USER MOD reduce.3.24.130724 H: found=0, std=0, add=1099, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1100 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 96 TYR OH : rot -112:sc= 1.09 USER MOD Set 1.2: A 119 TYR OH : rot 26:sc= 1.02 USER MOD Set 2.1: A 85 LYS NZ :NH3+ -135:sc= 0 (180deg=0) USER MOD Set 2.2: A 99 ASN : amide:sc= 1.07 K(o=1.1,f=-0.1) USER MOD Set 3.1: A 40 TYR OH : rot 180:sc= 0.319 USER MOD Set 3.2: A 110 THR OG1 : rot 131:sc= -0.447! USER MOD Set 4.1: A 38 SER OG : rot -102:sc= 1.34 USER MOD Set 4.2: A 39 HIS : no HD1:sc= 1.06 K(o=2.4,f=-6.3!) USER MOD Single : A 8 GLN : amide:sc= -1.82! C(o=-1.8!,f=-2.2!) USER MOD Single : A 13 LYS NZ :NH3+ 159:sc= -0.0731 (180deg=-0.521) USER MOD Single : A 14 GLN :FLIP amide:sc= -0.0649 F(o=-1.5!,f=-0.065) USER MOD Single : A 18 LYS NZ :NH3+ -153:sc= -1.22 (180deg=-2.7!) USER MOD Single : A 21 ASN : amide:sc= -0.36 X(o=-0.36,f=0) USER MOD Single : A 24 ASN : amide:sc= -2.35! C(o=-2.3!,f=-10!) USER MOD Single : A 25 TYR OH : rot -15:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.0678 X(o=-0.068,f=-0.19) USER MOD Single : A 29 TYR OH : rot 180:sc= 1.03 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HE2:sc= 1.22 K(o=1.2,f=-4.3!) USER MOD Single : A 36 ASN : amide:sc= -0.653 K(o=-0.65,f=-5.1!) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -1.21! C(o=-1.2!,f=-2.6!) USER MOD Single : A 50 HIS : no HD1:sc= -0.666 X(o=-0.67,f=-0.52) USER MOD Single : A 54 LYS NZ :NH3+ -177:sc= 0.00303 (180deg=-0.0164) USER MOD Single : A 55 ASN : amide:sc= -0.29 K(o=-0.29,f=-1.3) USER MOD Single : A 57 ASN : amide:sc= -0.0779 X(o=-0.078,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -150:sc= -1.25 (180deg=-3.19!) USER MOD Single : A 65 LYS NZ :NH3+ -164:sc= -0.0999 (180deg=-0.483) USER MOD Single : A 66 ASN : amide:sc= -0.0484 X(o=-0.048,f=-0.18) USER MOD Single : A 69 SER OG : rot -170:sc=-0.00988 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=-0.00079) USER MOD Single : A 81 THR OG1 : rot 83:sc= 1.24 USER MOD Single : A 82 THR OG1 : rot 69:sc= 0.904 USER MOD Single : A 83 SER OG : rot 109:sc= 1.25 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 70:sc= 1.19 USER MOD Single : A 92 THR OG1 : rot 121:sc= 1.35 USER MOD Single : A 94 GLN : amide:sc= 1.2 K(o=1.2,f=-0.078) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 ASN : amide:sc= -2.03! C(o=-2!,f=-5.9!) USER MOD Single : A 113 HIS : no HE2:sc= 1.09 K(o=1.1,f=-5.8!) USER MOD Single : A 115 GLN :FLIP amide:sc= -0.319 F(o=-2.7!,f=-0.32) USER MOD Single : A 116 LYS NZ :NH3+ 171:sc= -0.0113 (180deg=-0.107) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 48:sc= 0.675 USER MOD Single : A 124 ASN : amide:sc= -0.614 X(o=-0.61,f=-0.9) USER MOD Single : A 125 SER OG : rot 49:sc= 0.606 USER MOD Single : A 129 THR OG1 : rot 180:sc= 0 USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 133 GLN :FLIP amide:sc= 0 F(o=-0.58,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 7 -4.846 15.021 -15.357 1.00 0.00 N ATOM 2 CA ASP A 7 -5.768 14.078 -14.739 1.00 0.00 C ATOM 3 C ASP A 7 -5.453 13.871 -13.267 1.00 0.00 C ATOM 4 O ASP A 7 -4.301 13.988 -12.845 1.00 0.00 O ATOM 5 CB ASP A 7 -5.708 12.731 -15.466 1.00 0.00 C ATOM 6 CG ASP A 7 -6.314 12.787 -16.851 1.00 0.00 C ATOM 7 OD1 ASP A 7 -5.825 13.576 -17.689 1.00 0.00 O ATOM 8 OD2 ASP A 7 -7.273 12.036 -17.110 1.00 0.00 O ATOM 0 HA ASP A 7 -6.771 14.498 -14.819 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -4.669 12.409 -15.541 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -6.232 11.980 -14.875 1.00 0.00 H new ATOM 13 N GLN A 8 -6.483 13.544 -12.497 1.00 0.00 N ATOM 14 CA GLN A 8 -6.331 13.303 -11.069 1.00 0.00 C ATOM 15 C GLN A 8 -5.462 12.074 -10.837 1.00 0.00 C ATOM 16 O GLN A 8 -4.793 11.959 -9.811 1.00 0.00 O ATOM 17 CB GLN A 8 -7.701 13.125 -10.413 1.00 0.00 C ATOM 18 CG GLN A 8 -7.671 13.239 -8.900 1.00 0.00 C ATOM 19 CD GLN A 8 -9.059 13.303 -8.287 1.00 0.00 C ATOM 20 OE1 GLN A 8 -9.266 12.887 -7.148 1.00 0.00 O ATOM 21 NE2 GLN A 8 -10.019 13.814 -9.040 1.00 0.00 N ATOM 0 H GLN A 8 -7.438 13.439 -12.841 1.00 0.00 H new ATOM 0 HA GLN A 8 -5.842 14.165 -10.615 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -8.385 13.874 -10.812 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -8.102 12.149 -10.687 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -7.135 12.385 -8.486 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -7.113 14.132 -8.618 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.806 14.148 -9.980 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -10.972 13.874 -8.681 1.00 0.00 H new ATOM 30 N VAL A 9 -5.472 11.163 -11.806 1.00 0.00 N ATOM 31 CA VAL A 9 -4.586 10.005 -11.783 1.00 0.00 C ATOM 32 C VAL A 9 -3.126 10.455 -11.724 1.00 0.00 C ATOM 33 O VAL A 9 -2.317 9.883 -10.997 1.00 0.00 O ATOM 34 CB VAL A 9 -4.797 9.100 -13.020 1.00 0.00 C ATOM 35 CG1 VAL A 9 -3.818 7.936 -13.026 1.00 0.00 C ATOM 36 CG2 VAL A 9 -6.226 8.586 -13.066 1.00 0.00 C ATOM 0 H VAL A 9 -6.086 11.205 -12.619 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.828 9.427 -10.891 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.611 9.702 -13.909 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.992 7.319 -13.907 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.798 8.319 -13.047 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.962 7.335 -12.128 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.356 7.951 -13.942 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.434 8.008 -12.165 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.914 9.429 -13.123 1.00 0.00 H new ATOM 46 N VAL A 10 -2.808 11.504 -12.475 1.00 0.00 N ATOM 47 CA VAL A 10 -1.458 12.051 -12.495 1.00 0.00 C ATOM 48 C VAL A 10 -1.108 12.637 -11.133 1.00 0.00 C ATOM 49 O VAL A 10 -0.003 12.439 -10.627 1.00 0.00 O ATOM 50 CB VAL A 10 -1.297 13.136 -13.584 1.00 0.00 C ATOM 51 CG1 VAL A 10 0.124 13.685 -13.599 1.00 0.00 C ATOM 52 CG2 VAL A 10 -1.665 12.583 -14.952 1.00 0.00 C ATOM 0 H VAL A 10 -3.469 11.993 -13.079 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.776 11.233 -12.729 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.977 13.954 -13.346 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.212 14.447 -14.374 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.354 14.126 -12.629 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.825 12.876 -13.805 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.545 13.363 -15.704 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.013 11.743 -15.192 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.702 12.246 -14.941 1.00 0.00 H new ATOM 62 N ILE A 11 -2.067 13.336 -10.538 1.00 0.00 N ATOM 63 CA ILE A 11 -1.879 13.930 -9.217 1.00 0.00 C ATOM 64 C ILE A 11 -1.686 12.843 -8.162 1.00 0.00 C ATOM 65 O ILE A 11 -0.743 12.898 -7.377 1.00 0.00 O ATOM 66 CB ILE A 11 -3.068 14.847 -8.814 1.00 0.00 C ATOM 67 CG1 ILE A 11 -2.963 16.220 -9.490 1.00 0.00 C ATOM 68 CG2 ILE A 11 -3.143 15.020 -7.300 1.00 0.00 C ATOM 69 CD1 ILE A 11 -3.102 16.193 -10.996 1.00 0.00 C ATOM 0 H ILE A 11 -2.985 13.506 -10.949 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.983 14.548 -9.270 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.981 14.359 -9.155 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.733 16.873 -9.079 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.000 16.663 -9.235 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.984 15.666 -7.049 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -3.280 14.047 -6.829 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.219 15.471 -6.939 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.015 17.206 -11.388 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.316 15.570 -11.423 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.076 15.783 -11.264 1.00 0.00 H new ATOM 81 N PHE A 12 -2.568 11.851 -8.159 1.00 0.00 N ATOM 82 CA PHE A 12 -2.490 10.769 -7.183 1.00 0.00 C ATOM 83 C PHE A 12 -1.225 9.941 -7.353 1.00 0.00 C ATOM 84 O PHE A 12 -0.580 9.581 -6.371 1.00 0.00 O ATOM 85 CB PHE A 12 -3.726 9.876 -7.251 1.00 0.00 C ATOM 86 CG PHE A 12 -4.791 10.277 -6.274 1.00 0.00 C ATOM 87 CD1 PHE A 12 -5.705 11.269 -6.589 1.00 0.00 C ATOM 88 CD2 PHE A 12 -4.871 9.667 -5.031 1.00 0.00 C ATOM 89 CE1 PHE A 12 -6.677 11.644 -5.686 1.00 0.00 C ATOM 90 CE2 PHE A 12 -5.842 10.039 -4.125 1.00 0.00 C ATOM 91 CZ PHE A 12 -6.745 11.028 -4.453 1.00 0.00 C ATOM 0 H PHE A 12 -3.343 11.772 -8.818 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.452 11.232 -6.197 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -4.136 9.908 -8.261 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -3.433 8.844 -7.058 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -5.656 11.754 -7.553 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.165 8.892 -4.770 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -7.384 12.419 -5.943 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -5.895 9.556 -3.160 1.00 0.00 H new ATOM 0 HZ PHE A 12 -7.506 11.321 -3.745 1.00 0.00 H new ATOM 101 N LYS A 13 -0.852 9.647 -8.593 1.00 0.00 N ATOM 102 CA LYS A 13 0.367 8.888 -8.828 1.00 0.00 C ATOM 103 C LYS A 13 1.583 9.753 -8.513 1.00 0.00 C ATOM 104 O LYS A 13 2.680 9.242 -8.323 1.00 0.00 O ATOM 105 CB LYS A 13 0.444 8.377 -10.269 1.00 0.00 C ATOM 106 CG LYS A 13 1.483 7.279 -10.457 1.00 0.00 C ATOM 107 CD LYS A 13 2.102 7.304 -11.843 1.00 0.00 C ATOM 108 CE LYS A 13 3.061 8.474 -11.994 1.00 0.00 C ATOM 109 NZ LYS A 13 4.199 8.394 -11.031 1.00 0.00 N ATOM 0 H LYS A 13 -1.364 9.916 -9.433 1.00 0.00 H new ATOM 0 HA LYS A 13 0.356 8.020 -8.169 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.534 7.999 -10.567 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.680 9.210 -10.932 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.268 7.392 -9.709 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.018 6.308 -10.287 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.633 6.369 -12.024 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.316 7.375 -12.594 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.449 8.495 -13.012 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.520 9.408 -11.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.990 8.972 -11.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.894 8.749 -10.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.507 7.405 -10.939 1.00 0.00 H new ATOM 123 N GLN A 14 1.377 11.065 -8.473 1.00 0.00 N ATOM 124 CA GLN A 14 2.421 11.999 -8.071 1.00 0.00 C ATOM 125 C GLN A 14 2.570 11.956 -6.556 1.00 0.00 C ATOM 126 O GLN A 14 3.675 12.004 -6.023 1.00 0.00 O ATOM 127 CB GLN A 14 2.067 13.420 -8.526 1.00 0.00 C ATOM 128 CG GLN A 14 3.235 14.389 -8.510 1.00 0.00 C ATOM 129 CD GLN A 14 4.235 14.114 -9.615 1.00 0.00 C ATOM 130 OE1 GLN A 14 3.753 13.620 -10.746 1.00 0.00 O flip ATOM 131 NE2 GLN A 14 5.429 14.359 -9.459 1.00 0.00 N flip ATOM 0 H GLN A 14 0.490 11.507 -8.716 1.00 0.00 H new ATOM 0 HA GLN A 14 3.363 11.713 -8.539 1.00 0.00 H new ATOM 0 HB2 GLN A 14 1.661 13.375 -9.537 1.00 0.00 H new ATOM 0 HB3 GLN A 14 1.278 13.809 -7.883 1.00 0.00 H new ATOM 0 HG2 GLN A 14 2.859 15.407 -8.610 1.00 0.00 H new ATOM 0 HG3 GLN A 14 3.739 14.329 -7.545 1.00 0.00 H new ATOM 0 HE21 GLN A 14 5.760 14.739 -8.572 1.00 0.00 H new ATOM 0 HE22 GLN A 14 6.089 14.182 -10.216 1.00 0.00 H new ATOM 140 N ILE A 15 1.430 11.856 -5.876 1.00 0.00 N ATOM 141 CA ILE A 15 1.388 11.719 -4.424 1.00 0.00 C ATOM 142 C ILE A 15 2.151 10.475 -3.978 1.00 0.00 C ATOM 143 O ILE A 15 3.083 10.555 -3.171 1.00 0.00 O ATOM 144 CB ILE A 15 -0.076 11.630 -3.922 1.00 0.00 C ATOM 145 CG1 ILE A 15 -0.829 12.926 -4.243 1.00 0.00 C ATOM 146 CG2 ILE A 15 -0.126 11.337 -2.429 1.00 0.00 C ATOM 147 CD1 ILE A 15 -2.302 12.877 -3.894 1.00 0.00 C ATOM 0 H ILE A 15 0.510 11.868 -6.317 1.00 0.00 H new ATOM 0 HA ILE A 15 1.860 12.603 -3.994 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.564 10.805 -4.442 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.364 13.750 -3.702 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.724 13.143 -5.306 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.165 11.280 -2.104 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.370 10.387 -2.228 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.381 12.134 -1.885 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.768 13.829 -4.149 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.782 12.076 -4.455 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.417 12.691 -2.826 1.00 0.00 H new ATOM 159 N PHE A 16 1.761 9.331 -4.526 1.00 0.00 N ATOM 160 CA PHE A 16 2.394 8.061 -4.198 1.00 0.00 C ATOM 161 C PHE A 16 3.852 8.038 -4.650 1.00 0.00 C ATOM 162 O PHE A 16 4.690 7.385 -4.036 1.00 0.00 O ATOM 163 CB PHE A 16 1.632 6.900 -4.844 1.00 0.00 C ATOM 164 CG PHE A 16 0.327 6.562 -4.168 1.00 0.00 C ATOM 165 CD1 PHE A 16 -0.752 7.432 -4.224 1.00 0.00 C ATOM 166 CD2 PHE A 16 0.184 5.373 -3.474 1.00 0.00 C ATOM 167 CE1 PHE A 16 -1.947 7.119 -3.603 1.00 0.00 C ATOM 168 CE2 PHE A 16 -1.009 5.055 -2.851 1.00 0.00 C ATOM 169 CZ PHE A 16 -2.076 5.929 -2.917 1.00 0.00 C ATOM 0 H PHE A 16 1.003 9.258 -5.205 1.00 0.00 H new ATOM 0 HA PHE A 16 2.368 7.947 -3.114 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.434 7.146 -5.887 1.00 0.00 H new ATOM 0 HB3 PHE A 16 2.269 6.016 -4.840 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.657 8.365 -4.759 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.015 4.685 -3.418 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.779 7.806 -3.655 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -1.106 4.124 -2.313 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.009 5.682 -2.433 1.00 0.00 H new ATOM 179 N ASP A 17 4.151 8.763 -5.720 1.00 0.00 N ATOM 180 CA ASP A 17 5.507 8.803 -6.257 1.00 0.00 C ATOM 181 C ASP A 17 6.404 9.648 -5.367 1.00 0.00 C ATOM 182 O ASP A 17 7.563 9.296 -5.119 1.00 0.00 O ATOM 183 CB ASP A 17 5.507 9.373 -7.672 1.00 0.00 C ATOM 184 CG ASP A 17 6.722 8.951 -8.458 1.00 0.00 C ATOM 185 OD1 ASP A 17 7.775 9.601 -8.334 1.00 0.00 O ATOM 186 OD2 ASP A 17 6.622 7.959 -9.205 1.00 0.00 O ATOM 0 H ASP A 17 3.476 9.330 -6.233 1.00 0.00 H new ATOM 0 HA ASP A 17 5.891 7.783 -6.286 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.608 9.045 -8.193 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.468 10.461 -7.623 1.00 0.00 H new ATOM 191 N LYS A 18 5.853 10.758 -4.880 1.00 0.00 N ATOM 192 CA LYS A 18 6.578 11.655 -3.990 1.00 0.00 C ATOM 193 C LYS A 18 7.075 10.894 -2.763 1.00 0.00 C ATOM 194 O LYS A 18 8.259 10.940 -2.429 1.00 0.00 O ATOM 195 CB LYS A 18 5.692 12.840 -3.559 1.00 0.00 C ATOM 196 CG LYS A 18 6.433 13.876 -2.732 1.00 0.00 C ATOM 197 CD LYS A 18 7.572 14.523 -3.509 1.00 0.00 C ATOM 198 CE LYS A 18 7.096 15.668 -4.397 1.00 0.00 C ATOM 199 NZ LYS A 18 6.198 15.219 -5.496 1.00 0.00 N ATOM 0 H LYS A 18 4.901 11.057 -5.090 1.00 0.00 H new ATOM 0 HA LYS A 18 7.436 12.051 -4.533 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.282 13.320 -4.448 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.847 12.462 -2.983 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.734 14.646 -2.406 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.830 13.405 -1.833 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.319 14.897 -2.809 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.062 13.769 -4.125 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.572 16.402 -3.784 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.962 16.172 -4.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.270 15.881 -6.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.480 14.268 -5.