USER MOD reduce.3.24.130724 H: found=0, std=0, add=880, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 881 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 42 TYR OH : rot 75:sc= 0.574 USER MOD Set 1.2: A 90 MET CE :methyl -140:sc= -4.06 (180deg=-7.14!) USER MOD Set 2.1: A 33 ASN : amide:sc= -1.33 K(o=-3.8,f=-6.2!) USER MOD Set 2.2: A 37 ASN : amide:sc= -2.46 K(o=-3.8,f=-5.2!) USER MOD Set 3.1: A 18 CYS SG : rot -16:sc= -2.92 USER MOD Set 3.2: A 23 MET CE :methyl -179:sc= -18.9! (180deg=-16.3!) USER MOD Set 4.1: A 11 MET CE :methyl -127:sc= -4.46! (180deg=-5.77!) USER MOD Set 4.2: A 35 LYS NZ :NH3+ 136:sc= 1.4 (180deg=-0.353) USER MOD Single : A 3 ASN : amide:sc= -0.0264 X(o=-0.026,f=-0.19) USER MOD Single : A 4 ASN : amide:sc= -0.409 X(o=-0.41,f=-0.2) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -151:sc= -0.328 (180deg=-1.02) USER MOD Single : A 13 SER OG : rot -140:sc= -1.94! USER MOD Single : A 17 ASN : amide:sc= -4.45! C(o=-4.4!,f=-4.8!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.689 X(o=-0.69,f=-0.68) USER MOD Single : A 26 GLN : amide:sc= -0.188 K(o=-0.19,f=-1.2!) USER MOD Single : A 27 SER OG : rot 74:sc= 0.534 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -104:sc= -15.5! (180deg=-19.2!) USER MOD Single : A 46 GLN : amide:sc= -2.91 K(o=-2.9,f=-9!) USER MOD Single : A 47 LYS NZ :NH3+ 169:sc= 0.179 (180deg=0.0968) USER MOD Single : A 53 GLN : amide:sc= -0.203 K(o=-0.2,f=-1) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.237 USER MOD Single : A 57 THR OG1 : rot 162:sc= 2.52 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 GLN : amide:sc= -2.27 K(o=-2.3,f=-4.3!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -173:sc= -7.43! (180deg=-7.52!) USER MOD Single : A 65 GLN : amide:sc= -0.0559 K(o=-0.056,f=-0.68) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot -66:sc= 0.951 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN :FLIP amide:sc=-0.00151 F(o=-1.5,f=-0.0015) USER MOD Single : A 74 GLN : amide:sc= -0.312 X(o=-0.31,f=-0.27) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot -130:sc= -1.9! USER MOD Single : A 86 TYR OH : rot 180:sc= -0.712 USER MOD Single : A 89 HIS : no HD1:sc= -0.36 X(o=-0.36,f=-0.12) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -0.0886 X(o=-0.089,f=-0.32) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.313 X(o=-0.31,f=-0.74) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 3 4.332 -1.148 21.208 1.00 0.00 N ATOM 2 CA ASN A 3 4.912 -0.257 20.210 1.00 0.00 C ATOM 3 C ASN A 3 5.191 -1.005 18.910 1.00 0.00 C ATOM 4 O ASN A 3 4.895 -0.510 17.822 1.00 0.00 O ATOM 5 CB ASN A 3 6.205 0.365 20.741 1.00 0.00 C ATOM 6 CG ASN A 3 6.452 1.751 20.179 1.00 0.00 C ATOM 7 OD1 ASN A 3 5.575 2.615 20.216 1.00 0.00 O ATOM 8 ND2 ASN A 3 7.652 1.972 19.654 1.00 0.00 N ATOM 0 HA ASN A 3 4.193 0.536 20.005 1.00 0.00 H new ATOM 0 HB2 ASN A 3 6.159 0.420 21.829 1.00 0.00 H new ATOM 0 HB3 ASN A 3 7.046 -0.281 20.490 1.00 0.00 H new ATOM 0 HD21 ASN A 3 7.876 2.886 19.261 1.00 0.00 H new ATOM 0 HD22 ASN A 3 8.349 1.228 19.644 1.00 0.00 H new ATOM 15 N ASN A 4 5.761 -2.199 19.031 1.00 0.00 N ATOM 16 CA ASN A 4 6.078 -3.016 17.865 1.00 0.00 C ATOM 17 C ASN A 4 4.906 -3.919 17.484 1.00 0.00 C ATOM 18 O ASN A 4 5.037 -4.788 16.622 1.00 0.00 O ATOM 19 CB ASN A 4 7.317 -3.867 18.139 1.00 0.00 C ATOM 20 CG ASN A 4 8.189 -4.034 16.910 1.00 0.00 C ATOM 21 OD1 ASN A 4 8.026 -4.983 16.144 1.00 0.00 O ATOM 22 ND2 ASN A 4 9.122 -3.109 16.717 1.00 0.00 N ATOM 0 H ASN A 4 6.013 -2.623 19.924 1.00 0.00 H new ATOM 0 HA ASN A 4 6.277 -2.343 17.031 1.00 0.00 H new ATOM 0 HB2 ASN A 4 7.901 -3.406 18.936 1.00 0.00 H new ATOM 0 HB3 ASN A 4 7.008 -4.849 18.497 1.00 0.00 H new ATOM 0 HD21 ASN A 4 9.739 -3.168 15.907 1.00 0.00 H new ATOM 0 HD22 ASN A 4 9.221 -2.339 17.379 1.00 0.00 H new ATOM 29 N LYS A 5 3.764 -3.709 18.129 1.00 0.00 N ATOM 30 CA LYS A 5 2.574 -4.506 17.855 1.00 0.00 C ATOM 31 C LYS A 5 1.814 -3.959 16.649 1.00 0.00 C ATOM 32 O LYS A 5 1.119 -4.701 15.956 1.00 0.00 O ATOM 33 CB LYS A 5 1.659 -4.531 19.083 1.00 0.00 C ATOM 34 CG LYS A 5 1.661 -5.864 19.814 1.00 0.00 C ATOM 35 CD LYS A 5 0.627 -6.818 19.235 1.00 0.00 C ATOM 36 CE LYS A 5 0.920 -8.260 19.619 1.00 0.00 C ATOM 37 NZ LYS A 5 -0.121 -8.815 20.528 1.00 0.00 N ATOM 0 H LYS A 5 3.637 -2.994 18.845 1.00 0.00 H new ATOM 0 HA LYS A 5 2.893 -5.523 17.626 1.00 0.00 H new ATOM 0 HB2 LYS A 5 1.969 -3.747 19.773 1.00 0.00 H new ATOM 0 HB3 LYS A 5 0.641 -4.298 18.772 1.00 0.00 H new ATOM 0 HG2 LYS A 5 2.651 -6.315 19.748 1.00 0.00 H new ATOM 0 HG3 LYS A 5 1.455 -5.701 20.872 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -0.365 -6.540 19.591 1.00 0.00 H new ATOM 0 HD3 LYS A 5 0.613 -6.725 18.149 1.00 0.00 H new ATOM 0 HE2 LYS A 5 0.978 -8.871 18.718 1.00 0.00 H new ATOM 0 HE3 LYS A 5 1.894 -8.315 20.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 0.115 -9.799 20.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -0.160 -8.248 21.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.047 -8.786 20.055 1.00 0.00 H new ATOM 51 N GLN A 6 1.951 -2.657 16.406 1.00 0.00 N ATOM 52 CA GLN A 6 1.275 -2.004 15.285 1.00 0.00 C ATOM 53 C GLN A 6 1.398 -2.826 14.003 1.00 0.00 C ATOM 54 O GLN A 6 0.409 -3.061 13.309 1.00 0.00 O ATOM 55 CB GLN A 6 1.853 -0.605 15.062 1.00 0.00 C ATOM 56 CG GLN A 6 1.158 0.477 15.873 1.00 0.00 C ATOM 57 CD GLN A 6 1.841 1.825 15.752 1.00 0.00 C ATOM 58 OE1 GLN A 6 1.674 2.532 14.758 1.00 0.00 O ATOM 59 NE2 GLN A 6 2.616 2.189 16.767 1.00 0.00 N ATOM 0 H GLN A 6 2.525 -2.032 16.971 1.00 0.00 H new ATOM 0 HA GLN A 6 0.217 -1.924 15.536 1.00 0.00 H new ATOM 0 HB2 GLN A 6 2.913 -0.614 15.317 1.00 0.00 H new ATOM 0 HB3 GLN A 6 1.782 -0.356 14.003 1.00 0.00 H new ATOM 0 HG2 GLN A 6 0.124 0.567 15.541 1.00 0.00 H new ATOM 0 HG3 GLN A 6 1.132 0.180 16.921 1.00 0.00 H new ATOM 0 HE21 GLN A 6 2.726 1.572 17.572 1.00 0.00 H new ATOM 0 HE22 GLN A 6 3.101 3.086 16.742 1.00 0.00 H new ATOM 68 N TYR A 7 2.616 -3.261 13.698 1.00 0.00 N ATOM 69 CA TYR A 7 2.865 -4.057 12.504 1.00 0.00 C ATOM 70 C TYR A 7 2.044 -5.338 12.527 1.00 0.00 C ATOM 71 O TYR A 7 1.237 -5.581 11.634 1.00 0.00 O ATOM 72 CB TYR A 7 4.351 -4.396 12.391 1.00 0.00 C ATOM 73 CG TYR A 7 5.271 -3.252 12.758 1.00 0.00 C ATOM 74 CD1 TYR A 7 5.320 -2.100 11.984 1.00 0.00 C ATOM 75 CD2 TYR A 7 6.089 -3.326 13.879 1.00 0.00 C ATOM 76 CE1 TYR A 7 6.159 -1.053 12.317 1.00 0.00 C ATOM 77 CE2 TYR A 7 6.930 -2.283 14.218 1.00 0.00 C ATOM 78 CZ TYR A 7 6.961 -1.150 13.434 1.00 0.00 C ATOM 79 OH TYR A 7 7.797 -0.109 13.769 1.00 0.00 O ATOM 0 H TYR A 7 3.445 -3.075 14.262 1.00 0.00 H new ATOM 0 HA TYR A 7 2.567 -3.468 11.637 1.00 0.00 H new ATOM 0 HB2 TYR A 7 4.570 -5.246 13.037 1.00 0.00 H new ATOM 0 HB3 TYR A 7 4.566 -4.708 11.369 1.00 0.00 H new ATOM 0 HD1 TYR A 7 4.693 -2.021 11.108 1.00 0.00 H new ATOM 0 HD2 TYR A 7 6.067 -4.213 14.495 1.00 0.00 H new ATOM 0 HE1 TYR A 7 6.186 -0.163 11.705 1.00 0.00 H new ATOM 0 HE2 TYR A 7 7.560 -2.355 15.093 1.00 0.00 H new ATOM 0 HH TYR A 7 8.293 -0.337 14.583 1.00 0.00 H new ATOM 89 N GLU A 8 2.256 -6.153 13.557 1.00 0.00 N ATOM 90 CA GLU A 8 1.536 -7.417 13.702 1.00 0.00 C ATOM 91 C GLU A 8 0.051 -7.253 13.385 1.00 0.00 C ATOM 92 O GLU A 8 -0.596 -8.185 12.908 1.00 0.00 O ATOM 93 CB GLU A 8 1.713 -7.966 15.119 1.00 0.00 C ATOM 94 CG GLU A 8 2.834 -8.986 15.237 1.00 0.00 C ATOM 95 CD GLU A 8 4.073 -8.418 15.901 1.00 0.00 C ATOM 96 OE1 GLU A 8 3.926 -7.676 16.896 1.00 0.00 O ATOM 97 OE2 GLU A 8 5.189 -8.713 15.426 1.00 0.00 O ATOM 0 H GLU A 8 2.922 -5.961 14.305 1.00 0.00 H new ATOM 0 HA GLU A 8 1.956 -8.125 12.987 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.913 -7.138 15.799 1.00 0.00 H new ATOM 0 HB3 GLU A 8 0.779 -8.425 15.442 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.481 -9.844 15.809 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.094 -9.351 14.243 1.00 0.00 H new ATOM 104 N LEU A 9 -0.483 -6.062 13.642 1.00 0.00 N ATOM 105 CA LEU A 9 -1.889 -5.787 13.371 1.00 0.00 C ATOM 106 C LEU A 9 -2.154 -5.781 11.870 1.00 0.00 C ATOM 107 O LEU A 9 -2.756 -6.713 11.332 1.00 0.00 O ATOM 108 CB LEU A 9 -2.306 -4.446 13.979 1.00 0.00 C ATOM 109 CG LEU A 9 -2.071 -4.311 15.484 1.00 0.00 C ATOM 110 CD1 LEU A 9 -2.666 -3.011 16.002 1.00 0.00 C ATOM 111 CD2 LEU A 9 -2.659 -5.501 16.227 1.00 0.00 C ATOM 0 H LEU A 9 0.034 -5.276 14.036 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.482 -6.578 13.830 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -1.762 -3.650 13.470 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.365 -4.288 13.777 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.996 -4.293 15.663 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.489 -2.932 17.075 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.197 -2.168 15.494 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.739 -3.000 15.809 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.481 -5.386 17.296 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.732 -5.552 16.041 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.186 -6.418 15.877 1.00 0.00 H new ATOM 123 N PHE A 10 -1.700 -4.730 11.194 1.00 0.00 N ATOM 124 CA PHE A 10 -1.894 -4.619 9.759 1.00 0.00 C ATOM 125 C PHE A 10 -1.213 -5.775 9.034 1.00 0.00 C ATOM 126 O PHE A 10 -1.705 -6.258 8.014 1.00 0.00 O ATOM 127 CB PHE A 10 -1.384 -3.263 9.249 1.00 0.00 C ATOM 128 CG PHE A 10 0.113 -3.146 9.103 1.00 0.00 C ATOM 129 CD1 PHE A 10 0.803 -3.920 8.183 1.00 0.00 C ATOM 130 CD2 PHE A 10 0.825 -2.241 9.874 1.00 0.00 C ATOM 131 CE1 PHE A 10 2.170 -3.799 8.038 1.00 0.00 C ATOM 132 CE2 PHE A 10 2.194 -2.112 9.730 1.00 0.00 C ATOM 133 CZ PHE A 10 2.867 -2.893 8.812 1.00 0.00 C ATOM 0 H PHE A 10 -1.198 -3.949 11.617 1.00 0.00 H new ATOM 0 HA PHE A 10 -2.962 -4.676 9.548 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.843 -3.063 8.281 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -1.727 -2.485 9.931 1.00 0.00 H new ATOM 0 HD1 PHE A 10 0.263 -4.628 7.571 1.00 0.00 H new ATOM 0 