 H new ATOM 0 HG3 LYS A 127 -11.929 2.485 5.064 1.00 0.52 H new ATOM 0 HD2 LYS A 127 -12.240 1.547 7.383 1.00 0.55 H new ATOM 0 HD3 LYS A 127 -10.588 0.966 7.337 1.00 0.55 H new ATOM 0 HE2 LYS A 127 -11.477 3.869 7.110 1.00 0.82 H new ATOM 0 HE3 LYS A 127 -10.717 3.128 8.505 1.00 0.82 H new ATOM 0 HZ1 LYS A 127 -9.040 4.270 7.331 1.00 1.48 H new ATOM 0 HZ2 LYS A 127 -8.779 2.623 7.009 1.00 1.48 H new ATOM 0 HZ3 LYS A 127 -9.506 3.613 5.836 1.00 1.48 H new ATOM 1980 N CYS A 128 -14.356 -1.854 4.422 1.00 0.27 N ATOM 1981 CA CYS A 128 -15.118 -2.598 3.427 1.00 0.26 C ATOM 1982 C CYS A 128 -16.598 -2.271 3.558 1.00 0.29 C ATOM 1983 O CYS A 128 -17.283 -2.021 2.565 1.00 0.32 O ATOM 1984 CB CYS A 128 -14.895 -4.102 3.594 1.00 0.26 C ATOM 1985 SG CYS A 128 -15.724 -5.112 2.345 1.00 0.91 S ATOM 0 H CYS A 128 -13.991 -2.423 5.186 1.00 0.27 H new ATOM 0 HA CYS A 128 -14.774 -2.307 2.435 1.00 0.26 H new ATOM 0 HB2 CYS A 128 -13.825 -4.306 3.560 1.00 0.26 H new ATOM 0 HB3 CYS A 128 -15.245 -4.403 4.581 1.00 0.26 H new ATOM 0 HG CYS A 128 -15.475 -6.368 2.568 1.00 0.91 H new ATOM 1991 N GLN A 129 -17.083 -2.278 4.795 1.00 0.32 N ATOM 1992 CA GLN A 129 -18.478 -1.964 5.074 1.00 0.36 C ATOM 1993 C GLN A 129 -18.702 -0.462 4.952 1.00 0.32 C ATOM 1994 O GLN A 129 -19.805 -0.007 4.648 1.00 0.35 O ATOM 1995 CB GLN A 129 -18.862 -2.437 6.480 1.00 0.44 C ATOM 1996 CG GLN A 129 -18.705 -3.934 6.689 1.00 0.50 C ATOM 1997 CD GLN A 129 -19.022 -4.357 8.109 1.00 0.60 C ATOM 1998 OE1 GLN A 129 -18.144 -4.399 8.969 1.00 1.38 O ATOM 1999 NE2 GLN A 129 -20.286 -4.672 8.364 1.00 1.10 N ATOM 0 H GLN A 129 -16.528 -2.498 5.622 1.00 0.32 H new ATOM 0 HA GLN A 129 -19.106 -2.482 4.349 1.00 0.36 H new ATOM 0 HB2 GLN A 129 -18.247 -1.911 7.210 1.00 0.44 H new ATOM 0 HB3 GLN A 129 -19.898 -2.159 6.676 1.00 0.44 H new ATOM 0 HG2 GLN A 129 -19.362 -4.465 6.000 1.00 0.50 H new ATOM 0 HG3 GLN A 129 -17.684 -4.227 6.445 1.00 0.50 H new ATOM 0 HE21 GLN A 129 -20.983 -4.624 7.621 1.00 1.10 H new ATOM 0 HE22 GLN A 129 -20.560 -4.962 9.303 1.00 1.10 H new ATOM 2008 N GLN A 130 -17.636 0.297 5.186 1.00 0.31 N ATOM 2009 CA GLN A 130 -17.684 1.752 5.110 1.00 0.30 C ATOM 2010 C GLN A 130 -17.769 2.217 3.661 1.00 0.26 C ATOM 2011 O GLN A 130 -18.504 3.147 3.338 1.00 0.27 O ATOM 2012 CB GLN A 130 -16.439 2.350 5.773 1.00 0.34 C ATOM 2013 CG GLN A 130 -16.418 3.870 