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.216 15.195 -5.154 1.00 0.00 H new ATOM 213 N VAL A 19 6.172 10.159 -2.125 1.00 0.00 N ATOM 214 CA VAL A 19 6.510 9.424 -0.915 1.00 0.00 C ATOM 215 C VAL A 19 7.349 8.184 -1.238 1.00 0.00 C ATOM 216 O VAL A 19 8.133 7.723 -0.410 1.00 0.00 O ATOM 217 CB VAL A 19 5.241 9.021 -0.125 1.00 0.00 C ATOM 218 CG1 VAL A 19 4.396 8.031 -0.911 1.00 0.00 C ATOM 219 CG2 VAL A 19 5.607 8.453 1.235 1.00 0.00 C ATOM 0 H VAL A 19 5.203 10.057 -2.425 1.00 0.00 H new ATOM 0 HA VAL A 19 7.104 10.089 -0.288 1.00 0.00 H new ATOM 0 HB VAL A 19 4.647 9.921 0.030 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.512 7.766 -0.331 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.089 8.483 -1.854 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.980 7.133 -1.112 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.699 8.177 1.771 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.233 7.570 1.104 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.152 9.203 1.808 1.00 0.00 H new ATOM 229 N ARG A 20 7.207 7.671 -2.457 1.00 0.00 N ATOM 230 CA ARG A 20 7.918 6.467 -2.878 1.00 0.00 C ATOM 231 C ARG A 20 9.430 6.677 -2.873 1.00 0.00 C ATOM 232 O ARG A 20 10.188 5.804 -2.445 1.00 0.00 O ATOM 233 CB ARG A 20 7.462 6.038 -4.280 1.00 0.00 C ATOM 234 CG ARG A 20 8.253 4.871 -4.841 1.00 0.00 C ATOM 235 CD ARG A 20 7.739 4.427 -6.203 1.00 0.00 C ATOM 236 NE ARG A 20 7.848 5.471 -7.227 1.00 0.00 N ATOM 237 CZ ARG A 20 8.734 5.446 -8.225 1.00 0.00 C ATOM 238 NH1 ARG A 20 9.698 4.536 -8.250 1.00 0.00 N ATOM 239 NH2 ARG A 20 8.681 6.355 -9.189 1.00 0.00 N ATOM 0 H ARG A 20 6.603 8.073 -3.174 1.00 0.00 H new ATOM 0 HA ARG A 20 7.680 5.680 -2.162 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.407 5.768 -4.244 1.00 0.00 H new ATOM 0 HB3 ARG A 20 7.551 6.887 -4.958 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.302 5.153 -4.925 1.00 0.00 H new ATOM 0 HG3 ARG A 20 8.203 4.033 -4.145 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.298 3.549 -6.527 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.696 4.125 -6.110 1.00 0.00 H new ATOM 0 HE ARG A 20 7.208 6.264 -7.173 1.00 0.00 H new ATOM 0 HH11 ARG A 20 9.768 3.846 -7.502 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.370 4.526 -9.017 1.00 0.00 H new ATOM 0 HH21 ARG A 20 7.961 7.077 -9.170 1.00 0.00 H new ATOM 0 HH22 ARG A 20 9.360 6.332 -9.950 1.00 0.00 H new ATOM 253 N ASN A 21 9.866 7.836 -3.343 1.00 0.00 N ATOM 254 CA ASN A 21 11.290 8.090 -3.523 1.00 0.00 C ATOM 255 C ASN A 21 11.863 8.961 -2.411 1.00 0.00 C ATOM 256 O ASN A 21 13.057 8.890 -2.114 1.00 0.00 O ATOM 257 CB ASN A 21 11.555 8.747 -4.882 1.00 0.00 C ATOM 258 CG ASN A 21 11.110 7.880 -6.047 1.00 0.00 C ATOM 259 OD1 ASN A 21 11.840 6.992 -6.495 1.00 0.00 O ATOM 260 ND2 ASN A 21 9.914 8.140 -6.558 1.00 0.00 N ATOM 0 H ASN A 21 9.259 8.613 -3.606 1.00 0.00 H new ATOM 0 HA ASN A 21 11.791 7.123 -3.483 1.00 0.00 H new ATOM 0 HB2 ASN A 21 11.035 9.704 -4.926 1.00 0.00 H new ATOM 0 HB3 ASN A 21 12.620 8.959 -4.978 1.00 0.00 H new ATOM 0 HD21 ASN A 21 9.569 7.597 -7.349 1.00 0.00 H new ATOM 0 HD22 ASN A 21 9.340 8.883 -6.160 1.00 0.00 H new ATOM 267 N ASP A 22 11.025 9.789 -1.800 1.00 0.00 N ATOM 268 CA ASP A 22 11.498 10.698 -0.760 1.00 0.00 C ATOM 269 C ASP A 22 11.300 10.087 0.626 1.00 0.00 C ATOM 270 O ASP A 22 12.019 10.420 1.569 1.00 0.00 O ATOM 271 CB ASP A 22 10.770 12.042 -0.856 1.00 0.00 C ATOM 272 CG ASP A 22 11.430 13.128 -0.028 1.00 0.00 C ATOM 273 OD1 ASP A 22 12.328 13.818 -0.560 1.00 0.00 O ATOM 274 OD2 ASP A 22 11.051 13.304 1.147 1.00 0.00 O ATOM 0 H ASP A 22 10.027 9.851 -2.002 1.00 0.00 H new ATOM 0 HA ASP A 22 12.564 10.864 -0.912 1.00 0.00 H new ATOM 0 HB2 ASP A 22 10.735 12.357 -1.899 1.00 0.00 H new ATOM 0 HB3 ASP A 22 9.739 11.916 -0.526 1.00 0.00 H new ATOM 279 N LEU A 23 10.327 9.181 0.728 1.00 0.00 N ATOM 280 CA LEU A 23 10.000 8.500 1.985 1.00 0.00 C ATOM 281 C LEU A 23 9.439 9.479 3.009 1.00 0.00 C ATOM 282 O LEU A 23 9.538 9.269 4.222 1.00 0.00 O ATOM 283 CB LEU A 23 11.220 7.764 2.551 1.00 0.00 C ATOM 284 CG LEU A 23 11.777 6.659 1.655 1.00 0.00 C ATOM 285 CD1 LEU A 23 12.871 5.890 2.372 1.00 0.00 C ATOM 286 CD2 LEU A 23 10.663 5.720 1.216 1.00 0.00 C ATOM 0 H LEU A 23 9.742 8.897 -0.058 1.00 0.00 H new ATOM 0 HA LEU A 23 9.231 7.759 1.767 1.00 0.00 H new ATOM 0 HB2 LEU A 23 12.010 8.491 2.740 1.00 0.00 H new ATOM 0 HB3 LEU A 23 10.950 7.330 3.514 1.00 0.00 H new ATOM 0 HG LEU A 23 12.210 7.121 0.767 1.00 0.00 H new ATOM 0 HD11 LEU A 23 13.255 5.108 1.717 1.00 0.00 H new ATOM 0 HD12 LEU A 23 13.680 6.570 2.637 1.00 0.00 H new ATOM 0 HD13 LEU A 23 12.465 5.439 3.277 1.00 0.00 H new ATOM 0 HD21 LEU A 23 11.076 4.938 0.578 1.00 0.00 H new ATOM 0 HD22 LEU A 23 10.202 5.267 2.094 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.911 6.281 0.661 1.00 0.00 H new ATOM 298 N ASN A 24 8.819 10.535 2.508 1.00 0.00 N ATOM 299 CA ASN A 24 8.190 11.537 3.351 1.00 0.00 C ATOM 300 C ASN A 24 6.761 11.119 3.697 1.00 0.00 C ATOM 301 O ASN A 24 5.794 11.775 3.321 1.00 0.00 O ATOM 302 CB ASN A 24 8.212 12.916 2.666 1.00 0.00 C ATOM 303 CG ASN A 24 7.575 12.922 1.280 1.00 0.00 C ATOM 304 OD1 ASN A 24 7.558 11.912 0.578 1.00 0.00 O ATOM 305 ND2 ASN A 24 7.062 14.071 0.868 1.00 0.00 N ATOM 0 H ASN A 24 8.738 10.721 1.508 1.00 0.00 H new ATOM 0 HA ASN A 24 8.756 11.616 4.279 1.00 0.00 H new ATOM 0 HB2 ASN A 24 7.691 13.635 3.299 1.00 0.00 H new ATOM 0 HB3 ASN A 24 9.245 13.254 2.583 1.00 0.00 H new ATOM 0 HD21 ASN A 24 6.636 14.137 -0.057 1.00 0.00 H new ATOM 0 HD22 ASN A 24 7.092 14.890 1.475 1.00 0.00 H new ATOM 312 N TYR A 25 6.645 10.016 4.434 1.00 0.00 N ATOM 313 CA TYR A 25 5.344 9.458 4.807 1.00 0.00 C ATOM 314 C TYR A 25 4.512 10.470 5.593 1.00 0.00 C ATOM 315 O TYR A 25 3.284 10.403 5.599 1.00 0.00 O ATOM 316 CB TYR A 25 5.525 8.178 5.629 1.00 0.00 C ATOM 317 CG TYR A 25 6.165 7.040 4.861 1.00 0.00 C ATOM 318 CD1 TYR A 25 5.391 6.163 4.111 1.00 0.00 C ATOM 319 CD2 TYR A 25 7.543 6.848 4.880 1.00 0.00 C ATOM 320 CE1 TYR A 25 5.973 5.123 3.405 1.00 0.00 C ATOM 321 CE2 TYR A 25 8.128 5.812 4.178 1.00 0.00 C ATOM 322 CZ TYR A 25 7.341 4.956 3.439 1.00 0.00 C ATOM 323 OH TYR A 25 7.925 3.925 2.740 1.00 0.00 O ATOM 0 H TYR A 25 7.442 9.487 4.788 1.00 0.00 H new ATOM 0 HA TYR A 25 4.810 9.218 3.888 1.00 0.00 H new ATOM 0 HB2 TYR A 25 6.137 8.403 6.503 1.00 0.00 H new ATOM 0 HB3 TYR A 25 4.551 7.853 5.996 1.00 0.00 H new ATOM 0 HD1 TYR A 25 4.320 6.294 4.078 1.00 0.00 H new ATOM 0 HD2 TYR A 25 8.165 7.520 5.453 1.00 0.00 H new ATOM 0 HE1 TYR A 25 5.358 4.446 2.831 1.00 0.00 H new ATOM 0 HE2 TYR A 25 9.199 5.674 4.208 1.00 0.00 H new ATOM 0 HH TYR A 25 7.238 3.276 2.479 1.00 0.00 H new ATOM 333 N GLN A 26 5.197 11.412 6.235 1.00 0.00 N ATOM 334 CA GLN A 26 4.548 12.478 6.988 1.00 0.00 C ATOM 335 C GLN A 26 3.591 13.263 6.086 1.00 0.00 C ATOM 336 O GLN A 26 2.471 13.592 6.487 1.00 0.00 O ATOM 337 CB GLN A 26 5.628 13.391 7.593 1.00 0.00 C ATOM 338 CG GLN A 26 5.106 14.529 8.461 1.00 0.00 C ATOM 339 CD GLN A 26 4.946 15.830 7.698 1.00 0.00 C ATOM 340 OE1 GLN A 26 3.878 16.131 7.170 1.00 0.00 O ATOM 341 NE2 GLN A 26 6.020 16.598 7.619 1.00 0.00 N ATOM 0 H GLN A 26 6.216 11.457 6.247 1.00 0.00 H new ATOM 0 HA GLN A 26 3.954 12.052 7.797 1.00 0.00 H new ATOM 0 HB2 GLN A 26 6.304 12.780 8.191 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.218 13.816 6.781 1.00 0.00 H new ATOM 0 HG2 GLN A 26 4.144 14.243 8.886 1.00 0.00 H new ATOM 0 HG3 GLN A 26 5.789 14.685 9.296 1.00 0.00 H new ATOM 0 HE21 GLN A 26 6.887 16.310 8.072 1.00 0.00 H new ATOM 0 HE22 GLN A 26 5.981 17.478 7.105 1.00 0.00 H new ATOM 350 N TRP A 27 4.025 13.517 4.854 1.00 0.00 N ATOM 351 CA TRP A 27 3.213 14.252 3.889 1.00 0.00 C ATOM 352 C TRP A 27 2.052 13.387 3.416 1.00 0.00 C ATOM 353 O TRP A 27 0.939 13.865 3.216 1.00 0.00 O ATOM 354 CB TRP A 27 4.076 14.687 2.681 1.00 0.00 C ATOM 355 CG TRP A 27 3.759 13.974 1.382 1.00 0.00 C ATOM 356 CD1 TRP A 27 4.090 12.692 1.029 1.00 0.00 C ATOM 357 CD2 TRP A 27 3.066 14.517 0.255 1.00 0.00 C ATOM 358 NE1 TRP A 27 3.599 12.404 -0.222 1.00 0.00 N ATOM 359 CE2 TRP A 27 2.988 13.508 -0.721 1.00 0.00 C ATOM 360 CE3 TRP A 27 2.491 15.751 -0.022 1.00 0.00 C ATOM 361 CZ2 TRP A 27 2.370 13.699 -1.948 1.00 0.00 C ATOM 362 CZ3 TRP A 27 1.880 15.937 -1.245 1.00 0.00 C ATOM 363 CH2 TRP A 27 1.821 14.917 -2.191 1.00 0.00 C ATOM 0 H TRP A 27 4.936 13.224 4.500 1.00 0.00 H new ATOM 0 HA TRP A 27 2.816 15.144 4.374 1.00 0.00 H new ATOM 0 HB2 TRP A 27 3.950 15.759 2.530 1.00 0.00 H new ATOM 0 HB3 TRP A 27 5.125 14.520 2.924 1.00 0.00 H new ATOM 0 HD1 TRP A 27 4.655 12.007 1.644 1.00 0.00 H new ATOM 0 HE1 TRP A 27 3.681 11.506 -0.698 1.00 0.00 H new ATOM 0 HE3 TRP A 27 2.522 16.549 0.705 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 2.327 12.909 -2.683 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 1.438 16.895 -1.474 1.00 0.00 H new ATOM 0 HH2 TRP A 27 1.329 15.098 -3.136 1.00 0.00 H new ATOM 374 N PHE A 28 2.326 12.098 3.300 1.00 0.00 N ATOM 375 CA PHE A 28 1.479 11.191 2.552 1.00 0.00 C ATOM 376 C PHE A 28 0.206 10.838 3.313 1.00 0.00 C ATOM 377 O PHE A 28 -0.878 10.818 2.738 1.00 0.00 O ATOM 378 CB PHE A 28 2.281 9.926 2.224 1.00 0.00 C ATOM 379 CG PHE A 28 1.548 8.901 1.405 1.00 0.00 C ATOM 380 CD1 PHE A 28 1.089 9.202 0.133 1.00 0.00 C ATOM 381 CD2 PHE A 28 1.339 7.625 1.905 1.00 0.00 C ATOM 382 CE1 PHE A 28 0.433 8.250 -0.623 1.00 0.00 C ATOM 383 CE2 PHE A 28 0.684 6.671 1.153 1.00 0.00 C ATOM 384 CZ PHE A 28 0.229 6.985 -0.112 1.00 0.00 C ATOM 0 H PHE A 28 3.141 11.654 3.722 1.00 0.00 H new ATOM 0 HA PHE A 28 1.166 11.685 1.632 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.185 10.216 1.689 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.598 9.463 3.158 1.00 0.00 H new ATOM 0 HD1 PHE A 28 1.246 10.191 -0.272 1.00 0.00 H new ATOM 0 HD2 PHE A 28 1.693 7.375 2.894 1.00 0.00 H new ATOM 0 HE1 PHE A 28 0.080 8.496 -1.614 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.528 5.680 1.554 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.286 6.241 -0.701 1.00 0.00 H new ATOM 394 N TYR A 29 0.336 10.562 4.605 1.00 0.00 N ATOM 395 CA TYR A 29 -0.819 10.178 5.409 1.00 0.00 C ATOM 396 C TYR A 29 -1.789 11.343 5.575 1.00 0.00 C ATOM 397 O TYR A 29 -2.998 11.143 5.671 1.00 0.00 O ATOM 398 CB TYR A 29 -0.378 9.639 6.772 1.00 0.00 C ATOM 399 CG TYR A 29 0.205 8.244 6.700 1.00 0.00 C ATOM 400 CD1 TYR A 29 -0.609 7.124 6.831 1.00 0.00 C ATOM 401 CD2 TYR A 29 1.563 8.045 6.489 1.00 0.00 C ATOM 402 CE1 TYR A 29 -0.086 5.848 6.755 1.00 0.00 C ATOM 403 CE2 TYR A 29 2.095 6.771 6.413 1.00 0.00 C ATOM 404 CZ TYR A 29 1.266 5.676 6.545 1.00 0.00 C ATOM 405 OH TYR A 29 1.792 4.405 6.465 1.00 0.00 O ATOM 0 H TYR A 29 1.219 10.596 5.115 1.00 0.00 H new ATOM 0 HA TYR A 29 -1.343 9.382 4.880 1.00 0.00 H new ATOM 0 HB2 TYR A 29 0.363 10.314 7.200 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -1.233 9.634 7.448 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -1.668 7.254 6.995 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.215 8.900 6.382 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -0.733 4.989 6.860 1.00 0.00 H new ATOM 0 HE2 TYR A 29 3.154 6.634 6.251 1.00 0.00 H new ATOM 0 HH TYR A 29 2.759 4.460 6.313 1.00 0.00 H new ATOM 415 N SER A 30 -1.258 12.558 5.591 1.00 0.00 N ATOM 416 CA SER A 30 -2.097 13.745 5.659 1.00 0.00 C ATOM 417 C SER A 30 -2.710 14.009 4.287 1.00 0.00 C ATOM 418 O SER A 30 -3.876 14.382 4.176 1.00 0.00 O ATOM 419 CB SER A 30 -1.274 14.952 6.123 1.00 0.00 C ATOM 420 OG SER A 30 -2.099 16.077 6.387 1.00 0.00 O ATOM 0 H SER A 30 -0.256 12.746 5.558 1.00 0.00 H new ATOM 0 HA SER A 30 -2.897 13.582 6.382 1.00 0.00 H new ATOM 0 HB2 SER A 30 -0.717 14.689 7.023 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.541 15.209 5.358 1.00 0.00 H new ATOM 0 HG SER A 30 -1.543 16.828 6.682 1.00 0.00 H new ATOM 426 N GLU A 31 -1.905 13.786 3.251 1.00 0.00 N ATOM 427 CA GLU A 31 -2.345 13.908 1.865 1.00 0.00 C ATOM 428 C GLU A 31 -3.543 12.986 1.622 1.00 0.00 C ATOM 429 O GLU A 31 -4.600 13.418 1.147 1.00 0.00 O ATOM 430 CB GLU A 31 -1.175 13.523 0.948 1.00 0.00 C ATOM 431 CG GLU A 31 -1.195 14.132 -0.448 1.00 0.00 C ATOM 432 CD GLU A 31 -2.408 15.009 -0.723 1.00 0.00 C ATOM 433 OE1 GLU A 31 -2.350 16.223 -0.414 1.00 0.00 O ATOM 434 OE2 GLU A 31 -3.417 14.496 -1.253 1.00 0.00 O ATOM 0 H GLU A 31 -0.927 13.515 3.350 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.652 14.932 1.653 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.245 13.813 1.437 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.158 12.438 0.850 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.291 14.725 -0.587 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.166 13.329 -1.184 1.00 0.00 H new ATOM 441 N LEU A 32 -3.371 11.716 1.984 1.00 0.00 N ATOM 442 CA LEU A 32 -4.434 10.729 1.861 1.00 0.00 C ATOM 443 C LEU A 32 -5.675 11.162 2.622 1.00 0.00 C ATOM 444 O LEU A 32 -6.771 11.126 2.086 1.00 0.00 O ATOM 445 CB LEU A 32 -3.980 9.364 2.383 1.00 0.00 C ATOM 446 CG LEU A 32 -2.921 8.651 1.546 1.00 0.00 C ATOM 447 CD1 LEU A 32 -2.567 7.316 2.177 1.00 0.00 C ATOM 448 CD2 LEU A 32 -3.411 8.446 0.122 1.00 0.00 C ATOM 0 H LEU A 32 -2.500 11.348 2.366 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.674 10.648 0.801 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.591 9.493 3.393 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.853 8.716 2.458 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.028 9.275 1.515 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.811 6.816 1.571 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.177 7.480 3.181 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.459 6.692 2.232 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.641 7.936 -0.458 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.318 7.841 0.133 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.626 9.414 -0.332 1.00 0.00 H new ATOM 460 N LYS A 33 -5.492 11.598 3.862 1.00 0.00 N ATOM 461 CA LYS A 33 -6.622 11.929 4.728 1.00 0.00 C ATOM 462 C LYS A 33 -7.471 13.058 4.135 1.00 0.00 C ATOM 463 O LYS A 33 -8.657 13.177 4.436 1.00 0.00 O ATOM 464 CB LYS A 33 -6.129 12.315 6.125 1.00 0.00 C ATOM 465 CG LYS A 33 -7.221 12.305 7.183 1.00 0.00 C ATOM 466 CD LYS A 33 -6.660 12.603 8.562 1.00 0.00 C ATOM 467 CE LYS A 33 -7.700 12.371 9.645 1.00 0.00 C ATOM 468 NZ LYS A 33 -7.167 12.673 10.999 1.00 0.00 N ATOM 0 H LYS A 33 -4.576 11.731 4.291 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.251 11.042 4.806 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.339 11.627 6.425 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.686 13.310 6.082 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.981 13.044 6.930 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -7.713 11.332 7.191 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.792 11.971 8.748 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.316 13.637 8.601 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -8.572 12.995 9.451 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.036 11.335 9.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.907 12.502 11.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.350 12.060 11.