HD2 PHE A 10 0.304 -1.629 10.596 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.694 -4.412 7.320 1.00 0.00 H new ATOM 0 HE2 PHE A 10 2.736 -1.401 10.335 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.937 -2.795 8.700 1.00 0.00 H new ATOM 143 N MET A 11 -0.082 -6.219 9.574 1.00 0.00 N ATOM 144 CA MET A 11 0.666 -7.326 8.987 1.00 0.00 C ATOM 145 C MET A 11 -0.221 -8.557 8.860 1.00 0.00 C ATOM 146 O MET A 11 -0.387 -9.104 7.770 1.00 0.00 O ATOM 147 CB MET A 11 1.898 -7.653 9.832 1.00 0.00 C ATOM 148 CG MET A 11 3.071 -6.719 9.581 1.00 0.00 C ATOM 149 SD MET A 11 4.611 -7.603 9.263 1.00 0.00 S ATOM 150 CE MET A 11 4.133 -8.638 7.881 1.00 0.00 C ATOM 0 H MET A 11 0.337 -5.829 10.418 1.00 0.00 H new ATOM 0 HA MET A 11 0.996 -7.025 7.993 1.00 0.00 H new ATOM 0 HB2 MET A 11 1.627 -7.608 10.887 1.00 0.00 H new ATOM 0 HB3 MET A 11 2.209 -8.677 9.626 1.00 0.00 H new ATOM 0 HG2 MET A 11 2.843 -6.077 8.730 1.00 0.00 H new ATOM 0 HG3 MET A 11 3.203 -6.068 10.445 1.00 0.00 H new ATOM 0 HE1 MET A 11 4.375 -9.677 8.104 1.00 0.00 H new ATOM 0 HE2 MET A 11 3.061 -8.544 7.710 1.00 0.00 H new ATOM 0 HE3 MET A 11 4.672 -8.324 6.987 1.00 0.00 H new ATOM 160 N LYS A 12 -0.806 -8.979 9.979 1.00 0.00 N ATOM 161 CA LYS A 12 -1.694 -10.135 9.979 1.00 0.00 C ATOM 162 C LYS A 12 -2.758 -9.969 8.901 1.00 0.00 C ATOM 163 O LYS A 12 -3.220 -10.943 8.307 1.00 0.00 O ATOM 164 CB LYS A 12 -2.353 -10.306 11.349 1.00 0.00 C ATOM 165 CG LYS A 12 -1.392 -10.766 12.432 1.00 0.00 C ATOM 166 CD LYS A 12 -1.242 -12.279 12.440 1.00 0.00 C ATOM 167 CE LYS A 12 0.052 -12.706 13.111 1.00 0.00 C ATOM 168 NZ LYS A 12 1.245 -12.112 12.447 1.00 0.00 N ATOM 0 H LYS A 12 -0.681 -8.540 10.891 1.00 0.00 H new ATOM 0 HA LYS A 12 -1.106 -11.028 9.766 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -2.799 -9.358 11.649 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -3.165 -11.028 11.265 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -0.417 -10.304 12.275 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -1.751 -10.430 13.405 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -2.088 -12.727 12.961 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -1.263 -12.653 11.417 1.00 0.00 H new ATOM 0 HE2 LYS A 12 0.033 -12.407 14.159 1.00 0.00 H new ATOM 0 HE3 LYS A 12 0.129 -13.793 13.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 2.060 -12.747 12.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 1.050 -11.983 11.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 1.459 -11.190 12.878 1.00 0.00 H new ATOM 182 N SER A 13 -3.127 -8.716 8.647 1.00 0.00 N ATOM 183 CA SER A 13 -4.120 -8.400 7.631 1.00 0.00 C ATOM 184 C SER A 13 -3.582 -8.741 6.245 1.00 0.00 C ATOM 185 O SER A 13 -4.191 -9.515 5.506 1.00 0.00 O ATOM 186 CB SER A 13 -4.496 -6.920 7.704 1.00 0.00 C ATOM 187 OG SER A 13 -4.140 -6.366 8.958 1.00 0.00 O ATOM 0 H SER A 13 -2.750 -7.903 9.134 1.00 0.00 H new ATOM 0 HA SER A 13 -5.013 -8.997 7.815 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.994 -6.374 6.906 1.00 0.00 H new ATOM 0 HB3 SER A 13 -5.568 -6.805 7.543 1.00 0.00 H new ATOM 0 HG SER A 13 -4.845 -5.755 9.258 1.00 0.00 H new ATOM 193 N LEU A 14 -2.429 -8.170 5.902 1.00 0.00 N ATOM 194 CA LEU A 14 -1.805 -8.426 4.616 1.00 0.00 C ATOM 195 C LEU A 14 -1.477 -9.911 4.463 1.00 0.00 C ATOM 196 O LEU A 14 -1.898 -10.554 3.504 1.00 0.00 O ATOM 197 CB LEU A 14 -0.510 -7.623 4.488 1.00 0.00 C ATOM 198 CG LEU A 14 0.465 -8.117 3.417 1.00 0.00 C ATOM 199 CD1 LEU A 14 1.373 -9.192 3.982 1.00 0.00 C ATOM 200 CD2 LEU A 14 -0.265 -8.650 2.198 1.00 0.00 C ATOM 0 H LEU A 14 -1.911 -7.527 6.501 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.506 -8.126 3.837 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.765 -6.586 4.272 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.000 -7.632 5.451 1.00 0.00 H new ATOM 0 HG LEU A 14 1.066 -7.263 3.105 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.060 -9.532 3.207 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.942 -8.785 4.818 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.771 -10.032 4.327 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.461 -8.991 1.460 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.903 -9.483 2.492 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.877 -7.859 1.766 1.00 0.00 H new ATOM 212 N ILE A 15 -0.685 -10.439 5.400 1.00 0.00 N ATOM 213 CA ILE A 15 -0.265 -11.838 5.346 1.00 0.00 C ATOM 214 C ILE A 15 -1.442 -12.762 5.079 1.00 0.00 C ATOM 215 O ILE A 15 -1.302 -13.781 4.408 1.00 0.00 O ATOM 216 CB ILE A 15 0.455 -12.295 6.629 1.00 0.00 C ATOM 217 CG1 ILE A 15 1.535 -11.290 7.038 1.00 0.00 C ATOM 218 CG2 ILE A 15 1.074 -13.667 6.405 1.00 0.00 C ATOM 219 CD1 ILE A 15 1.835 -11.299 8.521 1.00 0.00 C ATOM 0 H ILE A 15 -0.324 -9.920 6.201 1.00 0.00 H new ATOM 0 HA ILE A 15 0.443 -11.901 4.519 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.275 -12.353 7.436 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.451 -11.508 6.488 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.219 -10.289 6.745 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.583 -13.989 7.313 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.291 -14.383 6.154 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.792 -13.613 5.587 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.609 -10.563 8.740 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.931 -11.051 9.077 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.182 -12.289 8.816 1.00 0.00 H new ATOM 231 N GLU A 16 -2.613 -12.398 5.577 1.00 0.00 N ATOM 232 CA GLU A 16 -3.792 -13.197 5.343 1.00 0.00 C ATOM 233 C GLU A 16 -4.035 -13.284 3.840 1.00 0.00 C ATOM 234 O GLU A 16 -4.424 -14.322 3.314 1.00 0.00 O ATOM 235 CB GLU A 16 -4.987 -12.563 6.048 1.00 0.00 C ATOM 236 CG GLU A 16 -5.811 -13.548 6.855 1.00 0.00 C ATOM 237 CD GLU A 16 -7.303 -13.365 6.657 1.00 0.00 C ATOM 238 OE1 GLU A 16 -7.790 -13.624 5.536 1.00 0.00 O ATOM 239 OE2 GLU A 16 -7.985 -12.964 7.624 1.00 0.00 O ATOM 0 H GLU A 16 -2.766 -11.561 6.140 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.653 -14.202 5.741 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -4.631 -11.773 6.709 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -5.628 -12.090 5.304 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.533 -14.564 6.573 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.573 -13.434 7.912 1.00 0.00 H new ATOM 246 N ASN A 17 -3.775 -12.168 3.166 1.00 0.00 N ATOM 247 CA ASN A 17 -3.939 -12.059 1.722 1.00 0.00 C ATOM 248 C ASN A 17 -3.008 -12.990 0.963 1.00 0.00 C ATOM 249 O ASN A 17 -3.461 -13.801 0.159 1.00 0.00 O ATOM 250 CB ASN A 17 -3.694 -10.626 1.294 1.00 0.00 C ATOM 251 CG ASN A 17 -4.046 -10.389 -0.161 1.00 0.00 C ATOM 252 OD1 ASN A 17 -3.782 -11.230 -1.020 1.00 0.00 O ATOM 253 ND2 ASN A 17 -4.645 -9.241 -0.445 1.00 0.00 N ATOM 0 H ASN A 17 -3.443 -11.311 3.609 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.960 -12.356 1.481 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -4.283 -9.957 1.921 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -2.646 -10.375 1.457 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.906 -9.026 -1.407 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -4.845 -8.572 0.299 1.00 0.00 H new ATOM 260 N CYS A 18 -1.706 -12.882 1.207 1.00 0.00 N ATOM 261 CA CYS A 18 -0.754 -13.744 0.519 1.00 0.00 C ATOM 262 C CYS A 18 -1.185 -15.200 0.660 1.00 0.00 C ATOM 263 O CYS A 18 -1.167 -15.957 -0.306 1.00 0.00 O ATOM 264 CB CYS A 18 0.669 -13.530 1.052 1.00 0.00 C ATOM 265 SG CYS A 18 0.890 -13.920 2.799 1.00 0.00 S ATOM 0 H CYS A 18 -1.292 -12.219 1.863 1.00 0.00 H new ATOM 0 HA CYS A 18 -0.744 -13.484 -0.540 1.00 0.00 H new ATOM 0 HB2 CYS A 18 1.356 -14.142 0.468 1.00 0.00 H new ATOM 0 HB3 CYS A 18 0.950 -12.490 0.888 1.00 0.00 H new ATOM 0 HG CYS A 18 -0.272 -13.990 3.378 1.00 0.00 H new ATOM 271 N LYS A 19 -1.602 -15.583 1.862 1.00 0.00 N ATOM 272 CA LYS A 19 -2.061 -16.945 2.104 1.00 0.00 C ATOM 273 C LYS A 19 -3.442 -17.173 1.491 1.00 0.00 C ATOM 274 O LYS A 19 -3.925 -18.305 1.442 1.00 0.00 O ATOM 275 CB LYS A 19 -2.091 -17.246 3.605 1.00 0.00 C ATOM 276 CG LYS A 19 -3.142 -16.459 4.369 1.00 0.00 C ATOM 277 CD LYS A 19 -3.376 -17.042 5.753 1.00 0.00 C ATOM 278 CE LYS A 19 -2.206 -16.761 6.681 1.00 0.00 C ATOM 279 NZ LYS A 19 -2.232 -17.634 7.887 1.00 0.00 N ATOM 0 H LYS A 19 -1.632 -14.973 2.679 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.357 -17.626 1.626 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.273 -18.311 3.749 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.110 -17.030 4.029 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.826 -15.420 4.459 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.077 -16.460 3.809 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.287 -16.621 6.177 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.529 -18.118 5.674 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.271 -16.914 6.142 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.230 -15.716 6.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.418 -17.411 8.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.113 -17.470 8.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -2.184 -18.631 7.595 1.00 0.00 H new ATOM 293 N LYS A 20 -4.075 -16.098 1.022 1.00 0.00 N ATOM 294 CA LYS A 20 -5.395 -16.206 0.415 1.00 0.00 C ATOM 295 C LYS A 20 -5.304 -16.744 -1.006 1.00 0.00 C ATOM 296 O LYS A 20 -5.943 -17.740 -1.345 1.00 0.00 O ATOM 297 CB LYS A 20 -6.125 -14.851 0.393 1.00 0.00 C ATOM 298 CG LYS A 20 -6.503 -14.306 1.765 1.00 0.00 C ATOM 299 CD LYS A 20 -8.000 -14.057 1.875 1.00 0.00 C ATOM 300 CE LYS A 20 -8.295 -12.732 2.560 1.00 0.00 C ATOM 301 NZ LYS A 20 -9.734 -12.602 2.921 1.00 0.00 N ATOM 0 H LYS A 20 -3.696 -15.151 1.051 1.00 0.00 H new ATOM 0 HA LYS A 20 -5.965 -16.902 1.030 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.491 -14.121 -0.110 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.031 -14.952 -0.204 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.193 -15.012 2.536 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.964 -13.376 1.949 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.445 -14.060 0.880 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -8.465 -14.869 2.435 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.686 -12.645 3.460 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.010 -11.911 1.