5.788 1.00 0.41 C ATOM 2014 CD GLN A 130 -17.254 4.455 6.909 1.00 0.94 C ATOM 2015 OE1 GLN A 130 -18.232 3.855 7.350 1.00 1.72 O ATOM 2016 NE2 GLN A 130 -16.870 5.636 7.378 1.00 1.65 N ATOM 0 H GLN A 130 -16.720 -0.077 5.432 1.00 0.31 H new ATOM 0 HA GLN A 130 -18.576 2.094 5.636 1.00 0.30 H new ATOM 0 HB2 GLN A 130 -16.375 1.986 6.798 1.00 0.34 H new ATOM 0 HB3 GLN A 130 -15.553 1.989 5.251 1.00 0.34 H new ATOM 0 HG2 GLN A 130 -15.389 4.214 5.890 1.00 0.41 H new ATOM 0 HG3 GLN A 130 -16.786 4.244 4.833 1.00 0.41 H new ATOM 0 HE21 GLN A 130 -16.052 6.100 6.983 1.00 1.65 H new ATOM 0 HE22 GLN A 130 -17.393 6.079 8.133 1.00 1.65 H new ATOM 2025 N ALA A 131 -17.016 1.556 2.792 1.00 0.23 N ATOM 2026 CA ALA A 131 -16.988 1.907 1.379 1.00 0.21 C ATOM 2027 C ALA A 131 -18.314 1.597 0.690 1.00 0.23 C ATOM 2028 O ALA A 131 -18.765 2.358 -0.166 1.00 0.29 O ATOM 2029 CB ALA A 131 -15.848 1.180 0.684 1.00 0.20 C ATOM 0 H ALA A 131 -16.415 0.771 3.042 1.00 0.23 H new ATOM 0 HA ALA A 131 -16.827 2.983 1.307 1.00 0.21 H new ATOM 0 HB1 ALA A 131 -15.835 1.449 -0.372 1.00 0.20 H new ATOM 0 HB2 ALA A 131 -14.901 1.465 1.143 1.00 0.20 H new ATOM 0 HB3 ALA A 131 -15.989 0.104 0.783 1.00 0.20 H new ATOM 2035 N GLU A 132 -18.941 0.482 1.063 1.00 0.26 N ATOM 2036 CA GLU A 132 -20.209 0.092 0.455 1.00 0.35 C ATOM 2037 C GLU A 132 -21.366 0.925 0.995 1.00 0.35 C ATOM 2038 O GLU A 132 -22.256 1.317 0.240 1.00 0.43 O ATOM 2039 CB GLU A 132 -20.488 -1.400 0.664 1.00 0.48 C ATOM 2040 CG GLU A 132 -20.650 -1.809 2.118 1.00 1.02 C ATOM 2041 CD GLU A 132 -21.274 -3.183 2.260 1.00 1.24 C ATOM 2042 OE1 GLU A 132 -20.728 -4.145 1.682 1.00 2.04 O ATOM 2043 OE2 GLU A 132 -22.309 -3.297 2.948 1.00 1.41 O ATOM 0 H GLU A 132 -18.595 -0.160 1.776 1.00 0.26 H new ATOM 0 HA GLU A 132 -20.124 0.281 -0.615 1.00 0.35 H new ATOM 0 HB2 GLU A 132 -21.394 -1.668 0.121 1.00 0.48 H new ATOM 0 HB3 GLU A 132 -19.672 -1.975 0.226 1.00 0.48 H new ATOM 0 HG2 GLU A 132 -19.676 -1.802 2.606 1.00 1.02 H new ATOM 0 HG3 GLU A 132 -21.270 -1.075 2.633 1.00 1.02 H new ATOM 2050 N LYS A 133 -21.356 1.197 2.297 1.00 0.32 N ATOM 2051 CA LYS A 133 -22.420 1.986 2.907 1.00 0.36 C ATOM 2052 C LYS A 133 -22.355 3.430 2.420 1.00 0.37 C ATOM 2053 O LYS A 133 -23.370 4.126 2.377 1.00 0.46 O ATOM 2054 CB LYS A 133 -22.342 1.921 4.436 1.00 0.37 C ATOM 2055 CG LYS A 133 -21.181 2.697 