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.870 13.669 11.041 1.00 0.00 H new ATOM 482 N ARG A 34 -6.863 13.879 3.288 1.00 0.00 N ATOM 483 CA ARG A 34 -7.579 14.959 2.618 1.00 0.00 C ATOM 484 C ARG A 34 -8.461 14.413 1.497 1.00 0.00 C ATOM 485 O ARG A 34 -9.636 14.772 1.374 1.00 0.00 O ATOM 486 CB ARG A 34 -6.594 15.966 2.026 1.00 0.00 C ATOM 487 CG ARG A 34 -5.680 16.618 3.046 1.00 0.00 C ATOM 488 CD ARG A 34 -4.634 17.481 2.367 1.00 0.00 C ATOM 489 NE ARG A 34 -5.233 18.599 1.638 1.00 0.00 N ATOM 490 CZ ARG A 34 -4.656 19.196 0.597 1.00 0.00 C ATOM 491 NH1 ARG A 34 -3.555 18.686 0.062 1.00 0.00 N ATOM 492 NH2 ARG A 34 -5.209 20.278 0.058 1.00 0.00 N ATOM 0 H ARG A 34 -5.874 13.818 3.048 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.206 15.452 3.361 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -5.983 15.462 1.277 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.155 16.744 1.508 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -6.270 17.227 3.731 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.190 15.850 3.644 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.941 17.866 3.115 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.052 16.870 1.678 1.00 0.00 H new ATOM 0 HE ARG A 34 -6.144 18.940 1.944 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.148 17.834 0.448 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.115 19.146 -0.735 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -6.077 20.652 0.442 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.766 20.734 -0.739 1.00 0.00 H new ATOM 506 N HIS A 35 -7.882 13.542 0.684 1.00 0.00 N ATOM 507 CA HIS A 35 -8.548 13.049 -0.515 1.00 0.00 C ATOM 508 C HIS A 35 -9.137 11.659 -0.289 1.00 0.00 C ATOM 509 O HIS A 35 -10.358 11.474 -0.327 1.00 0.00 O ATOM 510 CB HIS A 35 -7.567 13.032 -1.693 1.00 0.00 C ATOM 511 CG HIS A 35 -7.178 14.401 -2.163 1.00 0.00 C ATOM 512 ND1 HIS A 35 -5.913 14.941 -2.005 1.00 0.00 N ATOM 513 CD2 HIS A 35 -7.908 15.348 -2.794 1.00 0.00 C ATOM 514 CE1 HIS A 35 -5.891 16.157 -2.516 1.00 0.00 C ATOM 515 NE2 HIS A 35 -7.087 16.425 -3.000 1.00 0.00 N ATOM 0 H HIS A 35 -6.948 13.160 0.833 1.00 0.00 H new ATOM 0 HA HIS A 35 -9.371 13.724 -0.749 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.669 12.487 -1.401 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -8.016 12.485 -2.522 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -5.122 14.472 -1.563 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -8.946 15.270 -3.082 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -5.038 16.820 -2.535 1.00 0.00 H new ATOM 524 N ASN A 36 -8.267 10.691 -0.042 1.00 0.00 N ATOM 525 CA ASN A 36 -8.688 9.316 0.187 1.00 0.00 C ATOM 526 C ASN A 36 -9.011 9.096 1.661 1.00 0.00 C ATOM 527 O ASN A 36 -8.193 8.587 2.426 1.00 0.00 O ATOM 528 CB ASN A 36 -7.600 8.341 -0.260 1.00 0.00 C ATOM 529 CG ASN A 36 -7.989 6.891 -0.034 1.00 0.00 C ATOM 530 OD1 ASN A 36 -9.164 6.533 -0.086 1.00 0.00 O ATOM 531 ND2 ASN A 36 -7.000 6.048 0.224 1.00 0.00 N ATOM 0 H ASN A 36 -7.258 10.834 0.005 1.00 0.00 H new ATOM 0 HA ASN A 36 -9.587 9.132 -0.401 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -7.390 8.497 -1.318 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.679 8.555 0.283 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -7.201 5.062 0.388 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.038 6.385 0.258 1.00 0.00 H new ATOM 538 N VAL A 37 -10.202 9.516 2.055 1.00 0.00 N ATOM 539 CA VAL A 37 -10.649 9.360 3.435 1.00 0.00 C ATOM 540 C VAL A 37 -11.268 7.975 3.631 1.00 0.00 C ATOM 541 O VAL A 37 -11.676 7.606 4.731 1.00 0.00 O ATOM 542 CB VAL A 37 -11.682 10.448 3.810 1.00 0.00 C ATOM 543 CG1 VAL A 37 -11.894 10.514 5.319 1.00 0.00 C ATOM 544 CG2 VAL A 37 -11.251 11.802 3.268 1.00 0.00 C ATOM 0 H VAL A 37 -10.879 9.968 1.441 1.00 0.00 H new ATOM 0 HA VAL A 37 -9.782 9.467 4.086 1.00 0.00 H new ATOM 0 HB VAL A 37 -12.634 10.178 3.352 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -12.626 11.288 5.550 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -12.259 9.551 5.678 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -10.949 10.749 5.809 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -11.990 12.555 3.541 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -10.284 12.072 3.691 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -11.170 11.750 2.182 1.00 0.00 H new ATOM 554 N SER A 38 -11.320 7.204 2.556 1.00 0.00 N ATOM 555 CA SER A 38 -11.925 5.890 2.605 1.00 0.00 C ATOM 556 C SER A 38 -10.854 4.801 2.647 1.00 0.00 C ATOM 557 O SER A 38 -10.509 4.308 3.724 1.00 0.00 O ATOM 558 CB SER A 38 -12.855 5.689 1.409 1.00 0.00 C ATOM 559 OG SER A 38 -13.632 4.514 1.554 1.00 0.00 O ATOM 0 H SER A 38 -10.950 7.468 1.643 1.00 0.00 H new ATOM 0 HA SER A 38 -12.516 5.816 3.518 1.00 0.00 H new ATOM 0 HB2 SER A 38 -13.513 6.552 1.308 1.00 0.00 H new ATOM 0 HB3 SER A 38 -12.266 5.628 0.494 1.00 0.00 H new ATOM 0 HG SER A 38 -13.255 3.802 0.997 1.00 0.00 H new ATOM 565 N HIS A 39 -10.307 4.446 1.485 1.00 0.00 N ATOM 566 CA HIS A 39 -9.367 3.334 1.394 1.00 0.00 C ATOM 567 C HIS A 39 -8.828 3.194 -0.025 1.00 0.00 C ATOM 568 O HIS A 39 -9.540 3.458 -0.992 1.00 0.00 O ATOM 569 CB HIS A 39 -10.049 2.022 1.813 1.00 0.00 C ATOM 570 CG HIS A 39 -11.146 1.571 0.890 1.00 0.00 C ATOM 571 ND1 HIS A 39 -12.388 2.167 0.834 1.00 0.00 N ATOM 572 CD2 HIS A 39 -11.174 0.574 -0.028 1.00 0.00 C ATOM 573 CE1 HIS A 39 -13.128 1.559 -0.071 1.00 0.00 C ATOM 574 NE2 HIS A 39 -12.416 0.590 -0.609 1.00 0.00 N ATOM 0 H HIS A 39 -10.499 4.911 0.598 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.536 3.541 2.068 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -9.295 1.237 1.872 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -10.461 2.144 2.815 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -10.368 -0.107 -0.259 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -14.146 1.812 -0.328 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -12.737 -0.046 -1.340 1.00 0.00 H new ATOM 583 N TYR A 40 -7.575 2.781 -0.150 1.00 0.00 N ATOM 584 CA TYR A 40 -7.029 2.457 -1.458 1.00 0.00 C ATOM 585 C TYR A 40 -6.608 0.994 -1.493 1.00 0.00 C ATOM 586 O TYR A 40 -5.989 0.490 -0.550 1.00 0.00 O ATOM 587 CB TYR A 40 -5.859 3.380 -1.850 1.00 0.00 C ATOM 588 CG TYR A 40 -4.548 3.118 -1.140 1.00 0.00 C ATOM 589 CD1 TYR A 40 -3.645 2.179 -1.631 1.00 0.00 C ATOM 590 CD2 TYR A 40 -4.204 3.820 0.006 1.00 0.00 C ATOM 591 CE1 TYR A 40 -2.443 1.941 -0.999 1.00 0.00 C ATOM 592 CE2 TYR A 40 -3.000 3.593 0.643 1.00 0.00 C ATOM 593 CZ TYR A 40 -2.125 2.651 0.140 1.00 0.00 C ATOM 594 OH TYR A 40 -0.932 2.419 0.779 1.00 0.00 O ATOM 0 H TYR A 40 -6.925 2.664 0.628 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.813 2.622 -2.197 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -5.694 3.290 -2.924 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -6.155 4.412 -1.659 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -3.891 1.626 -2.525 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -4.888 4.554 0.406 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -1.757 1.205 -1.392 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -2.744 4.151 1.532 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.862 3.002 1.564 1.00 0.00 H new ATOM 604 N ILE A 41 -6.978 0.315 -2.560 1.00 0.00 N ATOM 605 CA ILE A 41 -6.653 -1.089 -2.725 1.00 0.00 C ATOM 606 C ILE A 41 -5.490 -1.237 -3.691 1.00 0.00 C ATOM 607 O ILE A 41 -5.647 -1.039 -4.897 1.00 0.00 O ATOM 608 CB ILE A 41 -7.862 -1.884 -3.264 1.00 0.00 C ATOM 609 CG1 ILE A 41 -9.094 -1.638 -2.390 1.00 0.00 C ATOM 610 CG2 ILE A 41 -7.539 -3.373 -3.330 1.00 0.00 C ATOM 611 CD1 ILE A 41 -10.370 -2.232 -2.950 1.00 0.00 C ATOM 0 H ILE A 41 -7.509 0.717 -3.333 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.382 -1.488 -1.747 1.00 0.00 H new ATOM 0 HB ILE A 41 -8.081 -1.538 -4.274 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -8.914 -2.056 -1.399 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -9.229 -0.564 -2.263 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -8.403 -3.916 -3.712 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.688 -3.532 -3.993 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.294 -3.737 -2.332 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -11.198 -2.016 -2.275 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -10.575 -1.797 -3.928 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -10.255 -3.311 -3.050 1.00 0.00 H new ATOM 623 N TYR A 42 -4.318 -1.552 -3.165 1.00 0.00 N ATOM 624 CA TYR A 42 -3.147 -1.720 -4.003 1.00 0.00 C ATOM 625 C TYR A 42 -2.965 -3.200 -4.327 1.00 0.00 C ATOM 626 O TYR A 42 -2.813 -4.028 -3.430 1.00 0.00 O ATOM 627 CB TYR A 42 -1.911 -1.155 -3.288 1.00 0.00 C ATOM 628 CG TYR A 42 -0.724 -0.848 -4.192 1.00 0.00 C ATOM 629 CD1 TYR A 42 -0.316 -1.735 -5.187 1.00 0.00 C ATOM 630 CD2 TYR A 42 0.002 0.326 -4.031 1.00 0.00 C ATOM 631 CE1 TYR A 42 0.769 -1.455 -5.993 1.00 0.00 C ATOM 632 CE2 TYR A 42 1.093 0.611 -4.833 1.00 0.00 C ATOM 633 CZ TYR A 42 1.473 -0.285 -5.811 1.00 0.00 C ATOM 634 OH TYR A 42 2.558 -0.008 -6.610 1.00 0.00 O ATOM 0 H TYR A 42 -4.154 -1.695 -2.168 1.00 0.00 H new ATOM 0 HA TYR A 42 -3.278 -1.174 -4.937 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -2.198 -0.241 -2.768 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -1.593 -1.868 -2.527 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -0.859 -2.658 -5.330 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -0.291 1.029 -3.265 1.00 0.00 H new ATOM 0 HE1 TYR A 42 1.065 -2.151 -6.764 1.00 0.00 H new ATOM 0 HE2 TYR A 42 1.644 1.530 -4.694 1.00 0.00 H new ATOM 0 HH TYR A 42 2.942 0.856 -6.352 1.00 0.00 H new ATOM 644 N TYR A 43 -3.018 -3.539 -5.607 1.00 0.00 N ATOM 645 CA TYR A 43 -2.776 -4.908 -6.031 1.00 0.00 C ATOM 646 C TYR A 43 -1.308 -5.075 -6.382 1.00 0.00 C ATOM 647 O TYR A 43 -0.856 -4.608 -7.426 1.00 0.00 O ATOM 648 CB TYR A 43 -3.653 -5.278 -7.229 1.00 0.00 C ATOM 649 CG TYR A 43 -5.137 -5.230 -6.934 1.00 0.00 C ATOM 650 CD1 TYR A 43 -5.785 -6.309 -6.343 1.00 0.00 C ATOM 651 CD2 TYR A 43 -5.891 -4.108 -7.250 1.00 0.00 C ATOM 652 CE1 TYR A 43 -7.142 -6.269 -6.079 1.00 0.00 C ATOM 653 CE2 TYR A 43 -7.246 -4.062 -6.987 1.00 0.00 C ATOM 654 CZ TYR A 43 -7.867 -5.143 -6.404 1.00 0.00 C ATOM 655 OH TYR A 43 -9.217 -5.094 -6.147 1.00 0.00 O ATOM 0 H TYR A 43 -3.225 -2.889 -6.365 1.00 0.00 H new ATOM 0 HA TYR A 43 -3.034 -5.578 -5.211 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -3.433 -4.599 -8.053 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -3.390 -6.281 -7.564 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -5.220 -7.193 -6.086 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -5.410 -3.257 -7.709 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -7.631 -7.116 -5.621 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -7.817 -3.180 -7.238 1.00 0.00 H new ATOM 0 HH TYR A 43 -9.574 -4.229 -6.437 1.00 0.00 H new ATOM 665 N LEU A 44 -0.572 -5.731 -5.494 1.00 0.00 N ATOM 666 CA LEU A 44 0.878 -5.844 -5.614 1.00 0.00 C ATOM 667 C LEU A 44 1.316 -6.481 -6.928 1.00 0.00 C ATOM 668 O LEU A 44 2.199 -5.957 -7.604 1.00 0.00 O ATOM 669 CB LEU A 44 1.438 -6.625 -4.425 1.00 0.00 C ATOM 670 CG LEU A 44 1.805 -5.757 -3.221 1.00 0.00 C ATOM 671 CD1 LEU A 44 1.917 -6.585 -1.957 1.00 0.00 C ATOM 672 CD2 LEU A 44 3.112 -5.031 -3.479 1.00 0.00 C ATOM 0 H LEU A 44 -0.960 -6.198 -4.674 1.00 0.00 H new ATOM 0 HA LEU A 44 1.282 -4.832 -5.612 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.703 -7.367 -4.113 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.324 -7.171 -4.748 1.00 0.00 H new ATOM 0 HG LEU A 44 1.007 -5.028 -3.080 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.179 -5.938 -1.120 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.963 -7.071 -1.755 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.690 -7.343 -2.086 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.363 -4.416 -2.615 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.905 -5.759 -3.649 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.008 -4.396 -4.359 1.00 0.00 H new ATOM 684 N ALA A 45 0.689 -7.593 -7.294 1.00 0.00 N ATOM 685 CA ALA A 45 1.078 -8.323 -8.497 1.00 0.00 C ATOM 686 C ALA A 45 0.667 -7.583 -9.766 1.00 0.00 C ATOM 687 O ALA A 45 1.360 -7.644 -10.774 1.00 0.00 O ATOM 688 CB ALA A 45 0.483 -9.723 -8.488 1.00 0.00 C ATOM 0 H ALA A 45 -0.087 -8.008 -6.779 1.00 0.00 H new ATOM 0 HA ALA A 45 2.165 -8.399 -8.495 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.784 -10.252 -9.392 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.843 -10.266 -7.614 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.604 -9.656 -8.452 1.00 0.00 H new ATOM 694 N THR A 46 -0.450 -6.875 -9.708 1.00 0.00 N ATOM 695 CA THR A 46 -0.976 -6.196 -10.884 1.00 0.00 C ATOM 696 C THR A 46 -0.382 -4.791 -11.036 1.00 0.00 C ATOM 697 O THR A 46 -0.486 -4.174 -12.094 1.00 0.00 O ATOM 698 CB THR A 46 -2.513 -6.095 -10.805 1.00 0.00 C ATOM 699 OG1 THR A 46 -3.058 -7.326 -10.306 1.00 0.00 O ATOM 700 CG2 THR A 46 -3.115 -5.797 -12.172 1.00 0.00 C ATOM 0 H THR A 46 -1.009 -6.755 -8.863 1.00 0.00 H new ATOM 0 HA THR A 46 -0.692 -6.787 -11.755 1.00 0.00 H new ATOM 0 HB THR A 46 -2.762 -5.277 -10.129 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.034 -7.255 -10.256 1.00 0.00 H new ATOM 0 HG21 THR A 46 -4.200 -5.731 -12.085 1.00 0.00 H new ATOM 0 HG22 THR A 46 -2.723 -4.850 -12.544 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.854 -6.596 -12.866 1.00 0.00 H new ATOM 708 N GLU A 47 0.230 -4.298 -9.959 1.00 0.00 N ATOM 709 CA GLU A 47 0.809 -2.951 -9.917 1.00 0.00 C ATOM 710 C GLU A 47 -0.255 -1.874 -10.128 1.00 0.00 C ATOM 711 O GLU A 47 0.062 -0.733 -10.456 1.00 0.00 O ATOM 712 CB GLU A 47 1.930 -2.782 -10.947 1.00 0.00 C ATOM 713 CG GLU A 47 3.115 -3.699 -10.715 1.00 0.00 C ATOM 714 CD GLU A 47 4.404 -3.127 -11.265 1.00 0.00 C ATOM 715 OE1 GLU A 47 4.673 -3.296 -12.470 1.00 0.00 O ATOM 716 OE2 GLU A 47 5.149 -2.498 -10.486 1.00 0.00 O ATOM 0 H GLU A 47 0.339 -4.820 -9.090 1.00 0.00 H new ATOM 0 HA GLU A 47 1.235 -2.828 -8.921 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.527 -2.968 -11.943 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.274 -1.748 -10.930 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.228 -3.879 -9.646 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.921 -4.664 -11.182 1.00 0.00 H new ATOM 723 N ASN A 48 -1.510 -2.235 -9.909 1.00 0.00 N ATOM 724 CA ASN A 48 -2.616 -1.306 -10.092 1.00 0.00 C ATOM 725 C ASN A 48 -3.219 -0.928 -8.752 1.00 0.00 C ATOM 726 O ASN A 48 -3.472 -1.790 -7.907 1.00 0.00 O ATOM 727 CB ASN A 48 -3.685 -1.906 -11.011 1.00 0.00 C ATOM 728 CG ASN A 48 -3.429 -1.614 -12.479 1.00 0.00 C ATOM 729 OD1 ASN A 48 -3.949 -0.643 -13.031 1.00 0.00 O ATOM 730 ND2 ASN A 48 -2.613 -2.432 -13.121 1.00 0.00 N ATOM 0 H ASN A 48 -1.789 -3.167 -9.603 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.228 -0.404 -10.565 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -3.723 -2.985 -10.861 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.662 -1.511 -10.731 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -2.397 -2.268 -14.104 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.200 -3.227 -12.633 1.00 0.00 H new ATOM 737 N VAL A 49 -3.436 0.359 -8.556 1.00 0.00 N ATOM 738 CA VAL A 49 -3.944 0.866 -7.292 1.00 0.00 C ATOM 739 C VAL A 49 -5.337 1.449 -7.478 1.00 0.00 C ATOM 740 O VAL A 49 -5.528 2.355 -8.284 1.00 0.00 O ATOM 741 CB VAL A 49 -3.025 1.960 -6.710 1.00 0.00 C ATOM 742 CG1 VAL A 49 -3.321 2.171 -5.236 1.00 0.00 C ATOM 743 CG2 VAL A 49 -1.560 1.612 -6.925 1.00 0.00 C ATOM 0 H VAL A 49 -3.268 1.078 -9.260 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.977 0.026 -6.598 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.226 2.892 -7.238 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.664 2.946 -4.840 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.360 2.478 -5.114 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.152 1.241 -4.694 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.934 2.399 -6.506 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.334 0.667 -6.431 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.361 1.520 -7.993 1.00 0.00 H new ATOM 753 N HIS A 50 -6.306 0.922 -6.745 1.00 0.00 N ATOM 754 CA HIS A 50 -7.673 1.425 -6.809 1.00 0.00 C ATOM 755 C HIS A 50 -7.967 2.300 -5.594 1.00 0.00 C ATOM 756 O HIS A 50 -8.236 1.795 -4.503 1.00 0.00 O ATOM 757 CB HIS A 50 -8.680 0.271 -6.882 1.00 0.00 C ATOM 758 CG HIS A 50 -8.639 -0.496 -8.169 1.00 0.00 C ATOM 759 ND1 HIS A 50 -9.710 -0.585 -9.029 1.00 0.00 N ATOM 760 CD2 HIS A 50 -7.651 -1.232 -8.732 1.00 0.00 C ATOM 761 CE1 HIS A 50 -9.385 -1.340 -10.060 1.00 0.00 C ATOM 762 NE2 HIS A 50 -8.140 -1.748 -9.904 1.00 0.00 N ATOM 0 H HIS A 50 -6.172 0.145 -6.098 1.00 0.00 H new ATOM 0 HA HIS A 50 -7.774 2.024 -7.714 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -8.491 -0.415 -6.056 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -9.685 0.670 -6.741 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -6.660 -1.384 -8.331 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -10.029 -1.583 -10.892 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -7.626 -2.348 -10.549 1.00 0.00 H new ATOM 771 N ILE A 51 -7.885 3.608 -5.779 1.00 0.00 N ATOM 772 CA ILE A 51 -8.127 4.547 -4.695 1.00 0.00 C ATOM 773 C ILE A 51 -9.583 4.996 -4.707 1.00 0.00 C ATOM 774 O ILE A 51 -9.973 5.829 -5.524 1.00 0.00 O ATOM 775 CB ILE A 51 -7.222 5.804 -4.783 1.00 0.00 C ATOM 776 CG1 ILE A 51 -5.733 5.438 -4.780 1.00 0.00 C ATOM 777 CG2 ILE A 51 -7.520 6.752 -3.633 1.00 0.00 C ATOM 778 CD1 ILE A 51 -5.194 5.029 -6.134 1.00 0.00 C ATOM 0 H ILE A 51 -7.652 4.044 -6.671 1.00 0.00 H new ATOM 0 HA ILE A 51 -7.892 4.022 -3.769 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.444 6.297 -5.729 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.161 6.291 -4.416 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.572 4.622 -4.075 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.877 7.629 -3.709 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.564 7.062 -3.678 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.333 6.246 -2.686 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -4.135 4.786 -6.046 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.738 4.155 -6.493 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.320 5.850 -6.839 1.00 0.00 H new ATOM 790 N VAL A 52 -10.386 4.432 -3.819 1.00 0.00 N ATOM 791 CA VAL A 52 -11.784 4.817 -3.726 1.00 0.00 C ATOM 792 C VAL A 52 -11.933 5.982 -2.761 1.00 0.00 C ATOM 793 O VAL A 52 -11.799 5.820 -1.548 1.00 0.00 O ATOM 794 CB VAL A 