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -9.894 -11.685 3.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.314 -12.660 2.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -10.000 -13.370 3.570 1.00 0.00 H new ATOM 315 N ARG A 21 -4.511 -16.078 -1.835 1.00 0.00 N ATOM 316 CA ARG A 21 -4.344 -16.489 -3.222 1.00 0.00 C ATOM 317 C ARG A 21 -3.279 -17.580 -3.350 1.00 0.00 C ATOM 318 O ARG A 21 -2.629 -17.715 -4.384 1.00 0.00 O ATOM 319 CB ARG A 21 -3.984 -15.280 -4.083 1.00 0.00 C ATOM 320 CG ARG A 21 -3.796 -15.611 -5.553 1.00 0.00 C ATOM 321 CD ARG A 21 -2.346 -15.454 -5.964 1.00 0.00 C ATOM 322 NE ARG A 21 -2.211 -14.966 -7.334 1.00 0.00 N ATOM 323 CZ ARG A 21 -2.349 -13.689 -7.684 1.00 0.00 C ATOM 324 NH1 ARG A 21 -2.629 -12.769 -6.769 1.00 0.00 N ATOM 325 NH2 ARG A 21 -2.207 -13.330 -8.953 1.00 0.00 N ATOM 0 H ARG A 21 -3.974 -15.252 -1.571 1.00 0.00 H new ATOM 0 HA ARG A 21 -5.288 -16.906 -3.574 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -4.769 -14.530 -3.986 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -3.067 -14.833 -3.700 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.123 -16.633 -5.744 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -4.422 -14.957 -6.160 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.850 -14.762 -5.283 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.837 -16.414 -5.870 1.00 0.00 H new ATOM 0 HE ARG A 21 -1.998 -15.644 -8.066 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -2.740 -13.039 -5.792 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -2.734 -11.792 -7.043 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -1.992 -14.032 -9.661 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -2.313 -12.352 -9.221 1.00 0.00 H new ATOM 339 N ASN A 22 -3.126 -18.367 -2.291 1.00 0.00 N ATOM 340 CA ASN A 22 -2.171 -19.464 -2.263 1.00 0.00 C ATOM 341 C ASN A 22 -0.731 -18.980 -2.282 1.00 0.00 C ATOM 342 O ASN A 22 0.096 -19.456 -3.060 1.00 0.00 O ATOM 343 CB ASN A 22 -2.438 -20.430 -3.410 1.00 0.00 C ATOM 344 CG ASN A 22 -1.462 -21.592 -3.448 1.00 0.00 C ATOM 345 OD1 ASN A 22 -0.783 -21.815 -4.450 1.00 0.00 O ATOM 346 ND2 ASN A 22 -1.388 -22.338 -2.352 1.00 0.00 N ATOM 0 H ASN A 22 -3.661 -18.261 -1.429 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.311 -19.991 -1.319 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -3.453 -20.818 -3.322 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -2.385 -19.888 -4.354 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -0.749 -23.133 -2.318 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -1.970 -22.116 -1.544 1.00 0.00 H new ATOM 353 N MET A 23 -0.433 -18.066 -1.380 1.00 0.00 N ATOM 354 CA MET A 23 0.924 -17.542 -1.235 1.00 0.00 C ATOM 355 C MET A 23 1.567 -17.120 -2.552 1.00 0.00 C ATOM 356 O MET A 23 2.541 -17.727 -2.998 1.00 0.00 O ATOM 357 CB MET A 23 1.802 -18.593 -0.556 1.00 0.00 C ATOM 358 CG MET A 23 2.981 -18.014 0.206 1.00 0.00 C ATOM 359 SD MET A 23 2.552 -17.586 1.902 1.00 0.00 S ATOM 360 CE MET A 23 0.950 -16.836 1.639 1.00 0.00 C ATOM 0 H MET A 23 -1.110 -17.665 -0.731 1.00 0.00 H new ATOM 0 HA MET A 23 0.845 -16.641 -0.627 1.00 0.00 H new ATOM 0 HB2 MET A 23 1.188 -19.175 0.132 1.00 0.00 H new ATOM 0 HB3 MET A 23 2.175 -19.284 -1.312 1.00 0.00 H new ATOM 0 HG2 MET A 23 3.798 -18.736 0.211 1.00 0.00 H new ATOM 0 HG3 MET A 23 3.344 -17.125 -0.310 1.00 0.00 H new ATOM 0 HE1 MET A 23 0.547 -16.496 2.593 1.00 0.00 H new ATOM 0 HE2 MET A 23 1.053 -15.986 0.964 1.00 0.00 H new ATOM 0 HE3 MET A 23 0.273 -17.569 1.199 1.00 0.00 H new ATOM 370 N PRO A 24 1.063 -16.048 -3.174 1.00 0.00 N ATOM 371 CA PRO A 24 1.628 -15.526 -4.420 1.00 0.00 C ATOM 372 C PRO A 24 2.939 -14.779 -4.193 1.00 0.00 C ATOM 373 O PRO A 24 3.318 -13.915 -4.983 1.00 0.00 O ATOM 374 CB PRO A 24 0.563 -14.553 -4.905 1.00 0.00 C ATOM 375 CG PRO A 24 -0.099 -14.078 -3.654 1.00 0.00 C ATOM 376 CD PRO A 24 -0.082 -15.249 -2.707 1.00 0.00 C ATOM 0 HA PRO A 24 1.862 -16.325 -5.124 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.004 -13.725 -5.461 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -0.148 -15.041 -5.571 1.00 0.00 H new ATOM 0 HG2 PRO A 24 0.432 -13.226 -3.231 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -1.120 -13.751 -3.852 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.047 -14.928 -1.673 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -1.012 -15.815 -2.751 1.00 0.00 H new ATOM 384 N LEU A 25 3.620 -15.110 -3.104 1.00 0.00 N ATOM 385 CA LEU A 25 4.878 -14.466 -2.761 1.00 0.00 C ATOM 386 C LEU A 25 6.003 -15.485 -2.665 1.00 0.00 C ATOM 387 O LEU A 25 6.984 -15.420 -3.407 1.00 0.00 O ATOM 388 CB LEU A 25 4.748 -13.726 -1.425 1.00 0.00 C ATOM 389 CG LEU A 25 3.944 -12.423 -1.465 1.00 0.00 C ATOM 390 CD1 LEU A 25 2.601 -12.639 -2.144 1.00 0.00 C ATOM 391 CD2 LEU A 25 3.747 -11.876 -0.057 1.00 0.00 C ATOM 0 H LEU A 25 3.319 -15.824 -2.441 1.00 0.00 H new ATOM 0 HA LEU A 25 5.116 -13.754 -3.551 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.283 -14.397 -0.703 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.749 -13.503 -1.055 1.00 0.00 H new ATOM 0 HG LEU A 25 4.507 -11.692 -2.046 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.047 -11.701 -2.161 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.761 -12.985 -3.165 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.031 -13.387 -1.593 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.174 -10.950 -0.103 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.207 -12.607 0.545 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.719 -11.679 0.396 1.00 0.00 H new ATOM 403 N GLN A 26 5.864 -16.409 -1.720 1.00 0.00 N ATOM 404 CA GLN A 26 6.875 -17.436 -1.485 1.00 0.00 C ATOM 405 C GLN A 26 8.137 -16.805 -0.900 1.00 0.00 C ATOM 406 O GLN A 26 9.165 -17.465 -0.750 1.00 0.00 O ATOM 407 CB GLN A 26 7.207 -18.179 -2.784 1.00 0.00 C ATOM 408 CG GLN A 26 6.586 -19.564 -2.868 1.00 0.00 C ATOM 409 CD GLN A 26 5.648 -19.713 -4.050 1.00 0.00 C ATOM 410 OE1 GLN A 26 5.056 -18.739 -4.515 1.00 0.00 O ATOM 411 NE2 GLN A 26 5.507 -20.938 -4.543 1.00 0.00 N ATOM 0 H GLN A 26 5.056 -16.468 -1.100 1.00 0.00 H new ATOM 0 HA GLN A 26 6.475 -18.157 -0.772 1.00 0.00 H new ATOM 0 HB2 GLN A 26 6.864 -17.584 -3.631 1.00 0.00 H new ATOM 0 HB3 GLN A 26 8.289 -18.269 -2.875 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.378 -20.309 -2.942 1.00 0.00 H new ATOM 0 HG3 GLN A 26 6.040 -19.769 -1.947 1.00 0.00 H new ATOM 0 HE21 GLN A 26 6.017 -21.717 -4.127 1.00 0.00 H new ATOM 0 HE22 GLN A 26 4.889 -21.100 -5.338 1.00 0.00 H new ATOM 420 N SER A 27 8.039 -15.512 -0.583 1.00 0.00 N ATOM 421 CA SER A 27 9.140 -14.740 -0.024 1.00 0.00 C ATOM 422 C SER A 27 8.881 -13.256 -0.252 1.00 0.00 C ATOM 423 O SER A 27 8.775 -12.810 -1.395 1.00 0.00 O ATOM 424 CB SER A 27 10.461 -15.139 -0.679 1.00 0.00 C ATOM 425 OG SER A 27 11.221 -15.982 0.170 1.00 0.00 O ATOM 0 H SER A 27 7.184 -14.971 -0.710 1.00 0.00 H new ATOM 0 HA SER A 27 9.208 -14.943 1.045 1.00 0.00 H new ATOM 0 HB2 SER A 27 10.263 -15.651 -1.621 1.00 0.00 H new ATOM 0 HB3 SER A 27 11.036 -14.244 -0.917 1.00 0.00 H new ATOM 0 HG SER A 27 10.817 -16.875 0.191 1.00 0.00 H new ATOM 431 N ILE A 28 8.779 -12.489 0.826 1.00 0.00 N ATOM 432 CA ILE A 28 8.532 -11.061 0.705 1.00 0.00 C ATOM 433 C ILE A 28 9.717 -10.393 0.017 1.00 0.00 C ATOM 434 O ILE A 28 10.849 -10.859 0.142 1.00 0.00 O ATOM 435 CB ILE A 28 8.294 -10.374 2.075 1.00 0.00 C ATOM 436 CG1 ILE A 28 7.959 -11.383 3.175 1.00 0.00 C ATOM 437 CG2 ILE A 28 7.181 -9.342 1.962 1.00 0.00 C ATOM 438 CD1 ILE A 28 6.790 -12.286 2.841 1.00 0.00 C ATOM 0 H ILE A 28 8.863 -12.829 1.784 1.00 0.00 H new ATOM 0 HA ILE A 28 7.623 -10.946 0.115 1.00 0.00 H new ATOM 0 HB ILE A 28 9.224 -9.879 2.353 1.00 0.00 H new ATOM 0 HG12 ILE A 28 8.837 -11.998 3.370 1.00 0.00 H new ATOM 0 HG13 ILE A 28 7.737 -10.843 4.095 1.00 0.00 H new ATOM 0 HG21 ILE A 28 7.025 -8.868 2.931 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.459 -8.585 1.228 1.00 0.00 H new ATOM 0 HG23 ILE A 28 6.261 -9.833 1.646 1.00 0.00 H new ATOM 0 HD11 ILE A 28 6.613 -12.973 3.668 1.00 0.00 H new ATOM 0 HD12 ILE A 28 5.899 -11.681 2.675 1.00 0.00 H new ATOM 0 HD13 ILE A 28 7.016 -12.855 1.939 1.00 0.00 H new ATOM 450 N PRO A 29 9.488 -9.293 -0.719 1.00 0.00 N ATOM 451 CA PRO A 29 10.561 -8.591 -1.409 1.00 0.00 C ATOM 452 C PRO A 29 11.349 -7.677 -0.477 1.00 0.00 C ATOM 453 O PRO A 29 11.879 -6.655 -0.911 1.00 0.00 O ATOM 454 CB PRO A 29 9.822 -7.779 -2.469 1.00 0.00 C ATOM 455 CG PRO A 29 8.477 -7.514 -1.884 1.00 0.00 C ATOM 456 CD PRO A 29 8.178 -8.650 -0.936 1.00 0.00 C ATOM 0 HA PRO A 29 11.303 -9.275 -1.820 1.00 0.00 H new ATOM 0 HB2 PRO A 29 10.346 -6.849 -2.690 1.00 0.00 H new ATOM 0 HB3 PRO A 29 9.743 -8.331 -3.405 1.00 0.00 H new ATOM 0 HG2 PRO A 29 8.466 -6.559 -1.358 1.00 0.00 H new ATOM 0 HG3 PRO A 29 7.721 -7.455 -2.667 1.00 0.00 H new ATOM 0 HD2 PRO A 29 7.753 -8.287 -0.000 1.00 0.00 H new ATOM 0 HD3 PRO A 29 7.458 -9.347 -1.364 1.00 0.00 H new ATOM 464 N GLU A 30 11.426 -8.060 0.807 1.00 0.00 N ATOM 465 CA GLU A 30 12.153 -7.292 1.821 1.00 0.00 C ATOM 466 C GLU A 30 13.262 -6.461 1.176 1.00 0.00 C ATOM 467 O GLU A 30 14.325 -6.984 0.840 1.00 0.00 O ATOM 468 CB GLU A 30 12.756 -8.236 2.862 1.00 0.00 C ATOM 469 CG GLU A 30 11.716 -9.006 3.660 1.00 0.00 C ATOM 470 CD GLU A 30 12.062 -10.475 3.804 1.00 0.00 C ATOM 471 OE1 GLU A 30 12.027 -11.196 2.785 1.00 0.00 O ATOM 472 OE2 GLU A 30 12.367 -10.905 4.937 1.00 0.00 O ATOM 0 H GLU A 30 10.987 -8.907 1.167 1.00 0.00 H new ATOM 0 HA GLU A 30 