5.035 1.00 0.36 C ATOM 2056 CD LYS A 133 -20.980 2.359 6.507 1.00 0.66 C ATOM 2057 CE LYS A 133 -22.208 2.691 7.344 1.00 1.04 C ATOM 2058 NZ LYS A 133 -22.541 4.140 7.296 1.00 1.90 N ATOM 0 H LYS A 133 -20.631 0.886 2.944 1.00 0.32 H new ATOM 0 HA LYS A 133 -23.378 1.563 2.604 1.00 0.36 H new ATOM 0 HB2 LYS A 133 -23.274 2.304 4.853 1.00 0.37 H new ATOM 0 HB3 LYS A 133 -22.262 0.877 4.740 1.00 0.37 H new ATOM 0 HG2 LYS A 133 -20.269 2.473 4.482 1.00 0.36 H new ATOM 0 HG3 LYS A 133 -21.364 3.766 4.928 1.00 0.36 H new ATOM 0 HD2 LYS A 133 -20.750 1.298 6.607 1.00 0.66 H new ATOM 0 HD3 LYS A 133 -20.121 2.909 6.891 1.00 0.66 H new ATOM 0 HE2 LYS A 133 -23.059 2.112 6.985 1.00 1.04 H new ATOM 0 HE3 LYS A 133 -22.033 2.393 8.378 1.00 1.04 H new ATOM 0 HZ1 LYS A 133 -23.284 4.349 7.994 1.00 1.90 H new ATOM 0 HZ2 LYS A 133 -21.692 4.699 7.516 1.00 1.90 H new ATOM 0 HZ3 LYS A 133 -22.881 4.387 6.345 1.00 1.90 H new ATOM 2072 N ILE A 134 -21.155 3.873 2.051 1.00 0.32 N ATOM 2073 CA ILE A 134 -20.965 5.224 1.539 1.00 0.34 C ATOM 2074 C ILE A 134 -21.350 5.277 0.066 1.00 0.39 C ATOM 2075 O ILE A 134 -21.958 6.244 -0.394 1.00 0.48 O ATOM 2076 CB ILE A 134 -19.504 5.706 1.706 1.00 0.31 C ATOM 2077 CG1 ILE A 134 -19.205 5.983 3.181 1.00 0.32 C ATOM 2078 CG2 ILE A 134 -19.247 6.953 0.868 1.00 0.34 C ATOM 2079 CD1 ILE A 134 -17.744 6.271 3.461 1.00 0.33 C ATOM 0 H ILE A 134 -20.302 3.315 2.098 1.00 0.32 H new ATOM 0 HA ILE A 134 -21.606 5.888 2.119 1.00 0.34 H new ATOM 0 HB ILE A 134 -18.839 4.917 1.355 1.00 0.31 H new ATOM 0 HG12 ILE A 134 -19.804 6.832 3.511 1.00 0.32 H new ATOM 0 HG13 ILE A 134 -19.517 5.123 3.774 1.00 0.32 H new ATOM 0 HG21 ILE A 134 -18.214 7.274 1.001 1.00 0.34 H new ATOM 0 HG22 ILE A 134 -19.425 6.728 -0.184 1.00 0.34 H new ATOM 0 HG23 ILE A 134 -19.919 7.750 1.187 1.00 0.34 H new ATOM 0 HD11 ILE A 134 -17.608 6.458 4.526 1.00 0.33 H new ATOM 0 HD12 ILE A 134 -17.140 5.414 3.163 1.00 0.33 H new ATOM 0 HD13 ILE A 134 -17.431 7.149 2.896 1.00 0.33 H new ATOM 2091 N LEU A 135 -20.992 4.225 -0.667 1.00 0.38 N ATOM 2092 CA LEU A 135 -21.308 4.141 -2.086 1.00 0.48 C ATOM 2093 C LEU A 135 -22.816 4.206 -2.291 1.00 0.58 C ATOM 2094 O LEU A 135 -23.294 4.781 -3.268 1.00 0.71 O ATOM 2095 CB LEU A 135 -20.745 2.851 -2.689 1.00 0.51 C ATOM 2096 CG LEU A 135 -20.880 2.731 -4.209 1.00 0.59 C ATOM 2097 CD1 LEU A 135 -20.050 3.798 -4.907 1.00 1.33 C ATOM 2098 CD2 LEU A 135 -20.460 1.346 -4.673 1.00 1.37 C ATOM 0 H LEU A 135 -20.483 3.421 -0.300 1.00 0.38 H new ATOM 0 HA LEU A 135 -20.846 4.987 -2.595 1.00 0.48 H new ATOM 0 HB2 LEU A 135 -19.690 2.776 -2.427 1.00 0.51 H new ATOM 0 HB3 LEU A 135 -21.249 2.002 -2.227 1.00 0.51 H new ATOM 0 HG LEU A 135 -21.927 2.882 -4.472 1.00 0.59 H new ATOM 0 HD11 LEU A 135 -20.159 3.696 -5.987 1.00 1.33 H new ATOM 0 HD12 LEU A 135 -20.394 4.786 -4.599 1.00 1.33 H new ATOM 0 HD13 LEU A 135 -19.001 3.678 -4.636 1.00 1.33 H new ATOM 0 HD21 LEU A 135 -20.562 1.279 -5.756 1.00 1.37 H new ATOM 0 HD22 LEU A 135 -19.421 1.169 -4.395 1.00 1.37 H new ATOM 0 HD23 LEU A 135 -21.095 0.596 -4.201 1.00 1.37 H new ATOM 2110 N LYS A 136 -23.562 3.610 -1.362 1.00 0.58 N ATOM 2111 CA LYS A 136 -25.018 3.618 -1.433 1.00 0.72 C ATOM 2112 C LYS A 136 -25.540 5.042 -1.316 1.00 0.77 C ATOM 2113 O LYS A 136 -26.464 5.439 -2.026 1.00 0.91 O ATOM 2114 CB LYS A 136 -25.617 2.754 -0.324 1.00 0.79 C ATOM 2115 CG LYS A 136 -25.420 1.264 -0.539 1.00 1.26 C ATOM 2116 CD LYS A 136 -26.178 0.446 0.494 1.00 1.73 C ATOM 2117 CE LYS A 136 -27.682 0.580 0.317 1.00 2.54 C ATOM 2118 NZ LYS A 136 -28.432 -0.233 1.312 1.00 3.36 N ATOM 0 H LYS A 136 -23.181 3.117 -0.554 1.00 0.58 H new ATOM 0 HA LYS A 136 -25.316 3.205 -2.396 1.00 0.72 H new ATOM 0 HB2 LYS A 136 -25.168 3.037 0.628 1.00 0.79 H new ATOM 0 HB3 LYS A 136 -26.684 2.963 -0.248 1.00 0.79 H new ATOM 0 HG2 LYS A 136 -25.758 0.992 -1.539 1.00 1.26 H new ATOM 0 HG3 LYS A 136 -24.358 1.025 -0.485 1.00 1.26 H new ATOM 0 HD2 LYS A 136 -25.893 -0.603 0.410 1.00 1.73 H new ATOM 0 HD3 LYS A 136 -25.898 0.773 1.495 1.00 1.73 H new ATOM 0 HE2 LYS A 136 -27.967 1.627 0.415 1.00 2.54 H new ATOM 0 HE3 LYS A 136 -27.958 0.267 -0.690 1.00 2.54 H new ATOM 0 HZ1 LYS A 136 -29.454 -0.114 1.158 1.00 3.36 H new ATOM 0 HZ2 LYS A 136 -28.179 -1.236 1.202 1.00 3.36 H new ATOM 0 HZ3 LYS A 136 -28.188 0.082 2.273 1.00 3.36 H new ATOM 2132 N GLU A 137 -24.941 5.803 -0.407 1.00 0.70 N ATOM 2133 CA GLU A 137 -25.324 7.191 -0.201 1.00 0.82 C ATOM 2134 C GLU A 137 -24.820 8.042 -1.357 1.00 0.87 C ATOM 2135 O GLU A 137 -25.214 9.198 -1.514 1.00 1.03 O ATOM 2136 CB GLU A 137 -24.751 7.708 1.119 1.00 0.82 C ATOM 2137 CG GLU A 137 -25.183 6.896 2.327 1.00 1.02 C ATOM 2138 CD GLU A 137 -24.537 7.376 3.610 