52 -12.680 3.650 -3.261 1.00 0.00 C ATOM 795 CG1 VAL A 52 -14.152 4.041 -3.352 1.00 0.00 C ATOM 796 CG2 VAL A 52 -12.404 2.400 -4.082 1.00 0.00 C ATOM 0 H VAL A 52 -10.096 3.712 -3.157 1.00 0.00 H new ATOM 0 HA VAL A 52 -12.109 5.109 -4.725 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.446 3.430 -2.220 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -14.771 3.207 -3.021 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -14.339 4.907 -2.716 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -14.399 4.289 -4.384 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -13.046 1.589 -3.738 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -12.608 2.603 -5.133 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -11.360 2.111 -3.964 1.00 0.00 H new ATOM 806 N LEU A 53 -12.190 7.158 -3.310 1.00 0.00 N ATOM 807 CA LEU A 53 -12.303 8.368 -2.513 1.00 0.00 C ATOM 808 C LEU A 53 -13.613 8.390 -1.742 1.00 0.00 C ATOM 809 O LEU A 53 -14.533 7.628 -2.035 1.00 0.00 O ATOM 810 CB LEU A 53 -12.226 9.597 -3.416 1.00 0.00 C ATOM 811 CG LEU A 53 -10.999 9.657 -4.323 1.00 0.00 C ATOM 812 CD1 LEU A 53 -11.079 10.856 -5.248 1.00 0.00 C ATOM 813 CD2 LEU A 53 -9.729 9.708 -3.496 1.00 0.00 C ATOM 0 H LEU A 53 -12.325 7.300 -4.311 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.478 8.383 -1.801 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -13.121 9.629 -4.038 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -12.241 10.490 -2.791 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.977 8.753 -4.932 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -10.196 10.882 -5.887 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -11.973 10.779 -5.867 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -11.126 11.770 -4.656 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -8.865 9.750 -4.159 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -9.743 10.594 -2.861 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -9.665 8.816 -2.873 1.00 0.00 H new ATOM 825 N LYS A 54 -13.703 9.296 -0.776 1.00 0.00 N ATOM 826 CA LYS A 54 -14.926 9.473 0.002 1.00 0.00 C ATOM 827 C LYS A 54 -16.058 9.952 -0.904 1.00 0.00 C ATOM 828 O LYS A 54 -17.239 9.767 -0.603 1.00 0.00 O ATOM 829 CB LYS A 54 -14.704 10.480 1.136 1.00 0.00 C ATOM 830 CG LYS A 54 -14.317 11.868 0.649 1.00 0.00 C ATOM 831 CD LYS A 54 -14.285 12.873 1.788 1.00 0.00 C ATOM 832 CE LYS A 54 -13.981 14.281 1.294 1.00 0.00 C ATOM 833 NZ LYS A 54 -12.600 14.407 0.756 1.00 0.00 N ATOM 0 H LYS A 54 -12.942 9.922 -0.511 1.00 0.00 H new ATOM 0 HA LYS A 54 -15.199 8.512 0.439 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -15.615 10.553 1.730 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -13.922 10.105 1.797 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -13.338 11.827 0.172 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -15.027 12.199 -0.109 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -15.245 12.868 2.303 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -13.531 12.573 2.516 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -14.697 14.553 0.518 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -14.115 14.987 2.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -12.424 15.394 0.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -11.916 14.125 1.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -12.494 13.791 -0.075 1.00 0.00 H new ATOM 847 N ASN A 55 -15.677 10.549 -2.026 1.00 0.00 N ATOM 848 CA ASN A 55 -16.637 11.071 -2.988 1.00 0.00 C ATOM 849 C ASN A 55 -16.936 10.021 -4.062 1.00 0.00 C ATOM 850 O ASN A 55 -17.342 10.355 -5.172 1.00 0.00 O ATOM 851 CB ASN A 55 -16.088 12.355 -3.624 1.00 0.00 C ATOM 852 CG ASN A 55 -17.143 13.131 -4.393 1.00 0.00 C ATOM 853 OD1 ASN A 55 -18.329 13.099 -4.057 1.00 0.00 O ATOM 854 ND2 ASN A 55 -16.717 13.844 -5.424 1.00 0.00 N ATOM 0 H ASN A 55 -14.702 10.684 -2.293 1.00 0.00 H new ATOM 0 HA ASN A 55 -17.568 11.306 -2.473 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -15.672 12.992 -2.843 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -15.269 12.100 -4.297 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -17.379 14.393 -5.972 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -15.727 13.844 -5.670 1.00 0.00 H new ATOM 861 N ASP A 56 -16.702 8.749 -3.714 1.00 0.00 N ATOM 862 CA ASP A 56 -17.046 7.600 -4.571 1.00 0.00 C ATOM 863 C ASP A 56 -16.064 7.414 -5.730 1.00 0.00 C ATOM 864 O ASP A 56 -15.750 6.279 -6.102 1.00 0.00 O ATOM 865 CB ASP A 56 -18.478 7.721 -5.107 1.00 0.00 C ATOM 866 CG ASP A 56 -18.771 6.734 -6.220 1.00 0.00 C ATOM 867 OD1 ASP A 56 -19.019 5.548 -5.921 1.00 0.00 O ATOM 868 OD2 ASP A 56 -18.765 7.146 -7.401 1.00 0.00 O ATOM 0 H ASP A 56 -16.268 8.484 -2.830 1.00 0.00 H new ATOM 0 HA ASP A 56 -16.976 6.714 -3.939 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -19.182 7.561 -4.290 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -18.640 8.735 -5.474 1.00 0.00 H new ATOM 873 N ASN A 57 -15.586 8.517 -6.290 1.00 0.00 N ATOM 874 CA ASN A 57 -14.678 8.473 -7.431 1.00 0.00 C ATOM 875 C ASN A 57 -13.455 7.619 -7.121 1.00 0.00 C ATOM 876 O ASN A 57 -12.781 7.819 -6.111 1.00 0.00 O ATOM 877 CB ASN A 57 -14.249 9.889 -7.824 1.00 0.00 C ATOM 878 CG ASN A 57 -13.293 9.908 -9.006 1.00 0.00 C ATOM 879 OD1 ASN A 57 -13.716 9.914 -10.161 1.00 0.00 O ATOM 880 ND2 ASN A 57 -11.999 9.939 -8.725 1.00 0.00 N ATOM 0 H ASN A 57 -15.813 9.459 -5.971 1.00 0.00 H new ATOM 0 HA ASN A 57 -15.207 8.019 -8.269 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -15.134 10.477 -8.068 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -13.773 10.370 -6.970 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -11.314 9.969 -9.480 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -11.688 9.933 -7.754 1.00 0.00 H new ATOM 887 N THR A 58 -13.187 6.656 -7.985 1.00 0.00 N ATOM 888 CA THR A 58 -12.068 5.755 -7.799 1.00 0.00 C ATOM 889 C THR A 58 -10.940 6.086 -8.771 1.00 0.00 C ATOM 890 O THR A 58 -11.136 6.100 -9.987 1.00 0.00 O ATOM 891 CB THR A 58 -12.512 4.293 -7.988 1.00 0.00 C ATOM 892 OG1 THR A 58 -13.636 4.017 -7.140 1.00 0.00 O ATOM 893 CG2 THR A 58 -11.380 3.331 -7.657 1.00 0.00 C ATOM 0 H THR A 58 -13.734 6.479 -8.827 1.00 0.00 H new ATOM 0 HA THR A 58 -11.700 5.882 -6.781 1.00 0.00 H new ATOM 0 HB THR A 58 -12.791 4.153 -9.032 1.00 0.00 H new ATOM 0 HG1 THR A 58 -13.918 3.087 -7.263 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.721 2.305 -7.799 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.533 3.526 -8.314 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.075 3.472 -6.620 1.00 0.00 H new ATOM 901 N VAL A 59 -9.770 6.373 -8.224 1.00 0.00 N ATOM 902 CA VAL A 59 -8.595 6.660 -9.029 1.00 0.00 C ATOM 903 C VAL A 59 -7.783 5.383 -9.225 1.00 0.00 C ATOM 904 O VAL A 59 -7.550 4.639 -8.274 1.00 0.00 O ATOM 905 CB VAL A 59 -7.710 7.740 -8.366 1.00 0.00 C ATOM 906 CG1 VAL A 59 -6.551 8.121 -9.271 1.00 0.00 C ATOM 907 CG2 VAL A 59 -8.537 8.967 -8.012 1.00 0.00 C ATOM 0 H VAL A 59 -9.609 6.413 -7.218 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.929 7.039 -9.995 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.300 7.323 -7.446 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.943 8.882 -8.782 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -5.940 7.241 -9.470 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.938 8.514 -10.211 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -7.896 9.716 -7.546 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -8.980 9.381 -8.918 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.328 8.684 -7.318 1.00 0.00 H new ATOM 917 N LEU A 60 -7.377 5.121 -10.457 1.00 0.00 N ATOM 918 CA LEU A 60 -6.615 3.921 -10.769 1.00 0.00 C ATOM 919 C LEU A 60 -5.193 4.276 -11.184 1.00 0.00 C ATOM 920 O LEU A 60 -4.971 4.828 -12.261 1.00 0.00 O ATOM 921 CB LEU A 60 -7.308 3.133 -11.882 1.00 0.00 C ATOM 922 CG LEU A 60 -6.574 1.874 -12.348 1.00 0.00 C ATOM 923 CD1 LEU A 60 -6.361 0.913 -11.190 1.00 0.00 C ATOM 924 CD2 LEU A 60 -7.348 1.194 -13.463 1.00 0.00 C ATOM 0 H LEU A 60 -7.562 5.724 -11.259 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.566 3.302 -9.873 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.302 2.847 -11.537 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.445 3.792 -12.740 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.597 2.170 -12.730 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.837 0.025 -11.545 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.766 1.400 -10.417 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.327 0.623 -10.776 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.814 0.300 -13.784 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.338 0.915 -13.101 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.449 1.878 -14.305 1.00 0.00 H new ATOM 936 N LEU A 61 -4.235 3.963 -10.323 1.00 0.00 N ATOM 937 CA LEU A 61 -2.836 4.239 -10.620 1.00 0.00 C ATOM 938 C LEU A 61 -2.146 2.991 -11.134 1.00 0.00 C ATOM 939 O LEU A 61 -2.596 1.870 -10.883 1.00 0.00 O ATOM 940 CB LEU A 61 -2.087 4.737 -9.383 1.00 0.00 C ATOM 941 CG LEU A 61 -2.788 5.835 -8.586 1.00 0.00 C ATOM 942 CD1 LEU A 61 -1.944 6.248 -7.392 1.00 0.00 C ATOM 943 CD2 LEU A 61 -3.076 7.034 -9.475 1.00 0.00 C ATOM 0 H LEU A 61 -4.399 3.521 -9.419 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.818 5.017 -11.383 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.910 3.889 -8.721 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.110 5.107 -9.696 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.736 5.443 -8.217 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.459 7.031 -6.836 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.785 5.387 -6.743 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.981 6.623 -7.739 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.576 7.808 -8.892 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.139 7.426 -9.871 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.720 6.729 -10.300 1.00 0.00 H new ATOM 955 N LYS A 62 -1.051 3.196 -11.842 1.00 0.00 N ATOM 956 CA LYS A 62 -0.244 2.102 -12.345 1.00 0.00 C ATOM 957 C LYS A 62 1.200 2.270 -11.887 1.00 0.00 C ATOM 958 O LYS A 62 1.798 3.332 -12.061 1.00 0.00 O ATOM 959 CB LYS A 62 -0.316 2.043 -13.877 1.00 0.00 C ATOM 960 CG LYS A 62 0.122 3.333 -14.562 1.00 0.00 C ATOM 961 CD LYS A 62 0.071 3.235 -16.082 1.00 0.00 C ATOM 962 CE LYS A 62 -1.336 3.445 -16.635 1.00 0.00 C ATOM 963 NZ LYS A 62 -2.268 2.341 -16.278 1.00 0.00 N ATOM 0 H LYS A 62 -0.698 4.122 -12.083 1.00 0.00 H new ATOM 0 HA LYS A 62 -0.634 1.165 -11.947 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.311 1.224 -14.230 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.339 1.813 -14.175 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.519 4.151 -14.232 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.137 3.579 -14.251 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.742 3.978 -16.513 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.437 2.256 -16.392 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.733 4.386 -16.256 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.285 3.534 -17.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.985 2.237 -17.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.735 1.453 -16.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.736 2.560 -15.376 1.00 0.00 H new ATOM 977 N GLY A 63 1.730 1.237 -11.253 1.00 0.00 N ATOM 978 CA GLY A 63 3.132 1.227 -10.884 1.00 0.00 C ATOM 979 C GLY A 63 4.038 1.230 -12.101 1.00 0.00 C ATOM 980 O GLY A 63 4.494 2.286 -12.543 1.00 0.00 O ATOM 0 H GLY A 63 1.212 0.400 -10.985 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.351 2.098 -10.266 1.00 0.00 H new ATOM 0 HA3 GLY A 63 3.341 0.346 -10.278 1.00 0.00 H new ATOM 984 N LEU A 64 4.296 0.052 -12.650 1.00 0.00 N ATOM 985 CA LEU A 64 5.115 -0.060 -13.847 1.00 0.00 C ATOM 986 C LEU A 64 4.364 -0.783 -14.960 1.00 0.00 C ATOM 987 O LEU A 64 4.143 -0.218 -16.031 1.00 0.00 O ATOM 988 CB LEU A 64 6.433 -0.777 -13.541 1.00 0.00 C ATOM 989 CG LEU A 64 7.393 -0.015 -12.627 1.00 0.00 C ATOM 990 CD1 LEU A 64 8.627 -0.850 -12.335 1.00 0.00 C ATOM 991 CD2 LEU A 64 7.793 1.312 -13.259 1.00 0.00 C ATOM 0 H LEU A 64 3.951 -0.837 -12.287 1.00 0.00 H new ATOM 0 HA LEU A 64 5.342 0.950 -14.189 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.206 -1.739 -13.082 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.942 -0.985 -14.482 1.00 0.00 H new ATOM 0 HG LEU A 64 6.880 0.188 -11.687 1.00 0.00 H new ATOM 0 HD11 LEU A 64 9.299 -0.291 -11.683 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.331 -1.777 -11.843 1.00 0.00 H new ATOM 0 HD13 LEU A 64 9.138 -1.083 -13.269 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.476 1.840 -12.594 1.00 0.00 H new ATOM 0 HD22 LEU A 64 8.286 1.127 -14.213 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.903 1.920 -13.422 1.00 0.00 H new ATOM 1003 N LYS A 65 3.974 -2.028 -14.709 1.00 0.00 N ATOM 1004 CA LYS A 65 3.294 -2.833 -15.722 1.00 0.00 C ATOM 1005 C LYS A 65 2.548 -4.011 -15.094 1.00 0.00 C ATOM 1006 O LYS A 65 1.348 -4.182 -15.315 1.00 0.00 O ATOM 1007 CB LYS A 65 4.308 -3.344 -16.757 1.00 0.00 C ATOM 1008 CG LYS A 65 5.504 -4.056 -16.139 1.00 0.00 C ATOM 1009 CD LYS A 65 6.472 -4.572 -17.186 1.00 0.00 C ATOM 1010 CE LYS A 65 7.670 -5.254 -16.540 1.00 0.00 C ATOM 1011 NZ LYS A 65 8.370 -4.355 -15.585 1.00 0.00 N ATOM 0 H LYS A 65 4.115 -2.502 -13.817 1.00 0.00 H new ATOM 0 HA LYS A 65 2.560 -2.197 -16.217 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.804 -4.026 -17.441 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.664 -2.502 -17.351 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.026 -3.371 -15.471 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.153 -4.889 -15.530 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.960 -5.275 -17.843 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.813 -3.745 -17.809 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.339 -6.152 -16.018 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.367 -5.574 -17.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.313 -4.739 -15.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.468 -3.409 -16.