11.450 -6.618 2.310 1.00 0.00 H new ATOM 0 HB2 GLU A 30 13.414 -8.945 2.360 1.00 0.00 H new ATOM 0 HB3 GLU A 30 13.375 -7.658 3.549 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.620 -8.560 4.650 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.746 -8.911 3.172 1.00 0.00 H new ATOM 479 N ILE A 31 13.000 -5.176 0.983 1.00 0.00 N ATOM 480 CA ILE A 31 13.973 -4.289 0.349 1.00 0.00 C ATOM 481 C ILE A 31 14.909 -3.656 1.377 1.00 0.00 C ATOM 482 O ILE A 31 14.786 -3.894 2.578 1.00 0.00 O ATOM 483 CB ILE A 31 13.298 -3.175 -0.496 1.00 0.00 C ATOM 484 CG1 ILE A 31 11.882 -2.867 0.017 1.00 0.00 C ATOM 485 CG2 ILE A 31 13.268 -3.569 -1.973 1.00 0.00 C ATOM 486 CD1 ILE A 31 10.811 -3.809 -0.506 1.00 0.00 C ATOM 0 H ILE A 31 12.127 -4.723 1.254 1.00 0.00 H new ATOM 0 HA ILE A 31 14.557 -4.917 -0.324 1.00 0.00 H new ATOM 0 HB ILE A 31 13.891 -2.266 -0.393 1.00 0.00 H new ATOM 0 HG12 ILE A 31 11.886 -2.908 1.106 1.00 0.00 H new ATOM 0 HG13 ILE A 31 11.620 -1.846 -0.263 1.00 0.00 H new ATOM 0 HG21 ILE A 31 12.792 -2.777 -2.551 1.00 0.00 H new ATOM 0 HG22 ILE A 31 14.287 -3.717 -2.331 1.00 0.00 H new ATOM 0 HG23 ILE A 31 12.704 -4.494 -2.091 1.00 0.00 H new ATOM 0 HD11 ILE A 31 9.843 -3.522 -0.096 1.00 0.00 H new ATOM 0 HD12 ILE A 31 10.776 -3.752 -1.594 1.00 0.00 H new ATOM 0 HD13 ILE A 31 11.045 -4.830 -0.204 1.00 0.00 H new ATOM 498 N GLY A 32 15.857 -2.863 0.885 1.00 0.00 N ATOM 499 CA GLY A 32 16.827 -2.216 1.753 1.00 0.00 C ATOM 500 C GLY A 32 16.203 -1.426 2.889 1.00 0.00 C ATOM 501 O GLY A 32 16.867 -1.144 3.887 1.00 0.00 O ATOM 0 H GLY A 32 15.971 -2.656 -0.107 1.00 0.00 H new ATOM 0 HA2 GLY A 32 17.489 -2.974 2.171 1.00 0.00 H new ATOM 0 HA3 GLY A 32 17.446 -1.547 1.155 1.00 0.00 H new ATOM 505 N ASN A 33 14.934 -1.061 2.748 1.00 0.00 N ATOM 506 CA ASN A 33 14.250 -0.296 3.781 1.00 0.00 C ATOM 507 C ASN A 33 14.128 -1.107 5.062 1.00 0.00 C ATOM 508 O ASN A 33 14.534 -0.661 6.136 1.00 0.00 O ATOM 509 CB ASN A 33 12.863 0.133 3.298 1.00 0.00 C ATOM 510 CG ASN A 33 12.576 1.592 3.591 1.00 0.00 C ATOM 511 OD1 ASN A 33 12.873 2.471 2.782 1.00 0.00 O ATOM 512 ND2 ASN A 33 11.997 1.859 4.756 1.00 0.00 N ATOM 0 H ASN A 33 14.362 -1.281 1.933 1.00 0.00 H new ATOM 0 HA ASN A 33 14.842 0.595 3.990 1.00 0.00 H new ATOM 0 HB2 ASN A 33 12.785 -0.042 2.225 1.00 0.00 H new ATOM 0 HB3 ASN A 33 12.106 -0.487 3.778 1.00 0.00 H new ATOM 0 HD21 ASN A 33 11.782 2.823 5.009 1.00 0.00 H new ATOM 0 HD22 ASN A 33 11.768 1.100 5.397 1.00 0.00 H new ATOM 519 N ARG A 34 13.558 -2.300 4.939 1.00 0.00 N ATOM 520 CA ARG A 34 13.363 -3.189 6.081 1.00 0.00 C ATOM 521 C ARG A 34 12.412 -4.323 5.719 1.00 0.00 C ATOM 522 O ARG A 34 11.960 -4.424 4.578 1.00 0.00 O ATOM 523 CB ARG A 34 12.804 -2.411 7.277 1.00 0.00 C ATOM 524 CG ARG A 34 11.753 -1.379 6.891 1.00 0.00 C ATOM 525 CD ARG A 34 10.357 -1.824 7.299 1.00 0.00 C ATOM 526 NE ARG A 34 10.156 -1.738 8.744 1.00 0.00 N ATOM 527 CZ ARG A 34 9.064 -2.175 9.368 1.00 0.00 C ATOM 528 NH1 ARG A 34 8.073 -2.726 8.677 1.00 0.00 N ATOM 529 NH2 ARG A 34 8.962 -2.060 10.685 1.00 0.00 N ATOM 0 H ARG A 34 13.220 -2.677 4.054 1.00 0.00 H new ATOM 0 HA ARG A 34 14.331 -3.610 6.352 1.00 0.00 H new ATOM 0 HB2 ARG A 34 12.368 -3.114 7.986 1.00 0.00 H new ATOM 0 HB3 ARG A 34 13.624 -1.909 7.789 1.00 0.00 H new ATOM 0 HG2 ARG A 34 11.986 -0.426 7.367 1.00 0.00 H new ATOM 0 HG3 ARG A 34 11.783 -1.213 5.814 1.00 0.00 H new ATOM 0 HD2 ARG A 34 9.617 -1.205 6.792 1.00 0.00 H new ATOM 0 HD3 ARG A 34 10.193 -2.850 6.970 1.00 0.00 H new ATOM 0 HE ARG A 34 10.896 -1.319 9.308 1.00 0.00 H new ATOM 0 HH11 ARG A 34 8.146 -2.816 7.664 1.00 0.00 H new ATOM 0 HH12 ARG A 34 7.238 -3.059 9.160 1.00 0.00 H new ATOM 0 HH21 ARG A 34 9.720 -1.637 11.220 1.00 0.00 H new ATOM 0 HH22 ARG A 34 8.125 -2.395 11.163 1.00 0.00 H new ATOM 543 N LYS A 35 12.103 -5.172 6.694 1.00 0.00 N ATOM 544 CA LYS A 35 11.196 -6.288 6.465 1.00 0.00 C ATOM 545 C LYS A 35 9.778 -5.782 6.224 1.00 0.00 C ATOM 546 O LYS A 35 9.043 -5.471 7.161 1.00 0.00 O ATOM 547 CB LYS A 35 11.233 -7.264 7.647 1.00 0.00 C ATOM 548 CG LYS A 35 10.719 -6.679 8.955 1.00 0.00 C ATOM 549 CD LYS A 35 9.630 -7.548 9.568 1.00 0.00 C ATOM 550 CE LYS A 35 8.430 -7.692 8.643 1.00 0.00 C ATOM 551 NZ LYS A 35 7.496 -8.751 9.111 1.00 0.00 N ATOM 0 H LYS A 35 12.466 -5.108 7.645 1.00 0.00 H new ATOM 0 HA LYS A 35 11.524 -6.823 5.573 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.639 -8.143 7.397 1.00 0.00 H new ATOM 0 HB3 LYS A 35 12.259 -7.603 7.792 1.00 0.00 H new ATOM 0 HG2 LYS A 35 11.545 -6.579 9.659 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.329 -5.677 8.778 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.036 -8.534 9.792 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.309 -7.113 10.514 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.901 -6.741 8.583 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.774 -7.929 7.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.517 -8.408 9.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.610 -9.600 8.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.707 -8.987 10.102 1.00 0.00 H new ATOM 565 N ILE A 36 9.399 -5.710 4.954 1.00 0.00 N ATOM 566 CA ILE A 36 8.079 -5.256 4.574 1.00 0.00 C ATOM 567 C ILE A 36 7.820 -3.812 5.006 1.00 0.00 C ATOM 568 O ILE A 36 8.240 -3.376 6.078 1.00 0.00 O ATOM 569 CB ILE A 36 7.009 -6.182 5.169 1.00 0.00 C ATOM 570 CG1 ILE A 36 6.775 -7.373 4.248 1.00 0.00 C ATOM 571 CG2 ILE A 36 5.709 -5.435 5.411 1.00 0.00 C ATOM 572 CD1 ILE A 36 5.964 -8.466 4.896 1.00 0.00 C ATOM 0 H ILE A 36 9.997 -5.964 4.168 1.00 0.00 H new ATOM 0 HA ILE A 36 8.025 -5.288 3.486 1.00 0.00 H new ATOM 0 HB ILE A 36 7.370 -6.544 6.132 1.00 0.00 H new ATOM 0 HG12 ILE A 36 6.264 -7.034 3.347 1.00 0.00 H new ATOM 0 HG13 ILE A 36 7.737 -7.778 3.935 1.00 0.00 H new ATOM 0 HG21 ILE A 36 4.971 -6.117 5.833 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.885 -4.615 6.107 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.337 -5.036 4.467 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.831 -9.287 4.191 1.00 0.00 H new ATOM 0 HD12 ILE A 36 6.485 -8.829 5.782 1.00 0.00 H new ATOM 0 HD13 ILE A 36 4.989 -8.073 5.184 1.00 0.00 H new ATOM 584 N ASN A 37 7.107 -3.095 4.149 1.00 0.00 N ATOM 585 CA ASN A 37 6.739 -1.702 4.385 1.00 0.00 C ATOM 586 C ASN A 37 5.734 -1.272 3.322 1.00 0.00 C ATOM 587 O ASN A 37 5.739 -0.133 2.860 1.00 0.00 O ATOM 588 CB ASN A 37 7.975 -0.802 4.343 1.00 0.00 C ATOM 589 CG ASN A 37 7.931 0.291 5.393 1.00 0.00 C ATOM 590 OD1 ASN A 37 6.863 0.651 5.887 1.00 0.00 O ATOM 591 ND2 ASN A 37 9.096 0.826 5.739 1.00 0.00 N ATOM 0 H ASN A 37 6.764 -3.465 3.262 1.00 0.00 H new ATOM 0 HA ASN A 37 6.291 -1.609 5.374 1.00 0.00 H new ATOM 0 HB2 ASN A 37 8.868 -1.409 4.492 1.00 0.00 H new ATOM 0 HB3 ASN A 37 8.058 -0.349 3.355 1.00 0.00 H new ATOM 0 HD21 ASN A 37 9.129 1.566 6.440 1.00 0.00 H new ATOM 0 HD22 ASN A 37 9.958 0.497 5.304 1.00 0.00 H new ATOM 598 N LEU A 38 4.893 -2.226 2.932 1.00 0.00 N ATOM 599 CA LEU A 38 3.879 -2.028 1.904 1.00 0.00 C ATOM 600 C LEU A 38 3.023 -0.789 2.147 1.00 0.00 C ATOM 601 O LEU A 38 3.069 0.167 1.376 1.00 0.00 O ATOM 602 CB LEU A 38 2.987 -3.268 1.818 1.00 0.00 C ATOM 603 CG LEU A 38 3.730 -4.607 1.865 1.00 0.00 C ATOM 604 CD1 LEU A 38 2.788 -5.730 2.264 1.00 0.00 C ATOM 605 CD2 LEU A 38 4.380 -4.903 0.523 1.00 0.00 C ATOM 0 H LEU A 38 4.897 -3.167 3.325 1.00 0.00 H new ATOM 0 HA LEU A 38 4.402 -1.872 0.961 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.270 -3.239 2.639 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.414 -3.221 0.892 1.00 0.00 H new ATOM 0 HG LEU A 38 4.514 -4.538 2.619 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.336 -6.672 2.291 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.372 -5.523 3.250 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.979 -5.802 1.537 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.903 -5.858 0.575 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.613 -4.951 -0.250 1.00 0.00 H new ATOM 0 HD23 LEU A 38 5.090 -4.113 0.281 1.00 0.00 H new ATOM 617 N PHE A 39 2.221 -0.818 3.202 1.00 0.00 N ATOM 618 CA PHE A 39 1.330 0.295 3.518 1.00 0.00 C ATOM 619 C PHE A 39 2.032 1.654 3.428 1.00 0.00 C ATOM 620 O PHE A 39 1.382 2.673 3.218 1.00 0.00 O ATOM 621 CB PHE A 39 0.696 0.090 4.895 1.00 0.00 C ATOM 622 CG PHE A 39 -0.105 -1.183 4.980 1.00 0.00 C ATOM 623 CD1 PHE A 39 0.502 -2.367 5.361 1.00 0.00 C ATOM 624 CD2 PHE A 39 -1.459 -1.198 4.666 1.00 0.00 C ATOM 625 CE1 PHE A 39 -0.221 -3.541 5.431 1.00 0.00 C ATOM 626 CE2 PHE A 39 -2.189 -2.374 4.736 1.00 0.00 C ATOM 627 CZ PHE A 39 -1.565 -3.546 5.120 1.00 0.00 C ATOM 0 H PHE A 39 2.167 -1.599 3.855 1.00 0.00 H new ATOM 0 HA PHE A 39 0.542 0.306 2.765 1.00 0.00 H new ATOM 0 HB2 PHE A 39 1.479 0.073 5.653 1.00 0.00 H new ATOM 0 HB3 PHE A 39 0.050 0.938 5.123 1.00 0.00 H new ATOM 0 HD1 PHE A 39 1.554 -2.373 5.606 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -1.947 -0.283 4.364 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.267 -4.457 5.730 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -3.241 -2.375 4.492 1.00 0.00 H new ATOM 0 HZ PHE A 39 -2.129 -4.465 5.177 1.00 0.00 H new ATOM 637 N TYR A 40 3.356 1.670 3.562 1.00 0.00 N ATOM 638 CA TYR A 40 4.110 2.921 3.467 1.00 0.00 C ATOM 639 C TYR A 40 4.195 3.380 2.009 1.00 0.00 C ATOM 640 O TYR A 40 3.416 4.236 1.559 1.00 0.00 O ATOM 641 CB TYR A 40 5.512 2.740 4.051 1.00 0.00 C ATOM 642 CG TYR A 40 5.771 3.582 5.280 1.00 0.00 C ATOM 643 CD1 TYR A 40 5.002 3.424 6.427 1.00 0.00 C ATOM 644 CD2 TYR A 40 6.782 4.534 5.294 1.00 0.00 C ATOM 645 CE1 TYR A 40 5.234 4.192 7.553 1.00 0.00 C ATOM 646 CE2 TYR A 40 7.021 5.305 6.416 1.00 0.00 C ATOM 647 CZ TYR A 40 6.244 5.130 7.542 1.00 0.00 C ATOM 648 OH TYR A 40 6.479 5.896 8.661 1.00 0.00 O ATOM 0 H TYR A 40 3.925 0.842 3.735 1.00 0.00 H new ATOM 0 HA TYR A 40 3.590 3.687 4.042 1.00 0.00 H new ATOM 0 HB2 TYR A 40 5.658 1.690 4.303 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.249 