1.00 1.61 C ATOM 2139 OE1 GLU A 137 -24.943 8.443 4.116 1.00 2.01 O ATOM 2140 OE2 GLU A 137 -23.623 6.687 4.108 1.00 2.28 O ATOM 0 H GLU A 137 -24.187 5.480 0.199 1.00 0.70 H new ATOM 0 HA GLU A 137 -26.411 7.255 -0.158 1.00 0.82 H new ATOM 0 HB2 GLU A 137 -23.663 7.705 1.059 1.00 0.82 H new ATOM 0 HB3 GLU A 137 -25.059 8.744 1.259 1.00 0.82 H new ATOM 0 HG2 GLU A 137 -26.267 6.949 2.428 1.00 1.02 H new ATOM 0 HG3 GLU A 137 -24.929 5.848 2.166 1.00 1.02 H new ATOM 2147 N GLN A 138 -23.943 7.453 -2.164 1.00 0.80 N ATOM 2148 CA GLN A 138 -23.371 8.138 -3.315 1.00 0.89 C ATOM 2149 C GLN A 138 -24.294 8.017 -4.523 1.00 1.04 C ATOM 2150 O GLN A 138 -24.394 8.934 -5.337 1.00 1.19 O ATOM 2151 CB GLN A 138 -21.999 7.550 -3.647 1.00 0.87 C ATOM 2152 CG GLN A 138 -20.978 8.585 -4.088 1.00 0.80 C ATOM 2153 CD GLN A 138 -20.669 9.594 -3.001 1.00 1.08 C ATOM 2154 OE1 GLN A 138 -21.305 10.643 -2.912 1.00 1.75 O ATOM 2155 NE2 GLN A 138 -19.688 9.280 -2.165 1.00 1.60 N ATOM 0 H GLN A 138 -23.612 6.496 -2.039 1.00 0.80 H new ATOM 0 HA GLN A 138 -23.257 9.193 -3.068 1.00 0.89 H new ATOM 0 HB2 GLN A 138 -21.617 7.027 -2.771 1.00 0.87 H new ATOM 0 HB3 GLN A 138 -22.114 6.807 -4.437 1.00 0.87 H new ATOM 0 HG2 GLN A 138 -20.058 8.080 -4.383 1.00 0.80 H new ATOM 0 HG3 GLN A 138 -21.352 9.107 -4.969 1.00 0.80 H new ATOM 0 HE21 GLN A 138 -19.186 8.399 -2.275 1.00 1.60 H new ATOM 0 HE22 GLN A 138 -19.435 9.920 -1.412 1.00 1.60 H new ATOM 2164 N GLU A 139 -24.969 6.876 -4.630 1.00 1.14 N ATOM 2165 CA GLU A 139 -25.886 6.629 -5.737 1.00 1.35 C ATOM 2166 C GLU A 139 -27.302 7.075 -5.386 1.00 1.86 C ATOM 2167 O GLU A 139 -27.702 8.168 -5.834 1.00 2.30 O ATOM 2168 CB GLU A 139 -25.875 5.146 -6.120 1.00 1.47 C ATOM 2169 CG GLU A 139 -25.984 4.201 -4.933 1.00 1.46 C ATOM 2170 CD GLU A 139 -26.025 2.745 -5.351 1.00 2.03 C ATOM 2171 OE1 GLU A 139 -24.944 2.155 -5.557 1.00 1.94 O ATOM 2172 OE2 GLU A 139 -27.138 2.195 -5.471 1.00 2.99 O ATOM 2173 OXT GLU A 139 -28.000 6.332 -4.665 1.00 2.51 O ATOM 0 H GLU A 139 -24.898 6.108 -3.963 1.00 1.14 H new ATOM 0 HA GLU A 139 -25.548 7.215 -6.592 1.00 1.35 H new ATOM 0 HB2 GLU A 139 -26.701 4.951 -6.804 1.00 1.47 H new ATOM 0 HB3 GLU A 139 -24.955 4.928 -6.662 1.00 1.47 H new ATOM 0 HG2 GLU A 139 -25.136 4.360 -4.267 1.00 1.46 H new ATOM 0 HG3 GLU A 139 -26.884 4.438 -4.366 1.00 1.46 H new TER 2180 GLU A 139