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.819 -4.286 -14.705 1.00 0.00 H new ATOM 1025 N ASN A 66 3.278 -4.800 -14.310 1.00 0.00 N ATOM 1026 CA ASN A 66 2.783 -6.032 -13.707 1.00 0.00 C ATOM 1027 C ASN A 66 3.968 -6.789 -13.129 1.00 0.00 C ATOM 1028 O ASN A 66 4.984 -6.963 -13.806 1.00 0.00 O ATOM 1029 CB ASN A 66 2.067 -6.920 -14.740 1.00 0.00 C ATOM 1030 CG ASN A 66 1.538 -8.210 -14.136 1.00 0.00 C ATOM 1031 OD1 ASN A 66 0.412 -8.260 -13.641 1.00 0.00 O ATOM 1032 ND2 ASN A 66 2.336 -9.265 -14.186 1.00 0.00 N ATOM 0 H ASN A 66 4.249 -4.596 -14.072 1.00 0.00 H new ATOM 0 HA ASN A 66 2.062 -5.778 -12.930 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.240 -6.364 -15.180 1.00 0.00 H new ATOM 0 HB3 ASN A 66 2.757 -7.158 -15.549 1.00 0.00 H new ATOM 0 HD21 ASN A 66 2.024 -10.159 -13.806 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.263 -9.184 -14.604 1.00 0.00 H new ATOM 1039 N ILE A 67 3.855 -7.234 -11.894 1.00 0.00 N ATOM 1040 CA ILE A 67 4.945 -7.952 -11.266 1.00 0.00 C ATOM 1041 C ILE A 67 4.429 -9.220 -10.576 1.00 0.00 C ATOM 1042 O ILE A 67 3.937 -9.199 -9.447 1.00 0.00 O ATOM 1043 CB ILE A 67 5.744 -7.045 -10.288 1.00 0.00 C ATOM 1044 CG1 ILE A 67 6.965 -7.783 -9.740 1.00 0.00 C ATOM 1045 CG2 ILE A 67 4.872 -6.519 -9.157 1.00 0.00 C ATOM 1046 CD1 ILE A 67 8.004 -8.075 -10.803 1.00 0.00 C ATOM 0 H ILE A 67 3.028 -7.113 -11.310 1.00 0.00 H new ATOM 0 HA ILE A 67 5.641 -8.257 -12.047 1.00 0.00 H new ATOM 0 HB ILE A 67 6.089 -6.181 -10.855 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.419 -7.186 -8.949 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.643 -8.720 -9.286 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.471 -5.890 -8.498 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.052 -5.932 -9.572 1.00 0.00 H new ATOM 0 HG23 ILE A 67 4.467 -7.357 -8.590 1.00 0.00 H new ATOM 0 HD11 ILE A 67 8.847 -8.600 -10.353 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.563 -8.697 -11.582 1.00 0.00 H new ATOM 0 HD13 ILE A 67 8.351 -7.138 -11.240 1.00 0.00 H new ATOM 1058 N VAL A 68 4.534 -10.336 -11.281 1.00 0.00 N ATOM 1059 CA VAL A 68 3.978 -11.602 -10.811 1.00 0.00 C ATOM 1060 C VAL A 68 4.965 -12.334 -9.887 1.00 0.00 C ATOM 1061 O VAL A 68 4.957 -13.560 -9.771 1.00 0.00 O ATOM 1062 CB VAL A 68 3.572 -12.491 -12.015 1.00 0.00 C ATOM 1063 CG1 VAL A 68 4.798 -13.024 -12.752 1.00 0.00 C ATOM 1064 CG2 VAL A 68 2.644 -13.619 -11.582 1.00 0.00 C ATOM 0 H VAL A 68 5.001 -10.394 -12.186 1.00 0.00 H new ATOM 0 HA VAL A 68 3.083 -11.387 -10.226 1.00 0.00 H new ATOM 0 HB VAL A 68 3.019 -11.865 -12.716 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.478 -13.643 -13.590 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.391 -12.188 -13.124 1.00 0.00 H new ATOM 0 HG13 VAL A 68 5.402 -13.622 -12.069 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.378 -14.224 -12.449 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.149 -14.243 -10.845 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.740 -13.198 -11.142 1.00 0.00 H new ATOM 1074 N SER A 69 5.796 -11.562 -9.204 1.00 0.00 N ATOM 1075 CA SER A 69 6.751 -12.117 -8.254 1.00 0.00 C ATOM 1076 C SER A 69 6.077 -12.397 -6.910 1.00 0.00 C ATOM 1077 O SER A 69 6.678 -12.990 -6.013 1.00 0.00 O ATOM 1078 CB SER A 69 7.924 -11.154 -8.072 1.00 0.00 C ATOM 1079 OG SER A 69 8.558 -10.896 -9.312 1.00 0.00 O ATOM 0 H SER A 69 5.829 -10.546 -9.289 1.00 0.00 H new ATOM 0 HA SER A 69 7.126 -13.061 -8.648 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.569 -10.219 -7.638 1.00 0.00 H new ATOM 0 HB3 SER A 69 8.643 -11.578 -7.371 1.00 0.00 H new ATOM 0 HG SER A 69 9.394 -10.409 -9.157 1.00 0.00 H new ATOM 1085 N VAL A 70 4.829 -11.965 -6.783 1.00 0.00 N ATOM 1086 CA VAL A 70 4.053 -12.213 -5.577 1.00 0.00 C ATOM 1087 C VAL A 70 3.699 -13.692 -5.479 1.00 0.00 C ATOM 1088 O VAL A 70 3.012 -14.237 -6.344 1.00 0.00 O ATOM 1089 CB VAL A 70 2.757 -11.370 -5.546 1.00 0.00 C ATOM 1090 CG1 VAL A 70 1.952 -11.656 -4.285 1.00 0.00 C ATOM 1091 CG2 VAL A 70 3.083 -9.888 -5.651 1.00 0.00 C ATOM 0 H VAL A 70 4.332 -11.440 -7.503 1.00 0.00 H new ATOM 0 HA VAL A 70 4.668 -11.921 -4.725 1.00 0.00 H new ATOM 0 HB VAL A 70 2.148 -11.651 -6.405 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.045 -11.051 -4.287 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.683 -12.712 -4.257 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.550 -11.410 -3.408 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.159 -9.310 -5.628 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.716 -9.595 -4.814 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.607 -9.696 -6.587 1.00 0.00 H new ATOM 1101 N LYS A 71 4.186 -14.336 -4.433 1.00 0.00 N ATOM 1102 CA LYS A 71 3.980 -15.763 -4.251 1.00 0.00 C ATOM 1103 C LYS A 71 2.728 -16.020 -3.422 1.00 0.00 C ATOM 1104 O LYS A 71 2.269 -15.146 -2.687 1.00 0.00 O ATOM 1105 CB LYS A 71 5.197 -16.389 -3.562 1.00 0.00 C ATOM 1106 CG LYS A 71 6.503 -16.185 -4.316 1.00 0.00 C ATOM 1107 CD LYS A 71 6.469 -16.856 -5.679 1.00 0.00 C ATOM 1108 CE LYS A 71 7.750 -16.597 -6.454 1.00 0.00 C ATOM 1109 NZ LYS A 71 7.745 -17.273 -7.777 1.00 0.00 N ATOM 0 H LYS A 71 4.729 -13.891 -3.693 1.00 0.00 H new ATOM 0 HA LYS A 71 3.851 -16.220 -5.232 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.295 -15.965 -2.563 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.023 -17.458 -3.439 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.691 -15.118 -4.439 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.329 -16.589 -3.731 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.327 -17.930 -5.555 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.616 -16.486 -6.248 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.878 -15.524 -6.595 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.603 -16.945 -5.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.636 -17.071 -8.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 7.649 -18.300 -7.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.946 -16.922 -8.343 1.00 0.00 H new ATOM 1123 N PHE A 72 2.179 -17.220 -3.542 1.00 0.00 N ATOM 1124 CA PHE A 72 1.031 -17.615 -2.741 1.00 0.00 C ATOM 1125 C PHE A 72 1.501 -18.042 -1.355 1.00 0.00 C ATOM 1126 O PHE A 72 1.587 -19.234 -1.053 1.00 0.00 O ATOM 1127 CB PHE A 72 0.262 -18.757 -3.415 1.00 0.00 C ATOM 1128 CG PHE A 72 -0.156 -18.456 -4.826 1.00 0.00 C ATOM 1129 CD1 PHE A 72 -1.317 -17.748 -5.081 1.00 0.00 C ATOM 1130 CD2 PHE A 72 0.615 -18.881 -5.897 1.00 0.00 C ATOM 1131 CE1 PHE A 72 -1.703 -17.471 -6.378 1.00 0.00 C ATOM 1132 CE2 PHE A 72 0.234 -18.608 -7.196 1.00 0.00 C ATOM 1133 CZ PHE A 72 -0.928 -17.901 -7.437 1.00 0.00 C ATOM 0 H PHE A 72 2.511 -17.937 -4.187 1.00 0.00 H new ATOM 0 HA PHE A 72 0.357 -16.763 -2.649 1.00 0.00 H new ATOM 0 HB2 PHE A 72 0.884 -19.652 -3.413 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -0.625 -18.984 -2.824 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -1.928 -17.408 -4.258 1.00 0.00 H new ATOM 0 HD2 PHE A 72 1.525 -19.433 -5.713 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -2.612 -16.918 -6.564 1.00 0.00 H new ATOM 0 HE2 PHE A 72 0.843 -18.946 -8.021 1.00 0.00 H new ATOM 0 HZ PHE A 72 -1.230 -17.685 -8.451 1.00 0.00 H new ATOM 1143 N SER A 73 1.850 -17.065 -0.535 1.00 0.00 N ATOM 1144 CA SER A 73 2.402 -17.335 0.782 1.00 0.00 C ATOM 1145 C SER A 73 1.521 -16.755 1.884 1.00 0.00 C ATOM 1146 O SER A 73 0.537 -16.065 1.612 1.00 0.00 O ATOM 1147 CB SER A 73 3.819 -16.760 0.879 1.00 0.00 C ATOM 1148 OG SER A 73 4.645 -17.251 -0.166 1.00 0.00 O ATOM 0 H SER A 73 1.760 -16.074 -0.759 1.00 0.00 H new ATOM 0 HA SER A 73 2.439 -18.416 0.920 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.777 -15.672 0.832 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.255 -17.021 1.844 1.00 0.00 H new ATOM 0 HG SER A 73 5.543 -16.867 -0.081 1.00 0.00 H new ATOM 1154 N LYS A 74 1.894 -17.045 3.122 1.00 0.00 N ATOM 1155 CA LYS A 74 1.151 -16.599 4.291 1.00 0.00 C ATOM 1156 C LYS A 74 2.124 -16.166 5.383 1.00 0.00 C ATOM 1157 O LYS A 74 1.870 -16.345 6.577 1.00 0.00 O ATOM 1158 CB LYS A 74 0.250 -17.738 4.783 1.00 0.00 C ATOM 1159 CG LYS A 74 0.996 -19.050 4.970 1.00 0.00 C ATOM 1160 CD LYS A 74 0.054 -20.212 5.222 1.00 0.00 C ATOM 1161 CE LYS A 74 0.811 -21.528 5.232 1.00 0.00 C ATOM 1162 NZ LYS A 74 -0.089 -22.701 5.387 1.00 0.00 N ATOM 0 H LYS A 74 2.722 -17.597 3.344 1.00 0.00 H new ATOM 0 HA LYS A 74 0.525 -15.745 4.031 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -0.207 -17.449 5.729 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.561 -17.886 4.069 1.00 0.00 H new ATOM 0 HG2 LYS A 74 1.595 -19.255 4.083 1.00 0.00 H new ATOM 0 HG3 LYS A 74 1.688 -18.957 5.807 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.455 -20.073 6.176 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -0.716 -20.236 4.450 1.00 0.00 H new ATOM 0 HE2 LYS A 74 1.374 -21.626 4.304 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.536 -21.520 6.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.476 -23.574 5.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.608 -22.624 6.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.765 -22.727 4.597 1.00 0.00 H new ATOM 1176 N ASP A 75 3.232 -15.571 4.958 1.00 0.00 N ATOM 1177 CA ASP A 75 4.307 -15.192 5.866 1.00 0.00 C ATOM 1178 C ASP A 75 3.959 -13.936 6.659 1.00 0.00 C ATOM 1179 O ASP A 75 4.426 -12.840 6.348 1.00 0.00 O ATOM 1180 CB ASP A 75 5.611 -14.968 5.096 1.00 0.00 C ATOM 1181 CG ASP A 75 6.269 -16.253 4.644 1.00 0.00 C ATOM 1182 OD1 ASP A 75 5.822 -16.839 3.638 1.00 0.00 O ATOM 1183 OD2 ASP A 75 7.254 -16.682 5.285 1.00 0.00 O ATOM 0 H ASP A 75 3.410 -15.339 3.981 1.00 0.00 H new ATOM 0 HA ASP A 75 4.439 -16.015 6.569 1.00 0.00 H new ATOM 0 HB2 ASP A 75 5.407 -14.346 4.224 1.00 0.00 H new ATOM 0 HB3 ASP A 75 6.307 -14.414 5.727 1.00 0.00 H new ATOM 1188 N ARG A 76 3.131 -14.100 7.683 1.00 0.00 N ATOM 1189 CA ARG A 76 2.770 -12.994 8.558 1.00 0.00 C ATOM 1190 C ARG A 76 3.987 -12.500 9.328 1.00 0.00 C ATOM 1191 O ARG A 76 4.114 -11.311 9.606 1.00 0.00 O ATOM 1192 CB ARG A 76 1.663 -13.408 9.529 1.00 0.00 C ATOM 1193 CG ARG A 76 0.329 -13.661 8.850 1.00 0.00 C ATOM 1194 CD ARG A 76 -0.760 -13.997 9.858 1.00 0.00 C ATOM 1195 NE ARG A 76 -0.520 -15.264 10.539 1.00 0.00 N ATOM 1196 CZ ARG A 76 -0.853 -15.498 11.808 1.00 0.00 C ATOM 1197 NH1 ARG A 76 -1.440 -14.549 12.532 1.00 0.00 N ATOM 1198 NH2 ARG A 76 -0.606 -16.682 12.349 1.00 0.00 N ATOM 0 H ARG A 76 2.697 -14.990 7.927 1.00 0.00 H new ATOM 0 HA ARG A 76 2.397 -12.180 7.936 1.00 0.00 H new ATOM 0 HB2 ARG A 76 1.971 -14.311 10.056 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.538 -12.628 10.280 1.00 0.00 H new ATOM 0 HG2 ARG A 76 0.038 -12.779 8.280 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.432 -14.481 8.139 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -0.826 -13.198 10.597 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.722 -14.039 9.348 1.00 0.00 H new ATOM 0 HE ARG A 76 -0.071 -16.014 10.014 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -1.637 -13.639 12.116 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.693 -14.732 13.503 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.161 -17.413 11.794 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -0.860 -16.862 13.320 1.00 0.00 H new ATOM 1212 N HIS A 77 4.892 -13.419 9.648 1.00 0.00 N ATOM 1213 CA HIS A 77 6.122 -13.067 10.343 1.00 0.00 C ATOM 1214 C HIS A 77 7.003 -12.197 9.457 1.00 0.00 C ATOM 1215 O HIS A 77 7.718 -11.319 9.944 1.00 0.00 O ATOM 1216 CB HIS A 77 6.889 -14.320 10.776 1.00 0.00 C ATOM 1217 CG HIS A 77 6.223 -15.084 11.880 1.00 0.00 C ATOM 1218 ND1 HIS A 77 5.532 -16.255 11.671 1.00 0.00 N ATOM 1219 CD2 HIS A 77 6.155 -14.842 13.208 1.00 0.00 C ATOM 1220 CE1 HIS A 77 5.067 -16.701 12.821 1.00 0.00 C ATOM 1221 NE2 HIS A 77 5.431 -15.862 13.771 1.00 0.00 N ATOM 0 H HIS A 77 4.796 -14.412 9.437 1.00 0.00 H new ATOM 0 HA HIS A 77 5.852 -12.505 11.237 1.00 0.00 H new ATOM 0 HB2 HIS A 77 7.011 -14.976 9.914 1.00 0.00 H new ATOM 0 HB3 HIS A 77 7.889 -14.029 11.099 1.00 0.00 H new ATOM 0 HD2 HIS A 77 6.590 -14.002 13.729 1.00 0.00 H new ATOM 0 HE1 HIS A 77 4.486 -17.601 12.961 1.00 0.00 H new ATOM 0 HE2 HIS A 77 5.210 -15.956 14.762 1.00 0.00 H new ATOM 1230 N LEU A 78 6.944 -12.433 8.149 1.00 0.00 N ATOM 1231 CA LEU A 78 7.697 -11.622 7.203 1.00 0.00 C ATOM 1232 C LEU A 78 7.069 -10.239 7.096 1.00 0.00 C ATOM 1233 O LEU A 78 7.771 -9.236 6.986 1.00 0.00 O ATOM 1234 CB LEU A 78 7.759 -12.298 5.831 1.00 0.00 C ATOM 1235 CG LEU A 78 8.642 -11.593 4.794 1.00 0.00 C ATOM 1236 CD1 LEU A 78 10.070 -11.470 5.301 1.00 0.00 C ATOM 1237 CD2 LEU A 78 8.613 -12.345 3.474 1.00 0.00 C ATOM 0 H LEU A 78 6.386 -13.174 7.725 1.00 0.00 H new ATOM 0 HA LEU A 78 8.719 -11.518 7.567 1.00 0.00 H new ATOM 0 HB2 LEU A 78 8.123 -13.317 5.962 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.747 -12.370 5.433 1.00 0.00 H new ATOM 0 HG LEU A 78 8.247 -10.590 4.632 1.00 0.00 H new ATOM 0 HD11 LEU A 78 10.680 -10.967 4.551 1.00 0.00 H new ATOM 0 HD12 LEU A 78 10.080 -10.891 6.224 1.00 0.00 H new ATOM 0 HD13 LEU A 78 10.475 -12.464 5.492 1.00 0.00 H new ATOM 0 HD21 LEU A 78 9.245 -11.832 2.749 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.984 -13.359 3.625 1.00 0.00 H new ATOM 0 HD23 LEU A 78 7.590 -12.385 3.100 1.00 0.00 H new ATOM 1249 N ILE A 79 5.738 -10.188 7.153 1.00 0.00 N ATOM 1250 CA ILE A 79 5.020 -8.919 7.171 1.00 0.00 C ATOM 1251 C ILE A 79 5.438 -8.099 8.392 1.00 0.00 C ATOM 1252 O ILE A 79 5.769 -6.916 8.274 1.00 0.00 O ATOM 1253 CB ILE A 79 3.491 -9.131 7.202 1.00 0.00 C ATOM 1254 CG1 ILE A 79 3.047 -9.979 6.007 1.00 0.00 C ATOM 1255 CG2 ILE A 79 2.770 -7.790 7.198 1.00 0.00 C ATOM 1256 CD1 ILE A 79 1.573 -10.320 6.015 1.00 0.00 C ATOM 0 H ILE A 79 5.138 -11.012 7.187 1.00 0.00 H new ATOM 0 HA ILE A 79 5.275 -8.384 6.256 1.00 0.00 H new ATOM 0 HB ILE A 79 3.232 -9.661 8.119 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.282 -9.444 5.087 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.624 -10.903 5.995 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.693 -7.956 7.220 1.00 0.00 H new ATOM 0 HG22 ILE A 79 3.067 -7.215 8.075 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.034 -7.238 6.296 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.334 -10.922 5.138 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.335 -10.883 6.917 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.987 -9.401 5.995 1.00 0.00 H new ATOM 1268 N GLU A 80 5.440 -8.749 9.559 1.00 0.00 N ATOM 1269 CA GLU A 80 5.883 -8.115 10.793 1.00 0.00 C ATOM 1270 C GLU A 80 7.289 -7.560 10.636 1.00 0.00 C ATOM 1271 O GLU A 80 7.550 -6.398 10.953 1.00 0.00 O ATOM 1272 CB GLU A 80 5.871 -9.118 11.948 1.00 0.00 C ATOM 1273 CG GLU A 80 4.492 -9.610 12.337 1.00 0.00 C ATOM 1274 CD GLU A 80 4.533 -10.470 13.581 1.00 0.00 C ATOM 1275 OE1 GLU A 80 4.638 -9.904 14.690 1.00 0.00 O ATOM 1276 OE2 GLU A 80 4.493 -11.713 13.458 1.00 0.00 O ATOM 0 H GLU A 80 5.138 -9.717 9.670 1.00 0.00 H new ATOM 0 HA GLU A 80 5.194 -7.299 11.013 1.00 0.00 H new ATOM 0 HB2 GLU A 80 6.485 -9.976 11.674 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.337 -8.657 12.818 1.00 0.00 H new ATOM 0 HG2 GLU A 80 3.836 -8.756 12.507 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.064 -10.182 11.514 1.00 0.00 H new ATOM 1283 N THR A 81 8.185 -8.400 10.135 1.00 0.00 N ATOM 1284 CA THR A 81 9.575 -8.023 9.944 1.00 0.00 C ATOM 1285 C THR A 81 9.696 -6.837 8.987 1.00 0.00 C ATOM 1286 O THR A 81 10.478 -5.920 9.225 1.00 0.00 O ATOM 1287 CB THR A 81 10.399 -9.212 9.406 1.00 0.00 C ATOM 1288 OG1 THR A 81 10.210 -10.352 10.251 1.00 0.00 O ATOM 1289 CG2 THR A 81 11.880 -8.870 9.346 1.00 0.00 C ATOM 0 H THR A 81 7.969 -9.356 9.852 1.00 0.00 H new ATOM 0 HA THR A 81 9.971 -7.730 10.916 1.00 0.00 H new ATOM 0 HB THR A 81 10.054 -9.435 8.397 1.00 0.00 H new ATOM 0 HG1 THR A 81 9.381 -10.811 10.001 1.00 0.00 H new ATOM 0 HG21 THR A 81 12.436 -9.726 8.963 1.00 0.00 H new ATOM 0 HG22 THR A 81 12.030 -8.016 8.686 1.00 0.00 H new ATOM 0 HG23 THR A 81 12.237 -8.623 10.346 1.00 0.00 H new ATOM 1297 N THR A 82 8.901 -6.847 7.923 1.00 0.00 N ATOM 1298 CA THR A 82 8.929 -5.778 6.934 1.00 0.00 C ATOM 1299 C THR A 82 8.466 -4.449 7.532 1.00 0.00 C ATOM 1300 O THR A 82 9.136 -3.423 7.379 1.00 0.00 O ATOM 1301 CB THR A 82 8.054 -6.131 5.718 1.00 0.00 C ATOM 1302 OG1 THR A 82 8.471 -7.389 5.175 1.00 0.00 O ATOM 1303 CG2 THR A 82 8.157 -5.061 4.646 1.00 0.00 C ATOM 0 H THR A 82 8.227 -7.587 7.724 1.00 0.00 H new ATOM 0 HA THR A 82 9.964 -5.669 6.609 1.00 0.00 H new ATOM 0 HB THR A 82 7.017 -6.193 6.048 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.241 -8.108 5.800 1.00 0.00 H new ATOM 0 HG21 THR A 82 7.529 -5.334 3.798 1.00 0.00 H new ATOM 0 HG22 THR A 82 7.823 -4.106 5.052 1.00 0.00 H new ATOM 0 HG23 THR A 82 9.193 -4.973 4.318 1.00 0.00 H new ATOM 1311 N SER A 83 7.334 -4.477 8.229 1.00 0.00 N ATOM 1312 CA SER A 83 6.785 -3.278 8.848 1.00 0.00 C ATOM 1313 C SER A 83 7.739 -2.755 9.924 1.00 0.00 C ATOM 1314 O SER A 83 7.988 -1.553 10.023 1.00 0.00 O ATOM 1315 CB SER A 83 5.405 -3.586 9.445 1.00 0.00 C ATOM 1316 OG SER A 83 4.718 -2.402 9.815 1.00 0.00 O ATOM 0 H SER A 83 6.779 -5.320 8.379 1.00 0.00 H new ATOM 0 HA SER A 83 6.670 -2.503 8.090 1.00 0.00 H new ATOM 0 HB2 SER A 83 4.810 -4.140 8.719 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.521 -4.228 10.319 1.00 0.00 H new ATOM 0 HG SER A 83 3.976 -2.246 9.194 1.00 0.00 H new ATOM 1322 N ASN A 84 8.297 -3.674 10.707 1.00 0.00 N ATOM 1323 CA ASN A 84 9.255 -3.319 11.748 1.00 0.00 C ATOM 1324 C ASN A 84 10.526 -2.736 11.134 1.00 0.00 C ATOM 1325 O ASN A 84 11.100 -1.781 11.656 1.00 0.00 O ATOM 1326 CB ASN A 84 9.605 -4.555 12.583 1.00 0.00 C ATOM 1327 CG ASN A 84 10.555 -4.250 13.729 1.00 0.00 C ATOM 1328 OD1 ASN A 84 10.518 -3.174 14.322 1.00 0.00 O ATOM 1329 ND2 ASN A 84 11.418 -5.203 14.044 1.00 0.00 N ATOM 0 H ASN A 84 8.101 -4.673 10.639 1.00 0.00 H new ATOM 0 HA ASN A 84 8.800 -2.566 12.391 1.00 0.00 H new ATOM 0 HB2 ASN A 84 8.688 -4.987 12.984 1.00 0.00 H new ATOM 0 HB3 ASN A 84 10.055 -5.308 11.936 1.00 0.00 H new ATOM 0 HD21 ASN A 84 12.084 -5.058 14.803 1.00 0.00 H new ATOM 0 HD22 ASN A 84 11.417 -6.083 13.528 1.00 0.00 H new ATOM 1336 N LYS A 85 10.947 -3.313 10.016 1.00 0.00 N ATOM 1337 CA LYS A 85 12.148 -2.870 9.322 1.00 0.00 C ATOM 1338 C LYS A 85 11.972 -1.447 8.793 1.00 0.00 C ATOM 1339 O LYS A 85 12.909 -0.649 8.815 1.00 0.00 O ATOM 1340 CB LYS A 85 12.477 -3.845 8.185 1.00 0.00 C ATOM 1341 CG LYS A 85 13.792 -3.564 7.476 1.00 0.00 C ATOM 1342 CD LYS A 85 14.270 -4.777 6.687 1.00 0.00 C ATOM 1343 CE LYS A 85 13.279 -5.193 5.605 1.00 0.00 C ATOM 1344 NZ LYS A 85 13.698 -6.454 4.929 1.00 0.00 N ATOM 0 H LYS A 85 10.470 -4.095 9.568 1.00 0.00 H new ATOM 0 HA LYS A 85 12.982 -2.860 10.024 1.00 0.00 H new ATOM 0 HB2 LYS A 85 12.505 -4.857 8.588 1.00 0.00 H new ATOM 0 HB3 LYS A 85 11.670 -3.815 7.453 1.00 0.00 H new ATOM 0 HG2 LYS A 85 13.670 -2.716 6.803 1.00 0.00 H new ATOM 0 HG3 LYS A 85 14.549 -3.283 8.208 1.00 0.00 H new ATOM 0 HD2 LYS A 85 15.232 -4.552 6.228 1.00 0.00 H new ATOM 0 HD3 LYS A 85 14.430 -5.611 7.370 1.00 0.00 H new ATOM 0 HE2 LYS A 85 12.292 -5.328 6.048 1.00 0.00 H new ATOM 0 HE3 LYS A 85 13.191 -4.396 4.