2.990 3.288 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.210 2.689 6.439 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.392 4.674 4.414 1.00 0.00 H new ATOM 0 HE1 TYR A 40 4.627 4.058 8.436 1.00 0.00 H new ATOM 0 HE2 TYR A 40 7.812 6.040 6.411 1.00 0.00 H new ATOM 0 HH TYR A 40 7.225 6.507 8.488 1.00 0.00 H new ATOM 658 N LEU A 41 5.126 2.790 1.256 1.00 0.00 N ATOM 659 CA LEU A 41 5.278 3.128 -0.155 1.00 0.00 C ATOM 660 C LEU A 41 3.918 3.112 -0.829 1.00 0.00 C ATOM 661 O LEU A 41 3.676 3.829 -1.798 1.00 0.00 O ATOM 662 CB LEU A 41 6.204 2.140 -0.855 1.00 0.00 C ATOM 663 CG LEU A 41 5.612 0.744 -1.058 1.00 0.00 C ATOM 664 CD1 LEU A 41 6.278 0.048 -2.233 1.00 0.00 C ATOM 665 CD2 LEU A 41 5.797 -0.072 0.210 1.00 0.00 C ATOM 0 H LEU A 41 5.778 2.084 1.598 1.00 0.00 H new ATOM 0 HA LEU A 41 5.717 4.123 -0.226 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.480 2.548 -1.827 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.122 2.050 -0.275 1.00 0.00 H new ATOM 0 HG LEU A 41 4.548 0.837 -1.276 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.844 -0.944 -2.362 1.00 0.00 H new ATOM 0 HD12 LEU A 41 6.121 0.633 -3.139 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.347 -0.046 -2.042 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.376 -1.067 0.067 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.860 -0.157 0.436 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.288 0.422 1.038 1.00 0.00 H new ATOM 677 N TYR A 42 3.021 2.296 -0.293 1.00 0.00 N ATOM 678 CA TYR A 42 1.689 2.216 -0.830 1.00 0.00 C ATOM 679 C TYR A 42 0.984 3.549 -0.586 1.00 0.00 C ATOM 680 O TYR A 42 0.435 4.146 -1.502 1.00 0.00 O ATOM 681 CB TYR A 42 0.922 1.031 -0.216 1.00 0.00 C ATOM 682 CG TYR A 42 -0.577 1.247 -0.069 1.00 0.00 C ATOM 683 CD1 TYR A 42 -1.258 2.049 -0.965 1.00 0.00 C ATOM 684 CD2 TYR A 42 -1.304 0.661 0.960 1.00 0.00 C ATOM 685 CE1 TYR A 42 -2.602 2.276 -0.857 1.00 0.00 C ATOM 686 CE2 TYR A 42 -2.666 0.879 1.082 1.00 0.00 C ATOM 687 CZ TYR A 42 -3.311 1.692 0.170 1.00 0.00 C ATOM 688 OH TYR A 42 -4.664 1.915 0.285 1.00 0.00 O ATOM 0 H TYR A 42 3.199 1.688 0.507 1.00 0.00 H new ATOM 0 HA TYR A 42 1.728 2.033 -1.904 1.00 0.00 H new ATOM 0 HB2 TYR A 42 1.089 0.149 -0.835 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.342 0.815 0.767 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -0.712 2.510 -1.775 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -0.800 0.027 1.674 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -3.105 2.909 -1.573 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -3.221 0.416 1.885 1.00 0.00 H new ATOM 0 HH TYR A 42 -5.140 1.395 -0.396 1.00 0.00 H new ATOM 698 N MET A 43 1.019 4.039 0.647 1.00 0.00 N ATOM 699 CA MET A 43 0.389 5.317 0.959 1.00 0.00 C ATOM 700 C MET A 43 0.708 6.346 -0.120 1.00 0.00 C ATOM 701 O MET A 43 -0.083 7.253 -0.379 1.00 0.00 O ATOM 702 CB MET A 43 0.834 5.823 2.335 1.00 0.00 C ATOM 703 CG MET A 43 -0.001 5.311 3.514 1.00 0.00 C ATOM 704 SD MET A 43 -1.714 4.910 3.092 1.00 0.00 S ATOM 705 CE MET A 43 -1.491 3.401 2.147 1.00 0.00 C ATOM 0 H MET A 43 1.470 3.579 1.438 1.00 0.00 H new ATOM 0 HA MET A 43 -0.690 5.168 0.986 1.00 0.00 H new ATOM 0 HB2 MET A 43 1.873 5.535 2.493 1.00 0.00 H new ATOM 0 HB3 MET A 43 0.802 6.913 2.333 1.00 0.00 H new ATOM 0 HG2 MET A 43 0.478 4.422 3.925 1.00 0.00 H new ATOM 0 HG3 MET A 43 0.000 6.066 4.300 1.00 0.00 H new ATOM 0 HE1 MET A 43 -1.611 3.616 1.085 1.00 0.00 H new ATOM 0 HE2 MET A 43 -0.492 3.004 2.326 1.00 0.00 H new ATOM 0 HE3 MET A 43 -2.235 2.666 2.455 1.00 0.00 H new ATOM 715 N LEU A 44 1.861 6.187 -0.761 1.00 0.00 N ATOM 716 CA LEU A 44 2.258 7.102 -1.830 1.00 0.00 C ATOM 717 C LEU A 44 1.599 6.732 -3.155 1.00 0.00 C ATOM 718 O LEU A 44 1.243 7.611 -3.940 1.00 0.00 O ATOM 719 CB LEU A 44 3.770 7.126 -2.022 1.00 0.00 C ATOM 720 CG LEU A 44 4.594 6.451 -0.935 1.00 0.00 C ATOM 721 CD1 LEU A 44 6.073 6.644 -1.203 1.00 0.00 C ATOM 722 CD2 LEU A 44 4.223 6.990 0.439 1.00 0.00 C ATOM 0 H LEU A 44 2.531 5.444 -0.564 1.00 0.00 H new ATOM 0 HA LEU A 44 1.923 8.093 -1.524 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.002 6.649 -2.974 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.090 8.165 -2.099 1.00 0.00 H new ATOM 0 HG LEU A 44 4.374 5.384 -0.949 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.652 6.157 -0.418 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.328 6.205 -2.168 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.304 7.709 -1.216 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.825 6.493 1.200 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.411 8.063 0.472 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.167 6.801 0.631 1.00 0.00 H new ATOM 734 N VAL A 45 1.425 5.435 -3.403 1.00 0.00 N ATOM 735 CA VAL A 45 0.790 4.991 -4.645 1.00 0.00 C ATOM 736 C VAL A 45 -0.596 5.591 -4.731 1.00 0.00 C ATOM 737 O VAL A 45 -1.140 5.792 -5.815 1.00 0.00 O ATOM 738 CB VAL A 45 0.692 3.457 -4.760 1.00 0.00 C ATOM 739 CG1 VAL A 45 0.008 2.865 -3.571 1.00 0.00 C ATOM 740 CG2 VAL A 45 -0.045 3.054 -6.019 1.00 0.00 C ATOM 0 H VAL A 45 1.709 4.684 -2.774 1.00 0.00 H new ATOM 0 HA VAL A 45 1.418 5.330 -5.469 1.00 0.00 H new ATOM 0 HB VAL A 45 1.711 3.072 -4.805 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.045 1.782 -3.683 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.569 3.109 -2.669 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.000 3.271 -3.492 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.100 1.967 -6.076 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.053 3.468 -5.999 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.487 3.436 -6.890 1.00 0.00 H new ATOM 750 N GLN A 46 -1.141 5.903 -3.562 1.00 0.00 N ATOM 751 CA GLN A 46 -2.457 6.528 -3.458 1.00 0.00 C ATOM 752 C GLN A 46 -2.577 7.623 -4.512 1.00 0.00 C ATOM 753 O GLN A 46 -3.651 7.856 -5.068 1.00 0.00 O ATOM 754 CB GLN A 46 -2.655 7.112 -2.052 1.00 0.00 C ATOM 755 CG GLN A 46 -3.859 8.037 -1.919 1.00 0.00 C ATOM 756 CD GLN A 46 -5.141 7.291 -1.615 1.00 0.00 C ATOM 757 OE1 GLN A 46 -5.906 6.955 -2.519 1.00 0.00 O ATOM 758 NE2 GLN A 46 -5.383 7.029 -0.336 1.00 0.00 N ATOM 0 H GLN A 46 -0.688 5.732 -2.664 1.00 0.00 H new ATOM 0 HA GLN A 46 -3.231 5.780 -3.629 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -2.762 6.291 -1.343 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -1.757 7.662 -1.770 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -3.669 8.762 -1.127 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -3.982 8.601 -2.844 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -4.720 7.327 0.380 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -6.232 6.530 -0.069 1.00 0.00 H new ATOM 767 N LYS A 47 -1.444 8.265 -4.800 1.00 0.00 N ATOM 768 CA LYS A 47 -1.380 9.310 -5.812 1.00 0.00 C ATOM 769 C LYS A 47 -2.101 8.836 -7.064 1.00 0.00 C ATOM 770 O LYS A 47 -2.888 9.569 -7.663 1.00 0.00 O ATOM 771 CB LYS A 47 0.095 9.645 -6.103 1.00 0.00 C ATOM 772 CG LYS A 47 0.426 10.014 -7.551 1.00 0.00 C ATOM 773 CD LYS A 47 -0.563 11.022 -8.128 1.00 0.00 C ATOM 774 CE LYS A 47 -1.160 10.549 -9.445 1.00 0.00 C ATOM 775 NZ LYS A 47 -2.378 11.324 -9.811 1.00 0.00 N ATOM 0 H LYS A 47 -0.554 8.074 -4.340 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.871 10.217 -5.458 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.392 10.474 -5.461 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.705 8.787 -5.819 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.433 10.428 -7.598 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.423 9.113 -8.164 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.364 11.196 -7.409 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.059 11.977 -8.281 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.417 10.645 -10.236 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.411 9.491 -9.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.647 11.105 -10.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.158 11.068 -9.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.181 12.342 -9.725 1.00 0.00 H new ATOM 789 N PHE A 48 -1.842 7.590 -7.431 1.00 0.00 N ATOM 790 CA PHE A 48 -2.472 6.995 -8.585 1.00 0.00 C ATOM 791 C PHE A 48 -3.766 6.305 -8.180 1.00 0.00 C ATOM 792 O PHE A 48 -4.764 6.360 -8.898 1.00 0.00 O ATOM 793 CB PHE A 48 -1.517 6.025 -9.268 1.00 0.00 C ATOM 794 CG PHE A 48 -1.121 6.488 -10.642 1.00 0.00 C ATOM 795 CD1 PHE A 48 -0.423 7.673 -10.808 1.00 0.00 C ATOM 796 CD2 PHE A 48 -1.463 5.755 -11.763 1.00 0.00 C ATOM 797 CE1 PHE A 48 -0.071 8.117 -12.068 1.00 0.00 C ATOM 798 CE2 PHE A 48 -1.118 6.194 -13.027 1.00 0.00 C ATOM 799 CZ PHE A 48 -0.421 7.377 -13.180 1.00 0.00 C ATOM 0 H PHE A 48 -1.195 6.974 -6.939 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.719 7.780 -9.300 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -0.623 5.906 -8.655 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.988 5.044 -9.339 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -0.151 8.257 -9.941 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -2.006 4.828 -11.650 1.00 0.00 H new ATOM 0 HE1 PHE A 48 0.477 9.041 -12.183 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.393 5.613 -13.895 1.00 0.00 H new ATOM 0 HZ PHE A 48 -0.151 7.722 -14.167 1.00 0.00 H new ATOM 809 N GLY A 49 -3.741 5.655 -7.020 1.00 0.00 N ATOM 810 CA GLY A 49 -4.914 4.962 -6.532 1.00 0.00 C ATOM 811 C GLY A 49 -4.989 3.560 -7.073 1.00 0.00 C ATOM 812 O GLY A 49 -5.418 2.635 -6.384 1.00 0.00 O ATOM 0 H GLY A 49 -2.926 5.597 -6.410 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -4.894 4.932 -5.443 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -5.810 5.513 -6.819 1.00 0.00 H new ATOM 816 N GLY A 50 -4.544 3.405 -8.309 1.00 0.00 N ATOM 817 CA GLY A 50 -4.538 2.110 -8.933 1.00 0.00 C ATOM 818 C GLY A 50 -3.129 1.600 -9.093 1.00 0.00 C ATOM 819 O GLY A 50 -2.397 2.048 -9.974 1.00 0.00 O ATOM 0 H GLY A 50 -4.185 4.162 -8.891 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.117 