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 13.589 -6.349 3.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 14.694 -6.654 5.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 13.104 -7.240 5.262 1.00 0.00 H new ATOM 1358 N LEU A 86 10.763 -1.130 8.338 1.00 0.00 N ATOM 1359 CA LEU A 86 10.442 0.225 7.906 1.00 0.00 C ATOM 1360 C LEU A 86 10.424 1.163 9.106 1.00 0.00 C ATOM 1361 O LEU A 86 11.038 2.229 9.086 1.00 0.00 O ATOM 1362 CB LEU A 86 9.082 0.264 7.201 1.00 0.00 C ATOM 1363 CG LEU A 86 8.602 1.664 6.789 1.00 0.00 C ATOM 1364 CD1 LEU A 86 9.507 2.245 5.714 1.00 0.00 C ATOM 1365 CD2 LEU A 86 7.159 1.621 6.309 1.00 0.00 C ATOM 0 H LEU A 86 9.991 -1.792 8.259 1.00 0.00 H new ATOM 0 HA LEU A 86 11.208 0.550 7.202 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.134 -0.362 6.310 1.00 0.00 H new ATOM 0 HB3 LEU A 86 8.336 -0.180 7.860 1.00 0.00 H new ATOM 0 HG LEU A 86 8.649 2.311 7.665 1.00 0.00 H new ATOM 0 HD11 LEU A 86 9.151 3.237 5.435 1.00 0.00 H new ATOM 0 HD12 LEU A 86 10.525 2.319 6.096 1.00 0.00 H new ATOM 0 HD13 LEU A 86 9.495 1.596 4.838 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.841 2.623 6.023 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.081 0.956 5.449 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.520 1.253 7.111 1.00 0.00 H new ATOM 1377 N LYS A 87 9.730 0.731 10.154 1.00 0.00 N ATOM 1378 CA LYS A 87 9.583 1.507 11.383 1.00 0.00 C ATOM 1379 C LYS A 87 10.942 1.853 11.992 1.00 0.00 C ATOM 1380 O LYS A 87 11.114 2.912 12.597 1.00 0.00 O ATOM 1381 CB LYS A 87 8.747 0.704 12.387 1.00 0.00 C ATOM 1382 CG LYS A 87 8.391 1.460 13.658 1.00 0.00 C ATOM 1383 CD LYS A 87 7.654 0.560 14.641 1.00 0.00 C ATOM 1384 CE LYS A 87 7.188 1.330 15.866 1.00 0.00 C ATOM 1385 NZ LYS A 87 6.554 0.440 16.874 1.00 0.00 N ATOM 0 H LYS A 87 9.252 -0.170 10.176 1.00 0.00 H new ATOM 0 HA LYS A 87 9.080 2.444 11.143 1.00 0.00 H new ATOM 0 HB2 LYS A 87 7.826 0.384 11.900 1.00 0.00 H new ATOM 0 HB3 LYS A 87 9.295 -0.198 12.657 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.299 1.845 14.122 1.00 0.00 H new ATOM 0 HG3 LYS A 87 7.769 2.321 13.411 1.00 0.00 H new ATOM 0 HD2 LYS A 87 6.794 0.108 14.146 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.309 -0.255 14.950 1.00 0.00 H new ATOM 0 HE2 LYS A 87 8.038 1.842 16.318 1.00 0.00 H new ATOM 0 HE3 LYS A 87 6.477 2.099 15.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 6.250 1.004 17.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 5.728 -0.030 16.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 7.240 -0.278 17.183 1.00 0.00 H new ATOM 1399 N SER A 88 11.904 0.959 11.818 1.00 0.00 N ATOM 1400 CA SER A 88 13.212 1.121 12.431 1.00 0.00 C ATOM 1401 C SER A 88 14.201 1.831 11.504 1.00 0.00 C ATOM 1402 O SER A 88 14.730 2.893 11.843 1.00 0.00 O ATOM 1403 CB SER A 88 13.764 -0.249 12.829 1.00 0.00 C ATOM 1404 OG SER A 88 12.816 -0.968 13.599 1.00 0.00 O ATOM 0 H SER A 88 11.802 0.113 11.257 1.00 0.00 H new ATOM 0 HA SER A 88 13.088 1.747 13.315 1.00 0.00 H new ATOM 0 HB2 SER A 88 14.019 -0.817 11.935 1.00 0.00 H new ATOM 0 HB3 SER A 88 14.684 -0.124 13.400 1.00 0.00 H new ATOM 0 HG SER A 88 12.063 -1.230 13.029 1.00 0.00 H new ATOM 1410 N ARG A 89 14.436 1.258 10.326 1.00 0.00 N ATOM 1411 CA ARG A 89 15.528 1.706 9.470 1.00 0.00 C ATOM 1412 C ARG A 89 15.068 2.667 8.383 1.00 0.00 C ATOM 1413 O ARG A 89 15.892 3.150 7.610 1.00 0.00 O ATOM 1414 CB ARG A 89 16.229 0.515 8.819 1.00 0.00 C ATOM 1415 CG ARG A 89 16.890 -0.424 9.810 1.00 0.00 C ATOM 1416 CD ARG A 89 17.767 -1.444 9.105 1.00 0.00 C ATOM 1417 NE ARG A 89 18.828 -0.801 8.329 1.00 0.00 N ATOM 1418 CZ ARG A 89 19.829 -1.456 7.743 1.00 0.00 C ATOM 1419 NH1 ARG A 89 19.913 -2.777 7.838 1.00 0.00 N ATOM 1420 NH2 ARG A 89 20.749 -0.782 7.058 1.00 0.00 N ATOM 0 H ARG A 89 13.888 0.487 9.945 1.00 0.00 H new ATOM 0 HA ARG A 89 16.222 2.240 10.119 1.00 0.00 H new ATOM 0 HB2 ARG A 89 15.502 -0.045 8.231 1.00 0.00 H new ATOM 0 HB3 ARG A 89 16.983 0.885 8.125 1.00 0.00 H new ATOM 0 HG2 ARG A 89 17.492 0.151 10.513 1.00 0.00 H new ATOM 0 HG3 ARG A 89 16.125 -0.939 10.392 1.00 0.00 H new ATOM 0 HD2 ARG A 89 18.210 -2.114 9.842 1.00 0.00 H new ATOM 0 HD3 ARG A 89 17.154 -2.057 8.445 1.00 0.00 H new ATOM 0 HE ARG A 89 18.799 0.214 8.230 1.00 0.00 H new ATOM 0 HH11 ARG A 89 19.209 -3.296 8.362 1.00 0.00 H new ATOM 0 HH12 ARG A 89 20.682 -3.273 7.387 1.00 0.00 H new ATOM 0 HH21 ARG A 89 20.687 0.233 6.983 1.00 0.00 H new ATOM 0 HH22 ARG A 89 21.517 -1.281 6.608 1.00 0.00 H new ATOM 1434 N GLU A 90 13.763 2.933 8.316 1.00 0.00 N ATOM 1435 CA GLU A 90 13.213 3.841 7.306 1.00 0.00 C ATOM 1436 C GLU A 90 13.578 3.374 5.898 1.00 0.00 C ATOM 1437 O GLU A 90 14.098 4.150 5.093 1.00 0.00 O ATOM 1438 CB GLU A 90 13.737 5.260 7.524 1.00 0.00 C ATOM 1439 CG GLU A 90 13.363 5.868 8.864 1.00 0.00 C ATOM 1440 CD GLU A 90 14.071 7.182 9.105 1.00 0.00 C ATOM 1441 OE1 GLU A 90 13.862 8.127 8.316 1.00 0.00 O ATOM 1442 OE2 GLU A 90 14.861 7.269 10.071 1.00 0.00 O ATOM 0 H GLU A 90 13.068 2.534 8.947 1.00 0.00 H new ATOM 0 HA GLU A 90 12.128 3.837 7.408 1.00 0.00 H new ATOM 0 HB2 GLU A 90 14.823 5.251 7.433 1.00 0.00 H new ATOM 0 HB3 GLU A 90 13.356 5.901 6.729 1.00 0.00 H new ATOM 0 HG2 GLU A 90 12.285 6.024 8.903 1.00 0.00 H new ATOM 0 HG3 GLU A 90 13.613 5.169 9.662 1.00 0.00 H new ATOM 1449 N ILE A 91 13.307 2.105 5.612 1.00 0.00 N ATOM 1450 CA ILE A 91 13.653 1.523 4.321 1.00 0.00 C ATOM 1451 C ILE A 91 12.828 2.142 3.198 1.00 0.00 C ATOM 1452 O ILE A 91 11.736 2.666 3.430 1.00 0.00 O ATOM 1453 CB ILE A 91 13.458 -0.009 4.312 1.00 0.00 C ATOM 1454 CG1 ILE A 91 12.005 -0.374 4.636 1.00 0.00 C ATOM 1455 CG2 ILE A 91 14.414 -0.666 5.299 1.00 0.00 C ATOM 1456 CD1 ILE A 91 11.717 -1.859 4.570 1.00 0.00 C ATOM 0 H ILE A 91 12.849 1.460 6.256 1.00 0.00 H new ATOM 0 HA ILE A 91 14.708 1.741 4.154 1.00 0.00 H new ATOM 0 HB ILE A 91 13.682 -0.382 3.312 1.00 0.00 H new ATOM 0 HG12 ILE A 91 11.763 -0.011 5.635 1.00 0.00 H new ATOM 0 HG13 ILE A 91 11.346 0.145 3.940 1.00 0.00 H new ATOM 0 HG21 ILE A 91 14.267 -1.746 5.284 1.00 0.00 H new ATOM 0 HG22 ILE A 91 15.442 -0.436 5.018 1.00 0.00 H new ATOM 0 HG23 ILE A 91 14.218 -0.287 6.302 1.00 0.00 H new ATOM 0 HD11 ILE A 91 10.669 -2.037 4.811 1.00 0.00 H new ATOM 0 HD12 ILE A 91 11.925 -2.226 3.565 1.00 0.00 H new ATOM 0 HD13 ILE A 91 12.349 -2.384 5.286 1.00 0.00 H new ATOM 1468 N THR A 92 13.363 2.082 1.988 1.00 0.00 N ATOM 1469 CA THR A 92 12.697 2.636 0.821 1.00 0.00 C ATOM 1470 C THR A 92 11.363 1.940 0.567 1.00 0.00 C ATOM 1471 O THR A 92 11.155 0.799 0.996 1.00 0.00 O ATOM 1472 CB THR A 92 13.584 2.489 -0.426 1.00 0.00 C ATOM 1473 OG1 THR A 92 14.951 2.337 -0.028 1.00 0.00 O ATOM 1474 CG2 THR A 92 13.451 3.701 -1.337 1.00 0.00 C ATOM 0 H THR A 92 14.266 1.651 1.789 1.00 0.00 H new ATOM 0 HA THR A 92 12.515 3.692 1.019 1.00 0.00 H new ATOM 0 HB THR A 92 13.258 1.607 -0.977 1.00 0.00 H new ATOM 0 HG1 THR A 92 15.300 1.489 -0.374 1.00 0.00 H new ATOM 0 HG21 THR A 92 14.089 3.571 -2.211 1.00 0.00 H new ATOM 0 HG22 THR A 92 12.414 3.804 -1.657 1.00 0.00 H new ATOM 0 HG23 THR A 92 13.755 4.598 -0.797 1.00 0.00 H new ATOM 1482 N PHE A 93 10.469 2.623 -0.141 1.00 0.00 N ATOM 1483 CA PHE A 93 9.170 2.058 -0.475 1.00 0.00 C ATOM 1484 C PHE A 93 9.364 0.790 -1.309 1.00 0.00 C ATOM 1485 O PHE A 93 8.545 -0.131 -1.276 1.00 0.00 O ATOM 1486 CB PHE A 93 8.327 3.086 -1.240 1.00 0.00 C ATOM 1487 CG PHE A 93 6.889 2.683 -1.431 1.00 0.00 C ATOM 1488 CD1 PHE A 93 5.974 2.839 -0.403 1.00 0.00 C ATOM 1489 CD2 PHE A 93 6.455 2.155 -2.636 1.00 0.00 C ATOM 1490 CE1 PHE A 93 4.651 2.476 -0.574 1.00 0.00 C ATOM 1491 CE2 PHE A 93 5.133 1.790 -2.812 1.00 0.00 C ATOM 1492 CZ PHE A 93 4.230 1.951 -1.780 1.00 0.00 C ATOM 0 H PHE A 93 10.622 3.568 -0.494 1.00 0.00 H new ATOM 0 HA PHE A 93 8.641 1.799 0.442 1.00 0.00 H new ATOM 0 HB2 PHE A 93 8.359 4.036 -0.706 1.00 0.00 H new ATOM 0 HB3 PHE A 93 8.779 3.255 -2.218 1.00 0.00 H new ATOM 0 HD1 PHE A 93 6.298 3.249 0.542 1.00 0.00 H new ATOM 0 HD2 PHE A 93 7.157 2.027 -3.447 1.00 0.00 H new ATOM 0 HE1 PHE A 93 3.947 2.603 0.235 1.00 0.00 H new ATOM 0 HE2 PHE A 93 4.807 1.379 -3.756 1.00 0.00 H new ATOM 0 HZ PHE A 93 3.197 1.667 -1.916 1.00 0.00 H new ATOM 1502 N GLN A 94 10.470 0.763 -2.047 1.00 0.00 N ATOM 1503 CA GLN A 94 10.875 -0.407 -2.815 1.00 0.00 C ATOM 1504 C GLN A 94 11.070 -1.611 -1.896 1.00 0.00 C ATOM 1505 O GLN A 94 10.453 -2.656 -2.092 1.00 0.00 O ATOM 1506 CB GLN A 94 12.173 -0.099 -3.561 1.00 0.00 C ATOM 1507 CG GLN A 94 12.756 -1.279 -4.317 1.00 0.00 C ATOM 1508 CD GLN A 94 14.088 -0.945 -4.954 1.00 0.00 C ATOM 1509 OE1 GLN A 94 14.152 -0.512 -6.104 1.00 0.00 O ATOM 1510 NE2 GLN A 94 15.162 -1.131 -4.206 1.00 0.00 N ATOM 0 H GLN A 94 11.110 1.553 -2.129 1.00 0.00 H new ATOM 0 HA GLN A 94 10.092 -0.649 -3.533 1.00 0.00 H new ATOM 0 HB2 GLN A 94 11.990 0.713 -4.265 1.00 0.00 H new ATOM 0 HB3 GLN A 94 12.913 0.260 -2.846 1.00 0.00 H new ATOM 0 HG2 GLN A 94 12.882 -2.120 -3.635 1.00 0.00 H new ATOM 0 HG3 GLN A 94 12.055 -1.597 -5.089 1.00 0.00 H new ATOM 0 HE21 GLN A 94 15.066 -1.492 -3.257 1.00 0.00 H new ATOM 0 HE22 GLN A 94 16.086 -0.913 -4.578 1.00 0.00 H new ATOM 1519 N GLU A 95 11.921 -1.441 -0.886 1.00 0.00 N ATOM 1520 CA GLU A 95 12.206 -2.496 0.084 1.00 0.00 C ATOM 1521 C GLU A 95 10.938 -2.948 0.794 1.00 0.00 C ATOM 1522 O GLU A 95 10.709 -4.146 0.977 1.00 0.00 O ATOM 1523 CB GLU A 95 13.230 -2.016 1.122 1.00 0.00 C ATOM 1524 CG GLU A 95 14.682 -2.142 0.678 1.00 0.00 C ATOM 1525 CD GLU A 95 14.972 -1.428 -0.624 1.00 0.00 C ATOM 1526 OE1 GLU A 95 15.235 -0.210 -0.591 1.00 0.00 O ATOM 1527 OE2 GLU A 95 14.939 -2.089 -1.683 1.00 0.00 O ATOM 0 H GLU A 95 12.430 -0.573 -0.718 1.00 0.00 H new ATOM 0 HA GLU A 95 12.620 -3.342 -0.465 1.00 0.00 H new ATOM 0 HB2 GLU A 95 13.025 -0.972 1.361 1.00 0.00 H new ATOM 0 HB3 GLU A 95 13.093 -2.586 2.041 1.00 0.00 H new ATOM 0 HG2 GLU A 95 15.329 -1.740 1.457 1.00 0.00 H new ATOM 0 HG3 GLU A 95 14.932 -3.197 0.569 1.00 0.00 H new ATOM 1534 N TYR A 96 10.123 -1.982 1.189 1.00 0.00 N ATOM 1535 CA TYR A 96 8.890 -2.262 1.914 1.00 0.00 C ATOM 1536 C TYR A 96 7.960 -3.141 1.082 1.00 0.00 C ATOM 1537 O TYR A 96 7.578 -4.236 1.500 1.00 0.00 O ATOM 1538 CB TYR A 96 8.195 -0.944 2.273 1.00 0.00 C ATOM 1539 CG TYR A 96 7.039 -1.094 3.234 1.00 0.00 C ATOM 1540 CD1 TYR A 96 7.244 -1.577 4.518 1.00 0.00 C ATOM 1541 CD2 TYR A 96 5.749 -0.739 2.863 1.00 0.00 C ATOM 1542 CE1 TYR A 96 6.198 -1.704 5.406 1.00 0.00 C ATOM 1543 CE2 TYR A 96 4.693 -0.864 3.748 1.00 0.00 C ATOM 1544 CZ TYR A 96 4.926 -1.345 5.020 1.00 0.00 C ATOM 1545 OH TYR A 96 3.889 -1.467 5.910 1.00 0.00 O ATOM 0 H TYR A 96 10.294 -0.991 1.019 1.00 0.00 H new ATOM 0 HA TYR A 96 9.135 -2.801 2.829 1.00 0.00 H new ATOM 0 HB2 TYR A 96 8.929 -0.266 2.709 1.00 0.00 H new ATOM 0 HB3 TYR A 96 7.833 -0.476 1.357 1.00 0.00 H new ATOM 0 HD1 TYR A 96 8.240 -1.858 4.827 1.00 0.00 H new ATOM 0 HD2 TYR A 96 5.567 -0.359 1.868 1.00 0.00 H new ATOM 0 HE1 TYR A 96 6.375 -2.084 6.401 1.00 0.00 H new ATOM 0 HE2 TYR A 96 3.694 -0.587 3.445 1.00 0.00 H new ATOM 0 HH TYR A 96 3.280 -2.173 5.608 1.00 0.00 H new ATOM 1555 N ARG A 97 7.632 -2.667 -0.109 1.00 0.00 N ATOM 1556 CA ARG A 97 6.708 -3.363 -0.996 1.00 0.00 C ATOM 1557 C ARG A 97 7.264 -4.717 -1.453 1.00 0.00 C ATOM 1558 O ARG A 97 6.520 -5.691 -1.573 1.00 0.00 O ATOM 1559 CB ARG A 97 6.388 -2.459 -2.192 1.00 0.00 C ATOM 1560 CG ARG A 97 5.890 -3.201 -3.417 1.00 0.00 C ATOM 1561 CD ARG A 97 5.649 -2.264 -4.588 1.00 0.00 C ATOM 1562 NE ARG A 97 5.152 -2.988 -5.758 1.00 0.00 N ATOM 1563 CZ ARG A 97 5.324 -2.593 -7.020 1.00 0.00 C ATOM 1564 NH1 ARG A 97 5.960 -1.459 -7.291 1.00 0.00 N ATOM 1565 NH2 ARG A 97 4.854 -3.331 -8.013 1.00 0.00 N ATOM 0 H ARG A 97 7.996 -1.793 -0.489 1.00 0.00 H new ATOM 0 HA ARG A 97 5.790 -3.578 -0.449 1.00 0.00 H new ATOM 0 HB2 ARG A 97 5.635 -1.731 -1.891 1.00 0.00 H new ATOM 0 HB3 ARG A 97 7.284 -1.899 -2.460 1.00 0.00 H new ATOM 0 HG2 ARG A 97 6.619 -3.960 -3.703 1.00 0.00 H new ATOM 0 HG3 ARG A 97 4.965 -3.723 -3.174 1.00 0.00 H new ATOM 0 HD2 ARG A 97 4.930 -1.497 -4.300 1.00 0.00 H new ATOM 0 HD3 ARG A 97 6.577 -1.751 -4.843 1.00 0.00 H new ATOM 0 HE ARG A 97 4.639 -3.855 -5.597 1.00 0.00 H new ATOM 0 HH11 ARG A 97 6.321 -0.883 -6.531 1.00 0.00 H new ATOM 0 HH12 ARG A 97 6.087 -1.164 -8.259 1.00 0.00 H new ATOM 0 HH21 ARG A 97 4.361 -4.201 -7.813 1.00 0.00 H new ATOM 0 HH22 ARG A 97 4.985 -3.030 -8.979 1.00 0.00 H new ATOM 1579 N ARG A 98 8.568 -4.773 -1.696 1.00 0.00 N ATOM 1580 CA ARG A 98 9.221 -5.997 -2.159 1.00 0.00 C ATOM 1581 C ARG A 98 9.060 -7.141 -1.156 1.00 0.00 C ATOM 1582 O ARG A 98 8.662 -8.250 -1.521 1.00 0.00 O ATOM 1583 CB ARG A 98 10.708 -5.733 -2.418 1.00 0.00 C ATOM 1584 CG ARG A 98 11.509 -6.972 -2.785 1.00 0.00 C ATOM 1585 CD ARG A 98 12.956 -6.623 -3.087 1.00 0.00 C ATOM 1586 NE ARG A 98 13.770 -7.813 -3.321 1.00 0.00 N ATOM 1587 CZ ARG A 98 14.637 -7.943 -4.325 1.00 0.00 C ATOM 1588 NH1 ARG A 98 14.810 -6.956 -5.197 1.00 0.00 N ATOM 1589 NH2 ARG A 98 15.342 -9.059 -4.445 1.00 0.00 N ATOM 0 H ARG A 98 9.200 -3.981 -1.580 1.00 0.00 H new ATOM 0 HA ARG A 98 8.737 -6.299 -3.088 1.00 0.00 H new ATOM 0 HB2 ARG A 98 10.801 -5.003 -3.222 1.00 0.00 H new ATOM 0 HB3 ARG A 98 11.146 -5.283 -1.527 1.00 0.00 H new ATOM 0 HG2 ARG A 98 11.469 -7.690 -1.966 1.00 0.00 H new ATOM 0 HG3 ARG A 98 11.060 -7.454 -3.653 1.00 0.00 H new ATOM 0 HD2 ARG A 98 12.997 -5.978 -3.964 1.00 0.00 H new ATOM 0 HD3 ARG A 98 13.373 -6.057 -2.255 1.00 0.00 H new ATOM 0 HE ARG A 98 13.668 -8.595 -2.674 1.00 0.00 H new ATOM 0 HH11 ARG A 98 14.278 -6.091 -5.101 1.00 0.00 H new ATOM 0 HH12 ARG A 98 15.475 -7.063 -5.963 1.00 0.00 H new ATOM 0 HH21 ARG A 98 15.220 -9.814 -3.770 1.00 0.00 H new ATOM 0 HH22 ARG A 98 16.007 -9.162 -5.212 1.00 0.00 H new ATOM 1603 N ASN A 99 9.355 -6.865 0.107 1.00 0.00 N ATOM 1604 CA ASN A 99 9.314 -7.896 1.141 1.00 0.00 C ATOM 1605 C ASN A 99 7.878 -8.331 1.423 1.00 0.00 C ATOM 1606 O ASN A 99 7.627 -9.494 1.737 1.00 0.00 O ATOM 1607 CB ASN A 99 9.994 -7.410 2.424 1.00 0.00 C ATOM 1608 CG ASN A 99 11.511 -7.405 2.321 1.00 0.00 C ATOM 1609 OD1 ASN A 99 12.176 -8.382 2.667 1.00 0.00 O ATOM 1610 ND2 ASN A 99 12.073 -6.303 1.849 1.00 0.00 N ATOM 0 H ASN A 99 9.625 -5.940 0.442 1.00 0.00 H new ATOM 0 HA ASN A 99 9.863 -8.762 0.772 1.00 0.00 H new ATOM 0 HB2 ASN A 99 9.647 -6.403 2.655 1.00 0.00 H new ATOM 0 HB3 ASN A 99 9.693 -8.049 3.254 1.00 0.00 H new ATOM 0 HD21 ASN A 99 13.088 -6.245 1.763 1.00 0.00 H new ATOM 0 HD22 ASN A 99 11.491 -5.512 1.572 1.00 0.00 H new ATOM 1617 N LEU A 100 6.934 -7.403 1.285 1.00 0.00 N ATOM 1618 CA LEU A 100 5.523 -7.721 1.473 1.00 0.00 C ATOM 1619 C LEU A 100 5.031 -8.654 0.369 1.00 0.00 C ATOM 1620 O LEU A 100 4.246 -9.569 0.617 1.00 0.00 O ATOM 1621 CB LEU A 100 4.679 -6.443 1.482 1.00 0.00 C ATOM 1622 CG LEU A 100 4.950 -5.487 2.645 1.00 0.00 C ATOM 1623 CD1 LEU A 100 4.150 -4.208 2.478 1.00 0.00 C ATOM 1624 CD2 LEU A 100 4.614 -6.147 3.973 1.00 0.00 C ATOM 0 H LEU A 100 7.120 -6.429 1.045 1.00 0.00 H new ATOM 0 HA LEU A 100 5.416 -8.223 2.435 1.00 0.00 H new ATOM 0 HB2 LEU A 100 4.849 -5.909 0.547 1.00 0.00 H new ATOM 0 HB3 LEU A 100 3.626 -6.723 1.502 1.00 0.00 H new ATOM 0 HG LEU A 100 6.011 -5.239 2.641 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.355 -3.539 3.314 1.00 0.00 H new ATOM 0 HD12 LEU A 100 4.434 -3.720 1.545 1.00 0.00 H new ATOM 0 HD13 LEU A 100 3.086 -4.445 2.455 1.00 0.00 H new ATOM 0 HD21 LEU A 100 4.814 -5.450 4.787 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.560 -6.426 3.985 1.00 0.00 H new ATOM 0 HD23 LEU A 100 5.227 -7.039 4.101 1.00 0.00 H new ATOM 1636 N ALA A 101 5.508 -8.417 -0.846 1.00 0.00 N ATOM 1637 CA ALA A 101 5.120 -9.224 -1.997 1.00 0.00 C ATOM 1638 C ALA A 101 5.539 -10.680 -1.811 1.00 0.00 C ATOM 1639 O ALA A 101 4.792 -11.601 -2.151 1.00 0.00 O ATOM 1640 CB ALA A 101 5.728 -8.652 -3.270 1.00 0.00 C ATOM 0 H ALA A 101 6.167 -7.669 -1.061 1.00 0.00 H new ATOM 0 HA ALA A 101 4.034 -9.195 -2.084 1.00 0.00 H new ATOM 0 HB1 ALA A 101 5.431 -9.264 -4.122 1.00 0.00 H new ATOM 0 HB2 ALA A 101 5.375 -7.631 -3.415 1.00 0.00 H new ATOM 0 HB3 ALA A 101 6.815 -8.651 -3.186 1.00 0.00 H new ATOM 1646 N LYS A 102 6.728 -10.885 -1.256 1.00 0.00 N ATOM 1647 CA LYS A 102 7.232 -12.235 -1.017 1.00 0.00 C ATOM 1648 C LYS A 102 6.452 -12.914 0.110 1.00 0.00 C ATOM 1649 O LYS A 102 6.367 -14.143 0.166 1.00 0.00 O ATOM 1650 CB LYS A 102 8.722 -12.208 -0.669 1.00 0.00 C ATOM 1651 CG LYS A 102 9.331 -13.598 -0.547 1.00 0.00 C ATOM 1652 CD LYS A 102 10.730 -13.559 0.042 1.00 0.00 C ATOM 1653 CE LYS A 102 11.301 -14.960 0.171 1.00 0.00 C ATOM 1654 NZ LYS A 102 12.624 -14.965 0.844 1.00 0.00 N ATOM 0 H LYS A 102 7.359 -10.139 -0.964 1.00 0.00 H new ATOM 0 HA LYS A 102 7.096 -12.806 -1.935 1.00 0.00 H new ATOM 0 HB2 LYS A 102 9.258 -11.649 -1.436 1.00 0.00 H new ATOM 0 HB3 LYS A 102 8.860 -11.673 0.271 1.00 0.00 H new ATOM 0 HG2 LYS A 102 8.692 -14.220 0.080 1.00 0.00 H new ATOM 0 HG3 LYS A 102 9.365 -14.066 -1.531 1.00 0.00 H new ATOM 0 HD2 LYS A 102 11.379 -12.954 -0.591 1.00 0.00 H new ATOM 0 HD3 LYS A 102 10.704 -13.081 1.021 1.00 0.00 H new ATOM 0 HE2 LYS A 102 10.606 -15.584 0.734 1.00 0.00 H new ATOM 0 HE3 LYS A 102 11.397 -15.404 -0.