1.409 -8.332 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.021 2.169 -9.908 1.00 0.00 H new ATOM 823 N ALA A 51 -2.738 0.680 -8.224 1.00 0.00 N ATOM 824 CA ALA A 51 -1.396 0.125 -8.254 1.00 0.00 C ATOM 825 C ALA A 51 -0.954 -0.227 -9.673 1.00 0.00 C ATOM 826 O ALA A 51 0.140 0.140 -10.100 1.00 0.00 O ATOM 827 CB ALA A 51 -1.313 -1.084 -7.353 1.00 0.00 C ATOM 0 H ALA A 51 -3.334 0.302 -7.488 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.713 0.890 -7.886 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.303 -1.492 -7.383 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.557 -0.794 -6.331 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.020 -1.841 -7.693 1.00 0.00 H new ATOM 833 N ASP A 52 -1.812 -0.937 -10.397 1.00 0.00 N ATOM 834 CA ASP A 52 -1.511 -1.338 -11.767 1.00 0.00 C ATOM 835 C ASP A 52 -1.508 -0.141 -12.716 1.00 0.00 C ATOM 836 O ASP A 52 -1.039 -0.243 -13.849 1.00 0.00 O ATOM 837 CB ASP A 52 -2.526 -2.375 -12.249 1.00 0.00 C ATOM 838 CG ASP A 52 -1.899 -3.428 -13.141 1.00 0.00 C ATOM 839 OD1 ASP A 52 -1.864 -3.220 -14.372 1.00 0.00 O ATOM 840 OD2 ASP A 52 -1.442 -4.462 -12.608 1.00 0.00 O ATOM 0 H ASP A 52 -2.723 -1.247 -10.058 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.513 -1.775 -11.770 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.984 -2.859 -11.386 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.325 -1.871 -12.793 1.00 0.00 H new ATOM 845 N GLN A 53 -2.009 0.998 -12.246 1.00 0.00 N ATOM 846 CA GLN A 53 -2.033 2.205 -13.049 1.00 0.00 C ATOM 847 C GLN A 53 -0.781 3.007 -12.771 1.00 0.00 C ATOM 848 O GLN A 53 -0.237 3.683 -13.644 1.00 0.00 O ATOM 849 CB GLN A 53 -3.283 3.029 -12.736 1.00 0.00 C ATOM 850 CG GLN A 53 -3.479 4.216 -13.665 1.00 0.00 C ATOM 851 CD GLN A 53 -4.807 4.172 -14.396 1.00 0.00 C ATOM 852 OE1 GLN A 53 -5.791 3.637 -13.887 1.00 0.00 O ATOM 853 NE2 GLN A 53 -4.840 4.737 -15.598 1.00 0.00 N ATOM 0 H GLN A 53 -2.403 1.105 -11.311 1.00 0.00 H new ATOM 0 HA GLN A 53 -2.063 1.940 -14.106 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -4.158 2.383 -12.797 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.223 3.389 -11.709 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.417 5.138 -13.088 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -2.668 4.240 -14.393 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.000 5.169 -15.981 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -5.706 4.738 -16.137 1.00 0.00 H new ATOM 862 N VAL A 54 -0.344 2.923 -11.522 1.00 0.00 N ATOM 863 CA VAL A 54 0.829 3.627 -11.062 1.00 0.00 C ATOM 864 C VAL A 54 2.117 2.911 -11.458 1.00 0.00 C ATOM 865 O VAL A 54 3.211 3.464 -11.361 1.00 0.00 O ATOM 866 CB VAL A 54 0.748 3.843 -9.541 1.00 0.00 C ATOM 867 CG1 VAL A 54 1.058 2.614 -8.720 1.00 0.00 C ATOM 868 CG2 VAL A 54 1.651 4.952 -9.134 1.00 0.00 C ATOM 0 H VAL A 54 -0.799 2.361 -10.803 1.00 0.00 H new ATOM 0 HA VAL A 54 0.854 4.601 -11.551 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.293 4.094 -9.335 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.978 2.855 -7.660 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.350 1.823 -8.967 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.071 2.276 -8.940 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.586 5.097 -8.056 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.677 4.704 -9.406 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.353 5.869 -9.642 1.00 0.00 H new ATOM 878 N THR A 55 1.961 1.686 -11.928 1.00 0.00 N ATOM 879 CA THR A 55 3.087 0.869 -12.378 1.00 0.00 C ATOM 880 C THR A 55 3.640 1.365 -13.702 1.00 0.00 C ATOM 881 O THR A 55 4.746 1.006 -14.108 1.00 0.00 O ATOM 882 CB THR A 55 2.653 -0.579 -12.517 1.00 0.00 C ATOM 883 OG1 THR A 55 1.525 -0.689 -13.368 1.00 0.00 O ATOM 884 CG2 THR A 55 2.297 -1.200 -11.196 1.00 0.00 C ATOM 0 H THR A 55 1.055 1.225 -12.011 1.00 0.00 H new ATOM 0 HA THR A 55 3.876 0.947 -11.630 1.00 0.00 H new ATOM 0 HB THR A 55 3.507 -1.108 -12.940 1.00 0.00 H new ATOM 0 HG1 THR A 55 1.263 -1.630 -13.444 1.00 0.00 H new ATOM 0 HG21 THR A 55 1.993 -2.235 -11.351 1.00 0.00 H new ATOM 0 HG22 THR A 55 3.163 -1.171 -10.535 1.00 0.00 H new ATOM 0 HG23 THR A 55 1.476 -0.645 -10.743 1.00 0.00 H new ATOM 892 N ARG A 56 2.856 2.185 -14.368 1.00 0.00 N ATOM 893 CA ARG A 56 3.242 2.742 -15.660 1.00 0.00 C ATOM 894 C ARG A 56 3.227 4.268 -15.635 1.00 0.00 C ATOM 895 O ARG A 56 2.821 4.908 -16.605 1.00 0.00 O ATOM 896 CB ARG A 56 2.306 2.230 -16.757 1.00 0.00 C ATOM 897 CG ARG A 56 0.847 2.594 -16.530 1.00 0.00 C ATOM 898 CD ARG A 56 -0.060 1.380 -16.662 1.00 0.00 C ATOM 899 NE ARG A 56 -0.123 0.891 -18.037 1.00 0.00 N ATOM 900 CZ ARG A 56 -1.083 0.092 -18.497 1.00 0.00 C ATOM 901 NH1 ARG A 56 -2.062 -0.310 -17.696 1.00 0.00 N ATOM 902 NH2 ARG A 56 -1.065 -0.306 -19.762 1.00 0.00 N ATOM 0 H ARG A 56 1.939 2.487 -14.038 1.00 0.00 H new ATOM 0 HA ARG A 56 4.260 2.416 -15.873 1.00 0.00 H new ATOM 0 HB2 ARG A 56 2.628 2.635 -17.716 1.00 0.00 H new ATOM 0 HB3 ARG A 56 2.395 1.146 -16.823 1.00 0.00 H new ATOM 0 HG2 ARG A 56 0.730 3.030 -15.538 1.00 0.00 H new ATOM 0 HG3 ARG A 56 0.545 3.355 -17.250 1.00 0.00 H new ATOM 0 HD2 ARG A 56 0.302 0.585 -16.011 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -1.063 1.638 -16.323 1.00 0.00 H new ATOM 0 HE ARG A 56 0.612 1.179 -18.683 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.081 -0.007 -16.722 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.795 -0.922 -18.054 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.315 0.000 -20.382 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -1.801 -0.918 -20.115 1.00 0.00 H new ATOM 916 N THR A 57 3.669 4.848 -14.523 1.00 0.00 N ATOM 917 CA THR A 57 3.700 6.301 -14.388 1.00 0.00 C ATOM 918 C THR A 57 4.975 6.771 -13.688 1.00 0.00 C ATOM 919 O THR A 57 5.938 6.015 -13.558 1.00 0.00 O ATOM 920 CB THR A 57 2.469 6.784 -13.622 1.00 0.00 C ATOM 921 OG1 THR A 57 2.315 8.190 -13.755 1.00 0.00 O ATOM 922 CG2 THR A 57 2.513 6.450 -12.144 1.00 0.00 C ATOM 0 H THR A 57 4.009 4.338 -13.707 1.00 0.00 H new ATOM 0 HA THR A 57 3.692 6.731 -15.390 1.00 0.00 H new ATOM 0 HB THR A 57 1.624 6.256 -14.064 1.00 0.00 H new ATOM 0 HG1 THR A 57 1.396 8.442 -13.525 1.00 0.00 H new ATOM 0 HG21 THR A 57 1.610 6.821 -11.660 1.00 0.00 H new ATOM 0 HG22 THR A 57 2.575 5.369 -12.017 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.386 6.919 -11.691 1.00 0.00 H new ATOM 930 N GLN A 58 4.973 8.026 -13.243 1.00 0.00 N ATOM 931 CA GLN A 58 6.128 8.602 -12.562 1.00 0.00 C ATOM 932 C GLN A 58 5.952 8.566 -11.046 1.00 0.00 C ATOM 933 O GLN A 58 6.922 8.404 -10.305 1.00 0.00 O ATOM 934 CB GLN A 58 6.357 10.041 -13.031 1.00 0.00 C ATOM 935 CG GLN A 58 7.542 10.191 -13.971 1.00 0.00 C ATOM 936 CD GLN A 58 7.826 11.638 -14.325 1.00 0.00 C ATOM 937 OE1 GLN A 58 8.087 12.463 -13.450 1.00 0.00 O ATOM 938 NE2 GLN A 58 7.777 11.952 -15.614 1.00 0.00 N ATOM 0 H GLN A 58 4.183 8.663 -13.343 1.00 0.00 H new ATOM 0 HA GLN A 58 7.001 8.000 -12.816 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.458 10.399 -13.533 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.511 10.678 -12.160 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.426 9.754 -13.507 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.350 9.628 -14.885 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.557 11.235 -16.305 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.960 12.910 -15.913 1.00 0.00 H new ATOM 947 N GLN A 59 4.711 8.715 -10.586 1.00 0.00 N ATOM 948 CA GLN A 59 4.414 8.695 -9.160 1.00 0.00 C ATOM 949 C GLN A 59 4.980 7.434 -8.509 1.00 0.00 C ATOM 950 O GLN A 59 5.265 7.403 -7.305 1.00 0.00 O ATOM 951 CB GLN A 59 2.900 8.777 -8.942 1.00 0.00 C ATOM 952 CG GLN A 59 2.158 9.541 -10.038 1.00 0.00 C ATOM 953 CD GLN A 59 2.820 10.862 -10.388 1.00 0.00 C ATOM 954 OE1 GLN A 59 3.632 10.937 -11.310 1.00 0.00 O ATOM 955 NE2 GLN A 59 2.473 11.913 -9.653 1.00 0.00 N ATOM 0 H GLN A 59 3.896 8.851 -11.184 1.00 0.00 H new ATOM 0 HA GLN A 59 4.886 9.559 -8.692 1.00 0.00 H new ATOM 0 HB2 GLN A 59 2.496 7.766 -8.880 1.00 0.00 H new ATOM 0 HB3 GLN A 59 2.706 9.257 -7.983 1.00 0.00 H new ATOM 0 HG2 GLN A 59 2.102 8.920 -10.932 1.00 0.00 H new ATOM 0 HG3 GLN A 59 1.134 9.728 -9.714 1.00 0.00 H new ATOM 0 HE21 GLN A 59 1.796 11.806 -8.898 1.00 0.00 H new ATOM 0 HE22 GLN A 59 2.884 12.827 -9.844 1.00 0.00 H new ATOM 964 N TRP A 60 5.153 6.392 -9.314 1.00 0.00 N ATOM 965 CA TRP A 60 5.695 5.141 -8.816 1.00 0.00 C ATOM 966 C TRP A 60 7.050 5.369 -8.182 1.00 0.00 C ATOM 967 O TRP A 60 7.344 4.834 -7.112 1.00 0.00 O ATOM 968 CB TRP A 60 5.812 4.121 -9.939 1.00 0.00 C ATOM 969 CG TRP A 60 5.174 2.799 -9.638 1.00 0.00 C ATOM 970 CD1 TRP A 60 5.256 1.689 -10.415 1.00 0.00 C ATOM 971 CD2 TRP A 60 4.364 2.434 -8.501 1.00 0.00 C ATOM 972 NE1 TRP A 60 4.533 0.665 -9.862 1.00 0.00 N ATOM 973 CE2 TRP A 60 3.986 1.090 -8.681 1.00 0.00 C ATOM 974 CE3 TRP A 60 3.916 3.103 -7.353 1.00 0.00 C ATOM 975 CZ2 TRP A 60 3.187 0.410 -7.764 1.00 0.00 C ATOM 976 CZ3 TRP A 60 3.126 2.424 -6.448 1.00 0.00 C ATOM 977 CH2 TRP A 60 2.769 1.090 -6.658 1.00 0.00 C ATOM 0 H TRP A 60 4.926 6.392 -10.308 1.00 0.00 H new ATOM 0 HA TRP A 60 5.012 4.751 -8.061 1.00 0.00 H new ATOM 0 HB2 TRP A 60 5.357 4.535 -10.839 1.00 0.00 H new ATOM 0 HB3 TRP A 60 6.867 3.960 -10.160 1.00 0.00 H new ATOM 0 HD1 TRP A 60 5.812 1.622 -11.338 1.00 0.00 H new ATOM 0 HE1 TRP A 60 4.420 -0.265 -10.265 1.00 0.00 H new ATOM 0 HE3 TRP A 60 4.185 4.134 -7.180 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 2.908 -0.621 -7.924 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 2.778 2.933 -5.562 1.00 0.00 H new ATOM 0 HH2 TRP A 60 2.150 0.587 -5.930 1.00 0.00 H new ATOM 988 N SER A 61 7.870 6.183 -8.837 1.00 0.00 N ATOM 989 CA SER A 61 9.187 6.494 -8.315 1.00 0.00 C ATOM 990 C SER A 61 9.057 6.909 -6.855 1.00 0.00 C ATOM 991 O SER A 61 9.900 6.581 -6.031 1.00 0.00 O ATOM 992 CB SER A 61 9.840 7.612 -9.130 1.00 0.00 C ATOM 993 OG SER A 61 11.197 7.787 -8.759 1.00 0.00 O ATOM 