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 12.976 -15.941 0.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 13.295 -14.392 0.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 12.529 -14.565 1.799 1.00 0.00 H new ATOM 1668 N ALA A 103 5.874 -12.109 0.996 1.00 0.00 N ATOM 1669 CA ALA A 103 5.143 -12.629 2.146 1.00 0.00 C ATOM 1670 C ALA A 103 3.832 -13.287 1.724 1.00 0.00 C ATOM 1671 O ALA A 103 3.207 -14.003 2.509 1.00 0.00 O ATOM 1672 CB ALA A 103 4.874 -11.516 3.146 1.00 0.00 C ATOM 0 H ALA A 103 5.898 -11.091 0.939 1.00 0.00 H new ATOM 0 HA ALA A 103 5.763 -13.391 2.618 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.328 -11.918 3.999 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.821 -11.096 3.486 1.00 0.00 H new ATOM 0 HB3 ALA A 103 4.281 -10.735 2.670 1.00 0.00 H new ATOM 1678 N GLY A 104 3.426 -13.044 0.484 1.00 0.00 N ATOM 1679 CA GLY A 104 2.202 -13.631 -0.024 1.00 0.00 C ATOM 1680 C GLY A 104 1.052 -12.651 -0.028 1.00 0.00 C ATOM 1681 O GLY A 104 -0.097 -13.028 -0.253 1.00 0.00 O ATOM 0 H GLY A 104 3.924 -12.450 -0.179 1.00 0.00 H new ATOM 0 HA2 GLY A 104 2.370 -13.994 -1.038 1.00 0.00 H new ATOM 0 HA3 GLY A 104 1.937 -14.496 0.585 1.00 0.00 H new ATOM 1685 N VAL A 105 1.364 -11.390 0.222 1.00 0.00 N ATOM 1686 CA VAL A 105 0.357 -10.347 0.235 1.00 0.00 C ATOM 1687 C VAL A 105 0.030 -9.917 -1.190 1.00 0.00 C ATOM 1688 O VAL A 105 0.890 -9.425 -1.913 1.00 0.00 O ATOM 1689 CB VAL A 105 0.829 -9.123 1.051 1.00 0.00 C ATOM 1690 CG1 VAL A 105 -0.260 -8.061 1.121 1.00 0.00 C ATOM 1691 CG2 VAL A 105 1.265 -9.545 2.446 1.00 0.00 C ATOM 0 H VAL A 105 2.311 -11.065 0.419 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.538 -10.751 0.709 1.00 0.00 H new ATOM 0 HB VAL A 105 1.689 -8.687 0.542 1.00 0.00 H new ATOM 0 HG11 VAL A 105 0.098 -7.210 1.701 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -0.513 -7.732 0.113 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -1.146 -8.479 1.599 1.00 0.00 H new ATOM 0 HG21 VAL A 105 1.594 -8.669 3.005 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.427 -10.012 2.963 1.00 0.00 H new ATOM 0 HG23 VAL A 105 2.087 -10.257 2.371 1.00 0.00 H new ATOM 1701 N PHE A 106 -1.208 -10.132 -1.597 1.00 0.00 N ATOM 1702 CA PHE A 106 -1.656 -9.712 -2.912 1.00 0.00 C ATOM 1703 C PHE A 106 -2.449 -8.422 -2.793 1.00 0.00 C ATOM 1704 O PHE A 106 -2.433 -7.579 -3.693 1.00 0.00 O ATOM 1705 CB PHE A 106 -2.510 -10.803 -3.560 1.00 0.00 C ATOM 1706 CG PHE A 106 -3.001 -10.450 -4.935 1.00 0.00 C ATOM 1707 CD1 PHE A 106 -2.180 -10.604 -6.039 1.00 0.00 C ATOM 1708 CD2 PHE A 106 -4.281 -9.960 -5.123 1.00 0.00 C ATOM 1709 CE1 PHE A 106 -2.627 -10.275 -7.305 1.00 0.00 C ATOM 1710 CE2 PHE A 106 -4.733 -9.629 -6.384 1.00 0.00 C ATOM 1711 CZ PHE A 106 -3.906 -9.789 -7.478 1.00 0.00 C ATOM 0 H PHE A 106 -1.922 -10.596 -1.035 1.00 0.00 H new ATOM 0 HA PHE A 106 -0.785 -9.539 -3.545 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -1.927 -11.722 -3.617 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -3.368 -11.009 -2.920 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -1.178 -10.986 -5.910 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -4.935 -9.835 -4.272 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -1.976 -10.398 -8.157 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -5.734 -9.245 -6.515 1.00 0.00 H new ATOM 0 HZ PHE A 106 -4.260 -9.534 -8.466 1.00 0.00 H new ATOM 1721 N ARG A 107 -3.128 -8.269 -1.665 1.00 0.00 N ATOM 1722 CA ARG A 107 -3.926 -7.083 -1.412 1.00 0.00 C ATOM 1723 C ARG A 107 -3.415 -6.360 -0.179 1.00 0.00 C ATOM 1724 O ARG A 107 -3.672 -6.796 0.940 1.00 0.00 O ATOM 1725 CB ARG A 107 -5.399 -7.429 -1.159 1.00 0.00 C ATOM 1726 CG ARG A 107 -6.094 -8.239 -2.241 1.00 0.00 C ATOM 1727 CD ARG A 107 -7.558 -8.444 -1.870 1.00 0.00 C ATOM 1728 NE ARG A 107 -8.281 -9.298 -2.809 1.00 0.00 N ATOM 1729 CZ ARG A 107 -9.580 -9.588 -2.697 1.00 0.00 C ATOM 1730 NH1 ARG A 107 -10.288 -9.108 -1.679 1.00 0.00 N ATOM 1731 NH2 ARG A 107 -10.170 -10.357 -3.597 1.00 0.00 N ATOM 0 H ARG A 107 -3.141 -8.955 -0.910 1.00 0.00 H new ATOM 0 HA ARG A 107 -3.844 -6.457 -2.300 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -5.465 -7.982 -0.222 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -5.950 -6.499 -1.020 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -6.020 -7.723 -3.198 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -5.601 -9.204 -2.360 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -7.615 -8.883 -0.874 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -8.051 -7.473 -1.819 1.00 0.00 H new ATOM 0 HE ARG A 107 -7.765 -9.695 -3.594 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -9.839 -8.516 -0.980 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -11.280 -9.332 -1.597 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -9.633 -10.731 -4.380 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -11.162 -10.577 -3.509 1.00 0.00 H new ATOM 1745 N TRP A 108 -2.687 -5.275 -0.364 1.00 0.00 N ATOM 1746 CA TRP A 108 -2.388 -4.406 0.755 1.00 0.00 C ATOM 1747 C TRP A 108 -3.260 -3.163 0.650 1.00 0.00 C ATOM 1748 O TRP A 108 -3.041 -2.271 -0.177 1.00 0.00 O ATOM 1749 CB TRP A 108 -0.882 -4.087 0.897 1.00 0.00 C ATOM 1750 CG TRP A 108 -0.192 -3.555 -0.328 1.00 0.00 C ATOM 1751 CD1 TRP A 108 -0.564 -3.713 -1.625 1.00 0.00 C ATOM 1752 CD2 TRP A 108 1.031 -2.802 -0.357 1.00 0.00 C ATOM 1753 NE1 TRP A 108 0.327 -3.085 -2.453 1.00 0.00 N ATOM 1754 CE2 TRP A 108 1.314 -2.518 -1.701 1.00 0.00 C ATOM 1755 CE3 TRP A 108 1.904 -2.328 0.621 1.00 0.00 C ATOM 1756 CZ2 TRP A 108 2.434 -1.787 -2.091 1.00 0.00 C ATOM 1757 CZ3 TRP A 108 3.015 -1.607 0.240 1.00 0.00 C ATOM 1758 CH2 TRP A 108 3.273 -1.340 -1.109 1.00 0.00 C ATOM 0 H TRP A 108 -2.299 -4.979 -1.260 1.00 0.00 H new ATOM 0 HA TRP A 108 -2.628 -4.928 1.681 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -0.761 -3.360 1.700 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -0.369 -4.996 1.210 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -1.437 -4.256 -1.955 1.00 0.00 H new ATOM 0 HE1 TRP A 108 0.263 -3.047 -3.470 1.00 0.00 H new ATOM 0 HE3 TRP A 108 1.712 -2.524 1.666 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 2.632 -1.581 -3.132 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 3.697 -1.243 0.994 1.00 0.00 H new ATOM 0 HH2 TRP A 108 4.150 -0.771 -1.379 1.00 0.00 H new ATOM 1769 N VAL A 109 -4.305 -3.170 1.457 1.00 0.00 N ATOM 1770 CA VAL A 109 -5.346 -2.166 1.392 1.00 0.00 C ATOM 1771 C VAL A 109 -5.278 -1.263 2.609 1.00 0.00 C ATOM 1772 O VAL A 109 -5.489 -1.707 3.734 1.00 0.00 O ATOM 1773 CB VAL A 109 -6.740 -2.830 1.323 1.00 0.00 C ATOM 1774 CG1 VAL A 109 -7.824 -1.797 1.072 1.00 0.00 C ATOM 1775 CG2 VAL A 109 -6.770 -3.912 0.253 1.00 0.00 C ATOM 0 H VAL A 109 -4.454 -3.876 2.178 1.00 0.00 H new ATOM 0 HA VAL A 109 -5.191 -1.573 0.491 1.00 0.00 H new ATOM 0 HB VAL A 109 -6.937 -3.297 2.288 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -8.794 -2.291 1.028 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -7.825 -1.067 1.881 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -7.632 -1.290 0.126 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -7.761 -4.366 0.222 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -6.543 -3.471 -0.717 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -6.028 -4.676 0.487 1.00 0.00 H new ATOM 1785 N THR A 110 -4.968 0.000 2.391 1.00 0.00 N ATOM 1786 CA THR A 110 -4.869 0.934 3.494 1.00 0.00 C ATOM 1787 C THR A 110 -6.175 1.705 3.646 1.00 0.00 C ATOM 1788 O THR A 110 -6.484 2.598 2.852 1.00 0.00 O ATOM 1789 CB THR A 110 -3.697 1.912 3.300 1.00 0.00 C ATOM 1790 OG1 THR A 110 -2.511 1.180 2.956 1.00 0.00 O ATOM 1791 CG2 THR A 110 -3.446 2.718 4.565 1.00 0.00 C ATOM 0 H THR A 110 -4.782 0.399 1.471 1.00 0.00 H new ATOM 0 HA THR A 110 -4.680 0.361 4.402 1.00 0.00 H new ATOM 0 HB THR A 110 -3.954 2.601 2.496 1.00 0.00 H new ATOM 0 HG1 THR A 110 -2.090 1.589 2.171 1.00 0.00 H new ATOM 0 HG21 THR A 110 -2.613 3.402 4.402 1.00 0.00 H new ATOM 0 HG22 THR A 110 -4.340 3.289 4.816 1.00 0.00 H new ATOM 0 HG23 THR A 110 -3.205 2.042 5.385 1.00 0.00 H new ATOM 1799 N ASN A 111 -6.950 1.329 4.651 1.00 0.00 N ATOM 1800 CA ASN A 111 -8.223 1.976 4.918 1.00 0.00 C ATOM 1801 C ASN A 111 -8.037 3.116 5.900 1.00 0.00 C ATOM 1802 O ASN A 111 -7.818 2.890 7.087 1.00 0.00 O ATOM 1803 CB ASN A 111 -9.247 0.981 5.483 1.00 0.00 C ATOM 1804 CG ASN A 111 -9.714 -0.039 4.465 1.00 0.00 C ATOM 1805 OD1 ASN A 111 -8.975 -0.428 3.568 1.00 0.00 O ATOM 1806 ND2 ASN A 111 -10.961 -0.473 4.592 1.00 0.00 N ATOM 0 H ASN A 111 -6.717 0.575 5.298 1.00 0.00 H new ATOM 0 HA ASN A 111 -8.601 2.364 3.972 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -8.807 0.460 6.333 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -10.110 1.531 5.858 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -11.334 -1.153 3.930 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -11.547 -0.126 5.352 1.00 0.00 H new ATOM 1813 N ILE A 112 -8.105 4.336 5.399 1.00 0.00 N ATOM 1814 CA ILE A 112 -8.036 5.515 6.253 1.00 0.00 C ATOM 1815 C ILE A 112 -9.302 5.598 7.097 1.00 0.00 C ATOM 1816 O ILE A 112 -9.266 5.979 8.266 1.00 0.00 O ATOM 1817 CB ILE A 112 -7.846 6.821 5.426 1.00 0.00 C ATOM 1818 CG1 ILE A 112 -6.391 6.970 4.960 1.00 0.00 C ATOM 1819 CG2 ILE A 112 -8.263 8.053 6.227 1.00 0.00 C ATOM 1820 CD1 ILE A 112 -5.919 5.884 4.019 1.00 0.00 C ATOM 0 H ILE A 112 -8.208 4.540 4.405 1.00 0.00 H new ATOM 0 HA ILE A 112 -7.165 5.418 6.901 1.00 0.00 H new ATOM 0 HB ILE A 112 -8.490 6.745 4.550 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -6.278 7.935 4.466 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -5.742 6.982 5.836 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -8.118 8.947 5.621 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -9.314 7.969 6.503 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -7.655 8.123 7.129 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -4.881 6.069 3.741 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -5.995 4.916 4.513 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -6.540 5.884 3.123 1.00 0.00 H new ATOM 1832 N HIS A 113 -10.413 5.184 6.497 1.00 0.00 N ATOM 1833 CA HIS A 113 -11.705 5.187 7.168 1.00 0.00 C ATOM 1834 C HIS A 113 -11.704 4.238 8.368 1.00 0.00 C ATOM 1835 O HIS A 113 -12.361 4.496 9.376 1.00 0.00 O ATOM 1836 CB HIS A 113 -12.800 4.771 6.181 1.00 0.00 C ATOM 1837 CG HIS A 113 -14.192 4.986 6.691 1.00 0.00 C ATOM 1838 ND1 HIS A 113 -14.915 4.015 7.350 1.00 0.00 N ATOM 1839 CD2 HIS A 113 -14.997 6.072 6.627 1.00 0.00 C ATOM 1840 CE1 HIS A 113 -16.105 4.493 7.663 1.00 0.00 C ATOM 1841 NE2 HIS A 113 -16.176 5.739 7.236 1.00 0.00 N ATOM 0 H HIS A 113 -10.442 4.839 5.538 1.00 0.00 H new ATOM 0 HA HIS A 113 -11.901 6.196 7.530 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -12.672 5.332 5.255 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -12.673 3.717 5.936 1.00 0.00 H new ATOM 0 HD1 HIS A 113 -14.583 3.074 7.563 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -14.754 7.024 6.179 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -16.886 3.956 8.180 1.00 0.00 H new ATOM 1850 N GLU A 114 -10.965 3.141 8.249 1.00 0.00 N ATOM 1851 CA GLU A 114 -10.907 2.137 9.309 1.00 0.00 C ATOM 1852 C GLU A 114 -9.639 2.303 10.140 1.00 0.00 C ATOM 1853 O GLU A 114 -9.475 1.655 11.175 1.00 0.00 O ATOM 1854 CB GLU A 114 -10.948 0.732 8.707 1.00 0.00 C ATOM 1855 CG GLU A 114 -12.140 0.489 7.791 1.00 0.00 C ATOM 1856 CD GLU A 114 -13.473 0.679 8.490 1.00 0.00 C ATOM 1857 OE1 GLU A 114 -13.828 -0.164 9.345 1.00 0.00 O ATOM 1858 OE2 GLU A 114 -14.181 1.655 8.173 1.00 0.00 O ATOM 0 H GLU A 114 -10.397 2.923 7.430 1.00 0.00 H new ATOM 0 HA GLU A 114 -11.772 2.276 9.958 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -10.030 0.561 8.145 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -10.968 0.001 9.515 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -12.082 1.168 6.940 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -12.085 -0.525 7.394 1.00 0.00 H new ATOM 1865 N GLN A 115 -8.745 3.170 9.660 1.00 0.00 N ATOM 1866 CA GLN A 115 -7.470 3.449 10.319 1.00 0.00 C ATOM 1867 C GLN A 115 -6.599 2.190 10.381 1.00 0.00 C ATOM 1868 O GLN A 115 -5.771 2.031 11.280 1.00 0.00 O ATOM 1869 CB GLN A 115 -7.704 4.003 11.728 1.00 0.00 C ATOM 1870 CG GLN A 115 -6.628 4.971 12.191 1.00 0.00 C ATOM 1871 CD GLN A 115 -6.603 6.239 11.359 1.00 0.00 C ATOM 1872 OE1 GLN A 115 -5.794 6.244 10.310 1.00 0.00 O flip ATOM 1873 NE2 GLN A 115 -7.296 7.211 11.665 1.00 0.00 N flip ATOM 0 H GLN A 115 -8.887 3.700 8.800 1.00 0.00 H new ATOM 0 HA GLN A 115 -6.943 4.200 9.731 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -8.670 4.508 11.755 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -7.759 3.172 12.431 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -6.798 5.228 13.237 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -5.655 4.483 12.137 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -7.906 7.166 12.481 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -7.260 8.061 11.102 1.00 0.00 H new ATOM 1882 N LYS A 116 -6.763 1.311 9.398 1.00 0.00 N ATOM 1883 CA LYS A 116 -6.044 0.043 9.380 1.00 0.00 C ATOM 1884 C LYS A 116 -5.559 -0.300 7.979 1.00 0.00 C ATOM 1885 O LYS A 116 -6.228 -0.009 6.989 1.00 0.00 O ATOM 1886 CB LYS A 116 -6.939 -1.088 9.889 1.00 0.00 C ATOM 1887 CG LYS A 116 -7.315 -0.977 11.357 1.00 0.00 C ATOM 1888 CD LYS A 116 -8.228 -2.114 11.775 1.00 0.00 C ATOM 1889 CE LYS A 116 -8.554 -2.054 13.257 1.00 0.00 C ATOM 1890 NZ LYS A 116 -9.293 -0.816 13.620 1.00 0.00 N ATOM 0 H LYS A 116 -7.387 1.454 8.604 1.00 0.00 H new ATOM 0 HA LYS A 116 -5.179 0.151 10.035 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -7.851 -1.109 9.293 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -6.430 -2.038 9.727 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -6.413 -0.988 11.968 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -7.811 -0.023 11.537 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -9.151 -2.071 11.197 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -7.752 -3.067 11.545 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -9.150 -2.924 13.532 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -7.630 -2.106 13.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -9.627 -0.886 14.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -8.662 0.005 13.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -10.108 -0.700 12.985 1.00 0.00 H new ATOM 1904 N ARG A 117 -4.388 -0.909 7.906 1.00 0.00 N ATOM 1905 CA ARG A 117 -3.876 -1.437 6.656 1.00 0.00 C ATOM 1906 C ARG A 117 -4.086 -2.946 6.633 1.00 0.00 C ATOM 1907 O ARG A 117 -3.485 -3.678 7.424 1.00 0.00 O ATOM 1908 CB ARG A 117 -2.388 -1.123 6.489 1.00 0.00 C ATOM 1909 CG ARG A 117 -1.933 -1.138 5.036 1.00 0.00 C ATOM 1910 CD ARG A 117 -0.418 -1.159 4.903 1.00 0.00 C ATOM 1911 NE ARG A 117 0.249 -0.264 5.846 1.00 0.00 N ATOM 1912 CZ ARG A 117 0.523 1.018 5.616 1.00 0.00 C ATOM 1913 NH1 ARG A 117 0.126 1.607 4.493 1.00 0.00 N ATOM 1914 NH2 ARG A 117 1.190 1.707 6.527 1.00 0.00 N ATOM 0 H ARG A 117 -3.771 -1.050 8.706 1.00 0.00 H new ATOM 0 HA ARG A 117 -4.414 -0.967 5.833 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -2.179 -0.143 6.919 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -1.804 -1.850 7.054 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -2.351 -2.012 4.536 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -2.328 -0.260 4.525 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -0.059 -2.176 5.059 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -0.144 -0.877 3.886 1.00 0.00 H new ATOM 0 HE ARG A 117 0.525 -0.651 6.748 1.00 0.00 H new ATOM 0 HH11 ARG A 117 -0.395 1.076 3.795 1.00 0.00 H new ATOM 0 HH12 ARG A 117 0.342 2.590 4.329 1.00 0.00 H new ATOM 0 HH21 ARG A 117 1.487 1.255 7.392 1.00 0.00 H new ATOM 0 HH22 ARG A 117 1.407 2.690 6.365 1.00 0.00 H new ATOM 1928 N TYR A 118 -4.948 -3.399 5.747 1.00 0.00 N ATOM 1929 CA TYR A 118 -5.289 -4.807 5.663 1.00 0.00 C ATOM 1930 C TYR A 118 -4.388 -5.532 4.670 1.00 0.00 C ATOM 1931 O TYR A 118 -4.298 -5.151 3.502 1.00 0.00 O ATOM 1932 CB TYR A 118 -6.754 -4.970 5.257 1.00 0.00 C ATOM 1933 CG TYR A 118 -7.732 -4.508 6.312 1.00 0.00 C ATOM 1934 CD1 TYR A 118 -7.962 -5.269 7.451 1.00 0.00 C ATOM 1935 CD2 TYR A 118 -8.432 -3.317 6.166 1.00 0.00 C ATOM 1936 CE1 TYR A 118 -8.859 -4.857 8.416 1.00 0.00 C ATOM 1937 CE2 TYR A 118 -9.331 -2.897 7.127 1.00 0.00 C ATOM 1938 CZ TYR A 118 -9.541 -3.670 8.248 1.00 0.00 C ATOM 1939 OH TYR A 118 -10.439 -3.257 9.203 1.00 0.00 O ATOM 0 H TYR A 118 -5.430 -2.809 5.069 1.00 0.00 H new ATOM 0 HA TYR A 118 -5.138 -5.251 6.647 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -6.932 -4.410 4.339 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -6.945 -6.019 5.032 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -7.430 -6.199 7.584 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -8.271 -2.710 5.287 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -9.026 -5.460 9.296 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -9.866 -1.968 7.000 1.00 0.00 H new ATOM 0 HH TYR A 118 -10.833 -2.401 8.933 1.00 0.00 H new ATOM 1949 N TYR A 119 -3.711 -6.567 5.149 1.00 0.00 N ATOM 1950 CA TYR A 119 -2.866 -7.394 4.303 1.00 0.00 C ATOM 1951 C TYR A 119 -3.579 -8.699 3.974 1.00 0.00 C ATOM 1952 O TYR A 119 -3.693 -9.586 4.823 1.00 0.00 O ATOM 1953 CB TYR A 119 -1.530 -7.702 4.992 1.00 0.00 C ATOM 1954 CG TYR A 119 -0.652 -6.491 5.224 1.00 0.00 C ATOM 1955 CD1 TYR A 119 -0.788 -5.715 6.368 1.00 0.00 C ATOM 1956 CD2 TYR A 119 0.325 -6.134 4.304 1.00 0.00 C ATOM 1957 CE1 TYR A 119 0.020 -4.617 6.585 1.00 0.00 C ATOM 1958 CE2 TYR A 119 1.139 -5.038 4.516 1.00 0.00 C ATOM 1959 CZ TYR A 119 0.982 -4.284 5.659 1.00 0.00 C ATOM 1960 OH TYR A 119 1.786 -3.188 5.871 1.00 0.00 O ATOM 0 H TYR A 119 -3.732 -6.854 6.128 1.00 0.00 H new ATOM 0 HA TYR A 119 -2.665 -6.843 3.384 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -1.731 -8.179 5.951 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -0.981 -8.423 4.387 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -1.538 -5.975 7.100 1.00 0.00 H new ATOM 0 HD2 TYR A 119 0.451 -6.723 3.408 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -0.102 -4.022 7.478 1.00 0.00 H new ATOM 0 HE2 TYR A 119 1.894 -4.774 3.790 1.00 0.00 H new ATOM 0 HH TYR A 119 1.853 -3.013 6.833 1.00 0.00 H new ATOM 1970 N TYR A 120 -4.077 -8.805 2.752 1.00 0.00 N ATOM 1971 CA TYR A 120 -4.752 -10.012 2.303 1.00 0.00 C ATOM 1972 C TYR A 120 -3.868 -10.786 1.339 1.00 0.00 C ATOM 1973 O TYR A 120 -3.175 -10.195 0.506 1.00 0.00 O ATOM 1974 CB TYR A 120 -6.073 -9.680 1.601 1.00 0.00 C ATOM 1975 CG TYR A 120 -7.116 -9.032 2.485 1.00 0.00 C ATOM 1976 CD1 TYR A 120 -7.876 -9.790 3.369 1.00 0.00 C ATOM 1977 CD2 TYR A 120 -7.349 -7.664 2.429 1.00 0.00 C ATOM 1978 CE1 TYR A 120 -8.838 -9.202 4.168 1.00 0.00 C ATOM 1979 CE2 TYR A 120 -8.311 -7.071 3.224 1.00 0.00 C ATOM 1980 CZ TYR A 120 -9.051 -7.844 4.092 1.00 0.00 C ATOM 1981 OH TYR A 120 -10.009 -7.253 4.882 1.00 0.00 O ATOM 0 H TYR A 120 -4.026 -8.066 2.051 1.00 0.00 H new ATOM 0 HA TYR A 120 -4.959 -10.617 3.185 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -5.865 -9.016 0.762 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -6.488 -10.598 1.186 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -7.712 -10.856 3.432 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -6.769 -7.054 1.753 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -9.420 -9.805 4.849 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -8.482 -6.006 3.165 1.00 0.00 H new ATOM 0 HH TYR A 120 -10.030 -6.289 4.705 1.00 0.00 H new ATOM 1991 N THR A 121 -3.889 -12.102 1.450 1.00 0.00 N ATOM 1992 CA THR A 121 -3.207 -12.949 0.488 1.00 0.00 C ATOM 1993 C THR A 121 -4.065 -13.068 -0.772 1.00 0.00 C ATOM 1994 O THR A 121 -5.162 -12.501 -0.834 1.00 0.00 O ATOM 1995 CB THR A 121 -2.912 -14.350 1.072 1.00 0.00 C ATOM 1996 OG1 THR A 121 -2.071 -15.100 0.185 1.00 0.00 O ATOM 1997 CG2 THR A 121 -4.200 -15.120 1.324 1.00 0.00 C ATOM 0 H THR A 121 -4.370 -12.607 2.195 1.00 0.00 H new ATOM 0 HA THR A 121 -2.249 -12.492 0.241 1.00 0.00 H new ATOM 0 HB THR A 121 -2.396 -14.209 2.022 1.00 0.00 H new ATOM 0 HG1 THR A 121 -1.311 -14.547 -0.091 1.00 0.00 H new ATOM 0 HG21 THR A 121 -3.963 -16.101 1.735 1.00 0.00 H new ATOM 0 HG22 THR A 121 -4.820 -14.570 2.032 1.00 0.00 H new ATOM 0 HG23 THR A 121 -4.741 -15.240 0.386 1.00 0.00 H new ATOM 2005 N PHE A 122 -3.580 -13.801 -1.762 1.00 0.00 N ATOM 2006 CA PHE A 122 -4.289 -13.942 -3.029 1.00 0.00 C ATOM 2007 C PHE A 122 -5.658 -14.580 -2.815 1.00 0.00 C ATOM 2008 O PHE A 122 -6.642 -14.190 -3.441 1.00 0.00 O ATOM 2009 CB PHE A 122 -3.468 -14.783 -4.011 1.00 0.00 C ATOM 2010 CG PHE A 122 -4.076 -14.873 -5.385 1.00 0.00 C ATOM 2011 CD1 PHE A 122 -3.894 -13.856 -6.305 1.00 0.00 C ATOM 2012 CD2 PHE A 122 -4.827 -15.978 -5.754 1.00 0.00 C ATOM 2013 CE1 PHE A 122 -4.449 -13.935 -7.568 1.00 0.00 C ATOM 2014 CE2 PHE A 122 -5.386 -16.064 -7.016 1.00 0.00 C ATOM 2015 CZ PHE A 122 -5.196 -15.041 -7.924 1.00 0.00 C ATOM 0 H PHE A 122 -2.697 -14.309 -1.715 1.00 0.00 H new ATOM 0 HA PHE A 122 -4.432 -12.946 -3.449 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -2.468 -14.357 -4.093 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -3.354 -15.789 -3.607 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -3.311 -12.989 -6.033 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -4.977 -16.781 -5.048 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -4.299 -13.133 -8.276 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -5.970 -16.930 -7.291 1.00 0.00 H new ATOM 0 HZ PHE A 122 -5.631 -15.106 -8.911 1.00 0.00 H new ATOM 2025 N ASP A 123 -5.721 -15.538 -1.899 1.00 0.00 N ATOM 2026 CA ASP A 123 -6.952 -16.284 -1.658 1.00 0.00 C ATOM 2027 C ASP A 123 -7.836 -15.571 -0.631 1.00 0.00 C ATOM 2028 O ASP A 123 -8.398 -16.201 0.266 1.00 0.00 O ATOM 2029 CB ASP A 123 -6.621 -17.705 -1.192 1.00 0.00 C ATOM 2030 CG ASP A 123 -7.818 -18.634 -1.264 1.00 0.00 C ATOM 2031 OD1 ASP A 123 -8.436 -18.731 -2.344 1.00 0.00 O ATOM 2032 OD2 ASP A 123 -8.146 -19.272 -0.244 1.00 0.00 O ATOM 0 H ASP A 123 -4.936 -15.817 -1.311 1.00 0.00 H new ATOM 0 HA ASP A 123 -7.509 -16.341 -2.593 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -5.816 -18.107 -1.807 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -6.253 -17.671 -0.167 1.00 0.00 H new ATOM 2037 N ASN A 124 -7.920 -14.243 -0.771 1.00 0.00 N ATOM 2038 CA ASN A 124 -8.826 -13.370 0.007 1.00 0.00 C ATOM 2039 C ASN A 124 -8.754 -13.605 1.518 1.00 0.00 C ATOM 2040 O ASN A 124 -9.666 -13.234 2.256 1.00 0.00 O ATOM 2041 CB ASN A 124 -10.289 -13.489 -0.480 1.00 0.00 C ATOM 2042 CG ASN A 124 -10.941 -14.841 -0.214 1.00 0.00 C ATOM 2043 OD1 ASN A 124 -10.904 -15.740 -1.057 1.00 0.00 O ATOM 2044 ND2 ASN A 124 -11.548 -15.000 0.955 1.00 0.00 N ATOM 0 H ASN A 124 -7.350 -13.728 -1.442 1.00 0.00 H new ATOM 0 HA ASN A 124 -8.472 -12.355 -0.174 1.00 0.00 H new ATOM 0 HB2 ASN A 124 -10.883 -12.713 0.003 1.00 0.00 H new ATOM 0 HB3 ASN A 124 -10.318 -13.291 -1.552 1.00 0.00 H new ATOM 0 HD21 ASN A 124 -12.002 -15.886 1.178 1.00 0.00 H new ATOM 0 HD22 ASN A 124 -11.561 -14.236 1.631 1.00 0.00 H new ATOM 2051 N SER A 125 -7.658 -14.170 1.985 1.00 0.00 N ATOM 2052 CA SER A 125 -7.511 -14.463 3.398 1.00 0.00 C ATOM 2053 C SER A 125 -6.763 -13.335 4.105 1.00 0.00 C ATOM 2054 O SER A 125 -5.729 -12.866 3.620 1.00 0.00 O ATOM 2055 CB SER A 125 -6.772 -15.784 3.572 1.00 0.00 C ATOM 2056 OG SER A 125 -7.390 -16.807 2.807 1.00 0.00 O ATOM 0 H SER A 125 -6.859 -14.435 1.410 1.00 0.00 H new ATOM 0 HA SER A 125 -8.500 -14.546 3.848 1.00 0.00 H new ATOM 0 HB2 SER A 125 -5.733 -15.669 3.263 1.00 0.00 H new ATOM 0 HB3 SER A 125 -6.762 -16.065 4.625 1.00 0.00 H new ATOM 0 HG SER A 125 -7.545 -16.485 1.895 1.00 0.00 H new ATOM 2062 N LEU A 126 -7.300 -12.894 5.235 1.00 0.00 N ATOM 2063 CA LEU A 126 -6.676 -11.839 6.018 1.00 0.00 C ATOM 2064 C LEU A 126 -5.435 -12.367 6.723 1.00 0.00 C ATOM 2065 O LEU A 126 -5.523 -13.233 7.598 1.00 0.00 O ATOM 2066 CB LEU A 126 -7.665 -11.277 7.041 1.00 0.00 C ATOM 2067 CG LEU A 126 -7.107 -10.180 7.955 1.00 0.00 C ATOM 2068 CD1 LEU A 126 -6.668 -8.969 7.145 1.00 0.00 C ATOM 2069 CD2 LEU A 126 -8.137 -9.779 8.998 1.00 0.00 C ATOM 0 H LEU A 126 -8.169 -13.253 5.630 1.00 0.00 H new ATOM 0 HA LEU A 126 -6.380 -11.037 5.342 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -8.528 -10.879 6.507 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -8.025 -12.097 7.662 1.00 0.00 H new ATOM 0 HG LEU A 126 -6.232 -10.580 8.468 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -6.276 -8.205 7.816 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -5.892 -9.265 6.440 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -7.521 -8.568 6.598 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -7.723 -8.999 9.637 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -9.031 -9.403 8.501 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -8.397 -10.646 9.605 1.00 0.00 H new ATOM 2081 N LEU A 127 -4.283 -11.854 6.328 1.00 0.00 N ATOM 2082 CA LEU A 127 -3.029 -12.258 6.933 1.00 0.00 C ATOM 2083 C LEU A 127 -2.695 -11.347 8.104 1.00 0.00 C ATOM 2084 O LEU A 127 -2.619 -11.789 9.246 1.00 0.00 O ATOM 2085 CB LEU A 127 -1.893 -12.229 5.904 1.00 0.00 C ATOM 2086 CG LEU A 127 -2.054 -13.183 4.716 1.00 0.00 C ATOM 2087 CD1 LEU A 127 -0.867 -13.053 3.767 1.00 0.00 C ATOM 2088 CD2 LEU A 127 -2.209 -14.621 5.201 1.00 0.00 C ATOM 0 H LEU A 127 -4.191 -11.156 5.590 1.00 0.00 H new ATOM 0 HA LEU A 127 -3.138 -13.280 7.296 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -1.799 -11.213 5.521 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -0.959 -12.465 6.413 1.00 0.00 H new ATOM 0 HG LEU A 127 -2.958 -12.911 4.171 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -0.995 -13.737 2.928 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -0.808 -12.030 3.396 1.00 0.00 H new ATOM 0 HD13 LEU A 127 0.052 -13.299 4.298 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -2.322 -15.284 4.343 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -1.325 -14.911 5.769 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -3.091 -14.697 5.837 1.00 0.00 H new ATOM 2100 N PHE A 128 -2.529 -10.064 7.829 1.00 0.00 N ATOM 2101 CA PHE A 128 -2.090 -9.135 8.853 1.00 0.00 C ATOM 2102 C PHE A 128 -2.945 -7.874 8.839 1.00 0.00 C ATOM 2103 O PHE A 128 -3.448 -7.464 7.793 1.00 0.00 O ATOM 2104 CB PHE A 128 -0.616 -8.786 8.632 1.00 0.00 C ATOM 2105 CG PHE A 128 0.057 -8.189 9.832 1.00 0.00 C ATOM 2106 CD1 PHE A 128 0.548 -9.006 10.837 1.00 0.00 C ATOM 2107 CD2 PHE A 128 0.206 -6.817 9.953 1.00 0.00 C ATOM 2108 CE1 PHE A 128 1.177 -8.466 11.941 1.00 0.00 C ATOM 2109 CE2 PHE A 128 0.833 -6.270 11.056 1.00 0.00 C ATOM 2110 CZ PHE A 128 1.320 -7.096 12.052 1.00 0.00 C ATOM 0 H PHE A 128 -2.690 -9.646 6.913 1.00 0.00 H new ATOM 0 HA PHE A 128 -2.203 -9.607 9.829 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -0.080 -9.689 8.339 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -0.540 -8.086 7.800 1.00 0.00 H new ATOM 0 HD1 PHE A 128 0.438 -10.077 10.756 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -0.172 -6.168 9.177 1.00 0.00 H new ATOM 0 HE1 PHE A 128 1.557 -9.114 12.717 1.00 0.00 H new ATOM 0 HE2 PHE A 128 0.943 -5.199 11.140 1.00 0.00 H new ATOM 0 HZ PHE A 128 1.811 -6.671 12.915 1.00 0.00 H new ATOM 2120 N THR A 129 -3.129 -7.283 10.007 1.00 0.00 N ATOM 2121 CA THR A 129 -3.848 -6.029 10.126 1.00 0.00 C ATOM 2122 C THR A 129 -2.963 -4.992 10.811 1.00 0.00 C ATOM 2123 O THR A 129 -2.664 -5.107 11.998 1.00 0.00 O ATOM 2124 CB THR A 129 -5.151 -6.215 10.927 1.00 0.00 C ATOM 2125 OG1 THR A 129 -5.887 -7.324 10.397 1.00 0.00 O ATOM 2126 CG2 THR A 129 -6.011 -4.960 10.872 1.00 0.00 C ATOM 0 H THR A 129 -2.787 -7.656 10.892 1.00 0.00 H new ATOM 0 HA THR A 129 -4.108 -5.684 9.125 1.00 0.00 H new ATOM 0 HB THR A 129 -4.889 -6.407 11.968 1.00 0.00 H new ATOM 0 HG1 THR A 129 -6.714 -7.442 10.909 1.00 0.00 H new ATOM 0 HG21 THR A 129 -6.924 -5.119 11.446 1.00 0.00 H new ATOM 0 HG22 THR A 129 -5.458 -4.121 11.295 1.00 0.00 H new ATOM 0 HG23 THR A 129 -6.267 -4.740 9.836 1.00 0.00 H new ATOM 2134 N GLU A 130 -2.526 -4.004 10.051 1.00 0.00 N ATOM 2135 CA GLU A 130 -1.627 -2.986 10.568 1.00 0.00 C ATOM 2136 C GLU A 130 -2.405 -1.729 10.929 1.00 0.00 C ATOM 2137 O GLU A 130 -2.852 -0.991 10.054 1.00 0.00 O ATOM 2138 CB GLU A 130 -0.559 -2.669 9.526 1.00 0.00 C ATOM 2139 CG GLU A 130 0.517 -1.709 10.001 1.00 0.00 C ATOM 2140 CD GLU A 130 1.499 -1.372 8.900 1.00 0.00 C ATOM 2141 OE1 GLU A 130 2.337 -2.237 8.559 1.00 0.00 O ATOM 2142 OE2 GLU A 130 1.424 -0.248 8.363 1.00 0.00 O ATOM 0 H GLU A 130 -2.780 -3.884 9.070 1.00 0.00 H new ATOM 0 HA GLU A 130 -1.143 -3.361 11.470 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -0.086 -3.600 9.214 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -1.042 -2.246 8.645 1.00 0.00 H new ATOM 0 HG2 GLU A 130 0.051 -0.793 10.365 1.00 0.00 H new ATOM 0 HG3 GLU A 130 1.052 -2.151 10.842 1.00 0.00 H new ATOM 2149 N SER A 131 -2.589 -1.503 12.214 1.00 0.00 N ATOM 2150 CA SER A 131 -3.334 -0.348 12.682 1.00 0.00 C ATOM 2151 C SER A 131 -2.463 0.907 12.634 1.00 0.00 C ATOM 2152 O SER A 131 -1.533 1.059 13.428 1.00 0.00 O ATOM 2153 CB SER A 131 -3.828 -0.593 14.108 1.00 0.00 C ATOM 2154 OG SER A 131 -4.390 -1.889 14.229 1.00 0.00 O ATOM 0 H SER A 131 -2.232 -2.105 12.956 1.00 0.00 H new ATOM 0 HA SER A 131 -4.193 -0.196 12.028 1.00 0.00 H new ATOM 0 HB2 SER A 131 -3.000 -0.484 14.809 1.00 0.00 H new ATOM 0 HB3 SER A 131 -4.572 0.158 14.374 1.00 0.00 H new ATOM 0 HG SER A 131 -4.699 -2.027 15.149 1.00 0.00 H new ATOM 2160 N ILE A 132 -2.758 1.803 11.697 1.00 0.00 N ATOM 2161 CA ILE A 132 -2.001 3.037 11.566 1.00 0.00 C ATOM 2162 C ILE A 132 -2.465 4.061 12.597 1.00 0.00 C ATOM 2163 O ILE A 132 -3.289 4.931 12.316 1.00 0.00 O ATOM 2164 CB ILE A 132 -2.086 3.624 10.136 1.00 0.00 C ATOM 2165 CG1 ILE A 132 -3.538 3.660 9.646 1.00 0.00 C ATOM 2166 CG2 ILE A 132 -1.222 2.811 9.185 1.00 0.00 C ATOM 2167 CD1 ILE A 132 -3.713 4.318 8.292 1.00 0.00 C ATOM 0 H ILE A 132 -3.514 1.696 11.021 1.00 0.00 H new ATOM 0 HA ILE A 132 -0.954 2.797 11.754 1.00 0.00 H new ATOM 0 HB ILE A 132 -1.713 4.648 10.161 1.00 0.00 H new ATOM 0 HG12 ILE A 132 -3.919 2.640 9.595 1.00 0.00 H new ATOM 0 HG13 ILE A 132 -4.145 4.192 10.379 1.00 0.00 H new ATOM 0 HG21 ILE A 132 -1.289 3.232 8.182 1.00 0.00 H new ATOM 0 HG22 ILE A 132 -0.186 2.838 9.522 1.00 0.00 H new ATOM 0 HG23 ILE A 132 -1.571 1.779 9.169 1.00 0.00 H new ATOM 0 HD11 ILE A 132 -4.767 4.305 8.014 1.00 0.00 H new ATOM 0 HD12 ILE A 132 -3.364 5.349 8.341 1.00 0.00 H new ATOM 0 HD13 ILE A 132 -3.134 3.774 7.546 1.00 0.00 H new ATOM 2179 N GLN A 133 -1.953 3.917 13.810 1.00 0.00 N ATOM 2180 CA GLN A 133 -2.331 4.781 14.915 1.00 0.00 C ATOM 2181 C GLN A 133 -1.382 5.968 15.028 1.00 0.00 C ATOM 2182 O GLN A 133 -0.331 6.007 14.386 1.00 0.00 O ATOM 2183 CB GLN A 133 -2.333 3.995 16.231 1.00 0.00 C ATOM 2184 CG GLN A 133 -0.998 3.326 16.543 1.00 0.00 C ATOM 2185 CD GLN A 133 -0.930 2.757 17.948 1.00 0.00 C ATOM 2186 OE1 GLN A 133 -2.070 2.362 18.489 1.00 0.00 O flip ATOM 2187 NE2 GLN A 133 0.143 2.683 18.547 1.00 0.00 N flip ATOM 0 H GLN A 133 -1.268 3.202 14.054 1.00 0.00 H new ATOM 0 HA GLN A 133 -3.336 5.155 14.719 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -2.592 4.669 17.047 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -3.111 3.233 16.188 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -0.823 2.525 15.825 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -0.196 4.052 16.412 1.00 0.00 H new ATOM 0 HE21 GLN A 133 1.002 2.998 18.096 1.00 0.00 H new ATOM 0 HE22 GLN A 133 0.173 2.307 19.495 1.00 0.00 H new TER 2196 GLN A 133