0 H SER A 61 7.645 6.634 -9.723 1.00 0.00 H new ATOM 0 HA SER A 61 9.821 5.611 -8.389 1.00 0.00 H new ATOM 0 HB2 SER A 61 9.778 7.376 -10.192 1.00 0.00 H new ATOM 0 HB3 SER A 61 9.295 8.544 -8.978 1.00 0.00 H new ATOM 0 HG SER A 61 11.593 8.506 -9.295 1.00 0.00 H new ATOM 999 N MET A 62 7.958 7.599 -6.540 1.00 0.00 N ATOM 1000 CA MET A 62 7.689 8.023 -5.170 1.00 0.00 C ATOM 1001 C MET A 62 7.636 6.797 -4.277 1.00 0.00 C ATOM 1002 O MET A 62 8.357 6.696 -3.285 1.00 0.00 O ATOM 1003 CB MET A 62 6.360 8.776 -5.084 1.00 0.00 C ATOM 1004 CG MET A 62 6.171 9.831 -6.162 1.00 0.00 C ATOM 1005 SD MET A 62 4.547 10.618 -6.090 1.00 0.00 S ATOM 1006 CE MET A 62 3.496 9.229 -5.659 1.00 0.00 C ATOM 0 H MET A 62 7.244 7.874 -7.215 1.00 0.00 H new ATOM 0 HA MET A 62 8.484 8.693 -4.845 1.00 0.00 H new ATOM 0 HB2 MET A 62 5.543 8.057 -5.148 1.00 0.00 H new ATOM 0 HB3 MET A 62 6.289 9.254 -4.107 1.00 0.00 H new ATOM 0 HG2 MET A 62 6.944 10.592 -6.059 1.00 0.00 H new ATOM 0 HG3 MET A 62 6.305 9.372 -7.141 1.00 0.00 H new ATOM 0 HE1 MET A 62 2.451 9.536 -5.701 1.00 0.00 H new ATOM 0 HE2 MET A 62 3.663 8.414 -6.363 1.00 0.00 H new ATOM 0 HE3 MET A 62 3.734 8.892 -4.650 1.00 0.00 H new ATOM 1016 N VAL A 63 6.793 5.847 -4.669 1.00 0.00 N ATOM 1017 CA VAL A 63 6.659 4.592 -3.941 1.00 0.00 C ATOM 1018 C VAL A 63 8.016 3.889 -3.942 1.00 0.00 C ATOM 1019 O VAL A 63 8.739 3.884 -2.941 1.00 0.00 O ATOM 1020 CB VAL A 63 5.575 3.698 -4.604 1.00 0.00 C ATOM 1021 CG1 VAL A 63 5.589 2.279 -4.072 1.00 0.00 C ATOM 1022 CG2 VAL A 63 4.197 4.293 -4.408 1.00 0.00 C ATOM 0 H VAL A 63 6.191 5.924 -5.489 1.00 0.00 H new ATOM 0 HA VAL A 63 6.347 4.785 -2.915 1.00 0.00 H new ATOM 0 HB VAL A 63 5.813 3.660 -5.667 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.813 1.697 -4.568 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.562 1.827 -4.267 1.00 0.00 H new ATOM 0 HG13 VAL A 63 5.403 2.291 -2.998 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.453 3.651 -4.880 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.983 4.373 -3.342 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.161 5.284 -4.861 1.00 0.00 H new ATOM 1032 N ALA A 64 8.350 3.314 -5.088 1.00 0.00 N ATOM 1033 CA ALA A 64 9.623 2.613 -5.285 1.00 0.00 C ATOM 1034 C ALA A 64 10.822 3.308 -4.617 1.00 0.00 C ATOM 1035 O ALA A 64 11.693 2.641 -4.065 1.00 0.00 O ATOM 1036 CB ALA A 64 9.894 2.475 -6.773 1.00 0.00 C ATOM 0 H ALA A 64 7.749 3.317 -5.912 1.00 0.00 H new ATOM 0 HA ALA A 64 9.519 1.639 -4.807 1.00 0.00 H new ATOM 0 HB1 ALA A 64 10.840 1.954 -6.924 1.00 0.00 H new ATOM 0 HB2 ALA A 64 9.089 1.907 -7.238 1.00 0.00 H new ATOM 0 HB3 ALA A 64 9.949 3.465 -7.226 1.00 0.00 H new ATOM 1042 N GLN A 65 10.897 4.636 -4.687 1.00 0.00 N ATOM 1043 CA GLN A 65 12.036 5.349 -4.093 1.00 0.00 C ATOM 1044 C GLN A 65 11.932 5.421 -2.572 1.00 0.00 C ATOM 1045 O GLN A 65 12.941 5.540 -1.878 1.00 0.00 O ATOM 1046 CB GLN A 65 12.175 6.762 -4.676 1.00 0.00 C ATOM 1047 CG GLN A 65 11.220 7.782 -4.070 1.00 0.00 C ATOM 1048 CD GLN A 65 11.929 8.806 -3.206 1.00 0.00 C ATOM 1049 OE1 GLN A 65 12.956 8.515 -2.593 1.00 0.00 O ATOM 1050 NE2 GLN A 65 11.383 10.016 -3.153 1.00 0.00 N ATOM 0 H GLN A 65 10.202 5.232 -5.137 1.00 0.00 H new ATOM 0 HA GLN A 65 12.929 4.777 -4.345 1.00 0.00 H new ATOM 0 HB2 GLN A 65 13.199 7.106 -4.527 1.00 0.00 H new ATOM 0 HB3 GLN A 65 12.007 6.718 -5.752 1.00 0.00 H new ATOM 0 HG2 GLN A 65 10.687 8.295 -4.871 1.00 0.00 H new ATOM 0 HG3 GLN A 65 10.472 7.262 -3.471 1.00 0.00 H new ATOM 0 HE21 GLN A 65 10.531 10.214 -3.677 1.00 0.00 H new ATOM 0 HE22 GLN A 65 11.816 10.747 -2.588 1.00 0.00 H new ATOM 1059 N ARG A 66 10.711 5.361 -2.061 1.00 0.00 N ATOM 1060 CA ARG A 66 10.481 5.433 -0.624 1.00 0.00 C ATOM 1061 C ARG A 66 11.078 4.236 0.102 1.00 0.00 C ATOM 1062 O ARG A 66 11.843 4.392 1.054 1.00 0.00 O ATOM 1063 CB ARG A 66 8.987 5.505 -0.339 1.00 0.00 C ATOM 1064 CG ARG A 66 8.598 6.686 0.536 1.00 0.00 C ATOM 1065 CD ARG A 66 7.625 6.277 1.632 1.00 0.00 C ATOM 1066 NE ARG A 66 7.273 7.399 2.498 1.00 0.00 N ATOM 1067 CZ ARG A 66 8.092 7.917 3.411 1.00 0.00 C ATOM 1068 NH1 ARG A 66 9.311 7.418 3.578 1.00 0.00 N ATOM 1069 NH2 ARG A 66 7.691 8.936 4.159 1.00 0.00 N ATOM 0 H ARG A 66 9.863 5.263 -2.620 1.00 0.00 H new ATOM 0 HA ARG A 66 10.973 6.333 -0.256 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.447 5.568 -1.284 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.672 4.582 0.148 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.493 7.116 0.986 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.146 7.463 -0.081 1.00 0.00 H new ATOM 0 HD2 ARG A 66 6.720 5.870 1.180 1.00 0.00 H new ATOM 0 HD3 ARG A 66 8.068 5.481 2.231 1.00 0.00 H new ATOM 0 HE ARG A 66 6.345 7.810 2.397 1.00 0.00 H new ATOM 0 HH11 ARG A 66 9.624 6.634 3.005 1.00 0.00 H new ATOM 0 HH12 ARG A 66 9.934 7.819 4.279 1.00 0.00 H new ATOM 0 HH21 ARG A 66 6.755 9.323 4.035 1.00 0.00 H new ATOM 0 HH22 ARG A 66 8.318 9.333 4.859 1.00 0.00 H new ATOM 1083 N LEU A 67 10.709 3.041 -0.341 1.00 0.00 N ATOM 1084 CA LEU A 67 11.195 1.817 0.283 1.00 0.00 C ATOM 1085 C LEU A 67 12.610 1.457 -0.182 1.00 0.00 C ATOM 1086 O LEU A 67 13.080 0.344 0.053 1.00 0.00 O ATOM 1087 CB LEU A 67 10.226 0.662 0.007 1.00 0.00 C ATOM 1088 CG LEU A 67 10.235 0.118 -1.423 1.00 0.00 C ATOM 1089 CD1 LEU A 67 9.586 -1.257 -1.475 1.00 0.00 C ATOM 1090 CD2 LEU A 67 9.522 1.073 -2.368 1.00 0.00 C ATOM 0 H LEU A 67 10.077 2.893 -1.128 1.00 0.00 H new ATOM 0 HA LEU A 67 11.245 1.992 1.358 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.460 -0.156 0.689 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.215 0.995 0.243 1.00 0.00 H new ATOM 0 HG LEU A 67 11.273 0.026 -1.744 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.601 -1.628 -2.500 1.00 0.00 H new ATOM 0 HD12 LEU A 67 10.137 -1.944 -0.832 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.554 -1.186 -1.130 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.541 0.666 -3.379 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.488 1.199 -2.046 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.026 2.040 -2.357 1.00 0.00 H new ATOM 1102 N GLN A 68 13.292 2.403 -0.831 1.00 0.00 N ATOM 1103 CA GLN A 68 14.653 2.178 -1.308 1.00 0.00 C ATOM 1104 C GLN A 68 14.735 0.905 -2.140 1.00 0.00 C ATOM 1105 O GLN A 68 15.410 -0.056 -1.768 1.00 0.00 O ATOM 1106 CB GLN A 68 15.624 2.104 -0.126 1.00 0.00 C ATOM 1107 CG GLN A 68 16.402 3.391 0.101 1.00 0.00 C ATOM 1108 CD GLN A 68 16.312 3.884 1.532 1.00 0.00 C ATOM 1109 OE1 GLN A 68 16.654 3.166 2.472 1.00 0.00 O ATOM 1110 NE2 GLN A 68 15.850 5.117 1.705 1.00 0.00 N ATOM 0 H GLN A 68 12.922 3.331 -1.037 1.00 0.00 H new ATOM 0 HA GLN A 68 14.934 3.018 -1.943 1.00 0.00 H new ATOM 0 HB2 GLN A 68 15.066 1.862 0.778 1.00 0.00 H new ATOM 0 HB3 GLN A 68 16.327 1.288 -0.294 1.00 0.00 H new ATOM 0 HG2 GLN A 68 17.448 3.229 -0.158 1.00 0.00 H new ATOM 0 HG3 GLN A 68 16.024 4.163 -0.569 1.00 0.00 H new ATOM 0 HE21 GLN A 68 15.578 5.678 0.898 1.00 0.00 H new ATOM 0 HE22 GLN A 68 15.767 5.503 2.645 1.00 0.00 H new ATOM 1119 N ILE A 69 14.035 0.904 -3.265 1.00 0.00 N ATOM 1120 CA ILE A 69 14.019 -0.254 -4.149 1.00 0.00 C ATOM 1121 C ILE A 69 14.265 0.148 -5.602 1.00 0.00 C ATOM 1122 O ILE A 69 15.026 -0.506 -6.315 1.00 0.00 O ATOM 1123 CB ILE A 69 12.679 -1.011 -4.037 1.00 0.00 C ATOM 1124 CG1 ILE A 69 12.596 -2.138 -5.068 1.00 0.00 C ATOM 1125 CG2 ILE A 69 11.518 -0.048 -4.210 1.00 0.00 C ATOM 1126 CD1 ILE A 69 13.709 -3.157 -4.952 1.00 0.00 C ATOM 0 H ILE A 69 13.471 1.690 -3.588 1.00 0.00 H new ATOM 0 HA ILE A 69 14.828 -0.913 -3.833 1.00 0.00 H new ATOM 0 HB ILE A 69 12.622 -1.459 -3.045 1.00 0.00 H new ATOM 0 HG12 ILE A 69 11.638 -2.647 -4.960 1.00 0.00 H new ATOM 0 HG13 ILE A 69 12.616 -1.705 -6.068 1.00 0.00 H new ATOM 0 HG21 ILE A 69 10.578 -0.593 -4.129 1.00 0.00 H new ATOM 0 HG22 ILE A 69 11.561 0.717 -3.435 1.00 0.00 H new ATOM 0 HG23 ILE A 69 11.580 0.424 -5.190 1.00 0.00 H new ATOM 0 HD11 ILE A 69 13.581 -3.924 -5.716 1.00 0.00 H new ATOM 0 HD12 ILE A 69 14.671 -2.663 -5.091 1.00 0.00 H new ATOM 0 HD13 ILE A 69 13.678 -3.619 -3.965 1.00 0.00 H new ATOM 1138 N SER A 70 13.614 1.221 -6.037 1.00 0.00 N ATOM 1139 CA SER A 70 13.763 1.700 -7.409 1.00 0.00 C ATOM 1140 C SER A 70 13.422 0.594 -8.403 1.00 0.00 C ATOM 1141 O SER A 70 14.005 0.510 -9.484 1.00 0.00 O ATOM 1142 CB SER A 70 15.190 2.197 -7.648 1.00 0.00 C ATOM 1143 OG SER A 70 16.072 1.117 -7.897 1.00 0.00 O ATOM 0 H SER A 70 12.979 1.775 -5.462 1.00 0.00 H new ATOM 0 HA SER A 70 13.071 2.529 -7.559 1.00 0.00 H new ATOM 0 HB2 SER A 70 15.202 2.883 -8.495 1.00 0.00 H new ATOM 0 HB3 SER A 70 15.533 2.758 -6.779 1.00 0.00 H new ATOM 0 HG SER A 70 16.155 0.569 -7.089 1.00 0.00 H new ATOM 1149 N ASP A 71 12.479 -0.257 -8.016 1.00 0.00 N ATOM 1150 CA ASP A 71 12.051 -1.372 -8.851 1.00 0.00 C ATOM 1151 C ASP A 71 10.535 -1.352 -9.031 1.00 0.00 C ATOM 1152 O ASP A 71 9.845 -2.241 -8.542 1.00 0.00 O ATOM 1153 CB ASP A 71 12.486 -2.690 -8.201 1.00 0.00 C ATOM 1154 CG ASP A 71 12.804 -3.765 -9.221 1.00 0.00 C ATOM 1155 OD1 ASP A 71 12.097 -3.837 -10.248 1.00 0.00 O ATOM 1156 OD2 ASP A 71 13.760 -4.535 -8.994 1.00 0.00 O ATOM 0 H ASP A 71 11.993 -0.194 -7.121 1.00 0.00 H new ATOM 0 HA ASP A 71 12.515 -1.281 -9.833 1.00 0.00 H new ATOM 0 HB2 ASP A 71 13.364 -2.512 -7.580 1.00 0.00 H new ATOM 0 HB3 ASP A 71 11.695 -3.044 -7.540 1.00 0.00 H new ATOM 1161 N TYR A 72 10.031 -0.322 -9.726 1.00 0.00 N ATOM 1162 CA TYR A 72 8.592 -0.146 -9.969 1.00 0.00 C ATOM 1163 C TYR A 72 7.856 -1.474 -10.034 1.00 0.00 C ATOM 1164 O TYR A 72 6.760 -1.624 -9.489 1.00 0.00 O ATOM 1165 CB TYR A 72 8.364 0.644 -11.253 1.00 0.00 C ATOM 1166 CG TYR A 72 9.266 0.232 -12.396 1.00 0.00 C ATOM 1167 CD1 TYR A 72 10.542 0.766 -12.529 1.00 0.00 C ATOM 1168 CD2 TYR A 72 8.839 -0.691 -13.342 1.00 0.00 C ATOM 1169 CE1 TYR A 72 11.367 0.391 -13.573 1.00 0.00 C ATOM 1170 CE2 TYR A 72 9.658 -1.071 -14.389 1.00 0.00 C ATOM 1171 CZ TYR A 72 10.920 -0.527 -14.500 1.00 0.00 C ATOM 1172 OH TYR A 72 11.738 -0.903 -15.541 1.00 0.00 O ATOM 0 H TYR A 72 10.609 0.412 -10.135 1.00 0.00 H new ATOM 0 HA TYR A 72 8.187 0.412 -9.125 1.00 0.00 H new ATOM 0 HB2 TYR A 72 7.325 0.525 -11.562 1.00 0.00 H new ATOM 0 HB3 TYR A 72 8.516 1.704 -11.048 1.00 0.00 H new ATOM 0 HD1 TYR A 72 10.895 1.486 -11.805 1.00 0.00 H new ATOM 0 HD2 TYR A 72 7.851 -1.119 -13.258 1.00 0.00 H new ATOM 0 HE1 TYR A 72 12.356 0.815 -13.662 1.00 0.00 H new ATOM 0 HE2 TYR A 72 9.311 -1.790 -15.116 1.00 0.00 H new ATOM 0 HH TYR A 72 11.273 -1.557 -16.103 1.00 0.00 H new ATOM 1182 N GLN A 73 8.457 -2.441 -10.697 1.00 0.00 N ATOM 1183 CA GLN A 73 7.857 -3.743 -10.814 1.00 0.00 C ATOM 1184 C GLN A 73 7.584 -4.362 -9.451 1.00 0.00 C ATOM 1185 O GLN A 73 6.482 -4.846 -9.183 1.00 0.00 O ATOM 1186 CB GLN A 73 8.779 -4.630 -11.609 1.00 0.00 C ATOM 1187 CG GLN A 73 8.195 -5.001 -12.936 1.00 0.00 C ATOM 1188 CD GLN A 73 7.364 -6.267 -12.844 1.00 0.00 C ATOM 1189 OE1 GLN A 73 6.472 -6.304 -11.849 1.00 0.00 O flip ATOM 1190 NE2 GLN A 73 7.514 -7.190 -13.645 1.00 0.00 N flip ATOM 0 H GLN A 73 9.360 -2.344 -11.161 1.00 0.00 H new ATOM 0 HA GLN A 73 6.898 -3.641 -11.321 1.00 0.00 H new ATOM 0 HB2 GLN A 73 9.730 -4.120 -11.762 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.990 -5.535 -11.040 1.00 0.00 H new ATOM 0 HG2 GLN A 73 7.575 -4.183 -13.303 1.00 0.00 H new ATOM 0 HG3 GLN A 73 8.997 -5.143 -13.661 1.00 0.00 H new ATOM 0 HE21 GLN A 73 8.209 -7.113 -14.388 1.00 0.00 H new ATOM 0 HE22 GLN A 73 6.943 -8.032 -13.566 1.00 0.00 H new ATOM 1199 N GLN A 74 8.586 -4.333 -8.584 1.00 0.00 N ATOM 1200 CA GLN A 74 8.438 -4.879 -7.254 1.00 0.00 C ATOM 1201 C GLN A 74 7.330 -4.141 -6.536 1.00 0.00 C ATOM 1202 O GLN A 74 6.609 -4.715 -5.727 1.00 0.00 O ATOM 1203 CB GLN A 74 9.749 -4.757 -6.474 1.00 0.00 C ATOM 1204 CG GLN A 74 10.030 -5.942 -5.567 1.00 0.00 C ATOM 1205 CD GLN A 74 10.218 -7.233 -6.339 1.00 0.00 C ATOM 1206 OE1 GLN A 74 11.237 -7.431 -7.001 1.00 0.00 O ATOM 1207 NE2 GLN A 74 9.234 -8.121 -6.258 1.00 0.00 N ATOM 0 H GLN A 74 9.505 -3.937 -8.782 1.00 0.00 H new ATOM 0 HA GLN A 74 8.185 -5.937 -7.326 1.00 0.00 H new ATOM 0 HB2 GLN A 74 10.573 -4.647 -7.179 1.00 0.00 H new ATOM 0 HB3 GLN A 74 9.721 -3.848 -5.872 1.00 0.00 H new ATOM 0 HG2 GLN A 74 10.925 -5.741 -4.979 1.00 0.00 H new ATOM 0 HG3 GLN A 74 9.206 -6.060 -4.863 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.407 -7.916 -5.698 1.00 0.00 H new ATOM 0 HE22 GLN A 74 9.305 -9.008 -6.756 1.00 0.00 H new ATOM 1216 N LEU A 75 7.200 -2.856 -6.856 1.00 0.00 N ATOM 1217 CA LEU A 75 6.192 -2.016 -6.262 1.00 0.00 C ATOM 1218 C LEU A 75 4.827 -2.638 -6.345 1.00 0.00 C ATOM 1219 O LEU A 75 4.291 -3.093 -5.347 1.00 0.00 O ATOM 1220 CB LEU A 75 6.205 -0.656 -6.917 1.00 0.00 C ATOM 1221 CG LEU A 75 7.385 0.183 -6.489 1.00 0.00 C ATOM 1222 CD1 LEU A 75 7.417 0.249 -4.980 1.00 0.00 C ATOM 1223 CD2 LEU A 75 8.684 -0.394 -7.010 1.00 0.00 C ATOM 0 H LEU A 75 7.794 -2.379 -7.534 1.00 0.00 H new ATOM 0 HA LEU A 75 6.427 -1.903 -5.204 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.225 -0.778 -8.000 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.282 -0.130 -6.672 1.00 0.00 H new ATOM 0 HG LEU A 75 7.275 1.184 -6.905 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.266 0.853 -4.660 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.494 0.699 -4.616 1.00 0.00 H new ATOM 0 HD13 LEU A 75 7.514 -0.758 -4.574 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.516 0.231 -6.686 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.816 -1.404 -6.621 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.657 -0.426 -8.099 1.00 0.00 H new ATOM 1235 N GLU A 76 4.243 -2.689 -7.519 1.00 0.00 N ATOM 1236 CA GLU A 76 2.933 -3.302 -7.592 1.00 0.00 C ATOM 1237 C GLU A 76 2.995 -4.749 -7.130 1.00 0.00 C ATOM 1238 O GLU A 76 1.977 -5.338 -6.787 1.00 0.00 O ATOM 1239 CB GLU A 76 2.296 -3.197 -8.952 1.00 0.00 C ATOM 1240 CG GLU A 76 0.791 -3.330 -8.854 1.00 0.00 C ATOM 1241 CD GLU A 76 0.114 -3.501 -10.198 1.00 0.00 C ATOM 1242 OE1 GLU A 76 0.829 -3.581 -11.219 1.00 0.00 O ATOM 1243 OE2 GLU A 76 -1.133 -3.560 -10.229 1.00 0.00 O ATOM 0 H GLU A 76 4.626 -2.335 -8.395 1.00 0.00 H new ATOM 0 HA GLU A 76 2.290 -2.737 -6.916 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.552 -2.239 -9.405 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.692 -3.975 -9.605 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.550 -4.185 -8.222 1.00 0.00 H new ATOM 0 HG3 GLU A 76 0.387 -2.446 -8.362 1.00 0.00 H new ATOM 1250 N SER A 77 4.202 -5.301 -7.034 1.00 0.00 N ATOM 1251 CA SER A 77 4.352 -6.641 -6.509 1.00 0.00 C ATOM 1252 C SER A 77 3.987 -6.550 -5.038 1.00 0.00 C ATOM 1253 O SER A 77 3.461 -7.478 -4.429 1.00 0.00 O ATOM 1254 CB SER A 77 5.785 -7.148 -6.686 1.00 0.00 C ATOM 1255 OG SER A 77 5.803 -8.530 -7.001 1.00 0.00 O ATOM 0 H SER A 77 5.072 -4.845 -7.309 1.00 0.00 H new ATOM 0 HA SER A 77 3.713 -7.348 -7.038 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.278 -6.585 -7.479 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.351 -6.973 -5.771 1.00 0.00 H new ATOM 0 HG SER A 77 6.730 -8.829 -7.110 1.00 0.00 H new ATOM 1261 N ILE A 78 4.242 -5.363 -4.504 1.00 0.00 N ATOM 1262 CA ILE A 78 3.934 -5.034 -3.139 1.00 0.00 C ATOM 1263 C ILE A 78 2.442 -4.828 -2.981 1.00 0.00 C ATOM 1264 O ILE A 78 1.792 -5.429 -2.129 1.00 0.00 O ATOM 1265 CB ILE A 78 4.649 -3.715 -2.698 1.00 0.00 C ATOM 1266 CG1 ILE A 78 3.775 -2.464 -2.958 1.00 0.00 C ATOM 1267 CG2 ILE A 78 5.986 -3.549 -3.385 1.00 0.00 C ATOM 1268 CD1 ILE A 78 3.815 -1.457 -1.842 1.00 0.00 C ATOM 0 H ILE A 78 4.675 -4.599 -5.023 1.00 0.00 H new ATOM 0 HA ILE A 78 4.280 -5.861 -2.519 1.00 0.00 H new ATOM 0 HB ILE A 78 4.813 -3.803 -1.624 1.00 0.00 H new ATOM 0 HG12 ILE A 78 4.106 -1.985 -3.880 1.00 0.00 H new ATOM 0 HG13 ILE A 78 2.743 -2.779 -3.115 1.00 0.00 H new ATOM 0 HG21 ILE A 78 6.453 -2.621 -3.053 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.632 -4.390 -3.133 1.00 0.00 H new ATOM 0 HG23 ILE A 78 5.839 -3.515 -4.464 1.00 0.00 H new ATOM 0 HD11 ILE A 78 3.179 -0.608 -2.095 1.00 0.00 H new ATOM 0 HD12 ILE A 78 3.455 -1.919 -0.922 1.00 0.00 H new ATOM 0 HD13 ILE A 78 4.839 -1.113 -1.699 1.00 0.00 H new ATOM 1280 N TYR A 79 1.931 -3.927 -3.809 1.00 0.00 N ATOM 1281 CA TYR A 79 0.547 -3.548 -3.781 1.00 0.00 C ATOM 1282 C TYR A 79 -0.317 -4.666 -4.286 1.00 0.00 C ATOM 1283 O TYR A 79 -1.229 -5.127 -3.609 1.00 0.00 O ATOM 1284 CB TYR A 79 0.344 -2.290 -4.632 1.00 0.00 C ATOM 1285 CG TYR A 79 -1.013 -1.633 -4.457 1.00 0.00 C ATOM 1286 CD1 TYR A 79 -2.197 -2.356 -4.572 1.00 0.00 C ATOM 1287 CD2 TYR A 79 -1.104 -0.279 -4.169 1.00 0.00 C ATOM 1288 CE1 TYR A 79 -3.426 -1.743 -4.405 1.00 0.00 C ATOM 1289 CE2 TYR A 79 -2.331 0.337 -4.001 1.00 0.00 C ATOM 1290 CZ TYR A 79 -3.486 -0.399 -4.120 1.00 0.00 C ATOM 1291 OH TYR A 79 -4.708 0.212 -3.954 1.00 0.00 O ATOM 0 H TYR A 79 2.479 -3.442 -4.520 1.00 0.00 H new ATOM 0 HA TYR A 79 0.258 -3.335 -2.752 1.00 0.00 H new ATOM 0 HB2 TYR A 79 1.120 -1.567 -4.382 1.00 0.00 H new ATOM 0 HB3 TYR A 79 0.477 -2.550 -5.682 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -2.156 -3.412 -4.795 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -0.200 0.305 -4.074 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -4.335 -2.318 -4.498 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -2.381 1.392 -3.777 1.00 0.00 H new ATOM 0 HH TYR A 79 -4.747 1.021 -4.505 1.00 0.00 H new ATOM 1301 N PHE A 80 -0.027 -5.071 -5.498 1.00 0.00 N ATOM 1302 CA PHE A 80 -0.800 -6.115 -6.157 1.00 0.00 C ATOM 1303 C PHE A 80 -0.448 -7.534 -5.723 1.00 0.00 C ATOM 1304 O PHE A 80 -1.354 -8.340 -5.475 1.00 0.00 O ATOM 1305 CB PHE A 80 -0.643 -6.001 -7.683 1.00 0.00 C ATOM 1306 CG PHE A 80 -1.194 -7.164 -8.474 1.00 0.00 C ATOM 1307 CD1 PHE A 80 -2.276 -7.900 -8.015 1.00 0.00 C ATOM 1308 CD2 PHE A 80 -0.621 -7.516 -9.687 1.00 0.00 C ATOM 1309 CE1 PHE A 80 -2.773 -8.961 -8.748 1.00 0.00 C ATOM 1310 CE2 PHE A 80 -1.114 -8.576 -10.424 1.00 0.00 C ATOM 1311 CZ PHE A 80 -2.192 -9.299 -9.953 1.00 0.00 C ATOM 0 H PHE A 80 0.740 -4.697 -6.056 1.00 0.00 H new ATOM 0 HA PHE A 80 -1.833 -5.948 -5.852 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -1.138 -5.089 -8.016 1.00 0.00 H new ATOM 0 HB3 PHE A 80 0.416 -5.893 -7.916 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.736 -7.641 -7.073 1.00 0.00 H new ATOM 0 HD2 PHE A 80 0.222 -6.954 -10.061 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -3.616 -9.525 -8.378 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -0.657 -8.838 -11.367 1.00 0.00 H new ATOM 0 HZ PHE A 80 -2.580 -10.128 -10.527 1.00 0.00 H new ATOM 1321 N ARG A 81 0.844 -7.869 -5.691 1.00 0.00 N ATOM 1322 CA ARG A 81 1.237 -9.242 -5.384 1.00 0.00 C ATOM 1323 C ARG A 81 1.189 -9.604 -3.907 1.00 0.00 C ATOM 1324 O ARG A 81 1.018 -10.777 -3.575 1.00 0.00 O ATOM 1325 CB ARG A 81 2.612 -9.544 -5.975 1.00 0.00 C ATOM 1326 CG ARG A 81 2.581 -9.811 -7.474 1.00 0.00 C ATOM 1327 CD ARG A 81 1.771 -8.756 -8.219 1.00 0.00 C ATOM 1328 NE ARG A 81 2.178 -8.640 -9.618 1.00 0.00 N ATOM 1329 CZ ARG A 81 1.789 -9.478 -10.575 1.00 0.00 C ATOM 1330 NH1 ARG A 81 0.985 -10.495 -10.291 1.00 0.00 N ATOM 1331 NH2 ARG A 81 2.205 -9.299 -11.822 1.00 0.00 N ATOM 0 H ARG A 81 1.616 -7.226 -5.869 1.00 0.00 H new ATOM 0 HA ARG A 81 0.484 -9.875 -5.853 1.00 0.00 H new ATOM 0 HB2 ARG A 81 3.277 -8.703 -5.777 1.00 0.00 H new ATOM 0 HB3 ARG A 81 3.035 -10.411 -5.468 1.00 0.00 H new ATOM 0 HG2 ARG A 81 3.600 -9.828 -7.862 1.00 0.00 H new ATOM 0 HG3 ARG A 81 2.153 -10.796 -7.659 1.00 0.00 H new ATOM 0 HD2 ARG A 81 0.712 -9.010 -8.169 1.00 0.00 H new ATOM 0 HD3 ARG A 81 1.891 -7.792 -7.725 1.00 0.00 H new ATOM 0 HE ARG A 81 2.797 -7.871 -9.876 1.00 0.00 H new ATOM 0 HH11 ARG A 81 0.662 -10.638 -9.334 1.00 0.00 H new ATOM 0 HH12 ARG A 81 0.690 -11.134 -11.030 1.00 0.00 H new ATOM 0 HH21 ARG A 81 2.823 -8.519 -12.047 1.00 0.00 H new ATOM 0 HH22 ARG A 81 1.907 -9.941 -12.556 1.00 0.00 H new ATOM 1345 N ILE A 82 1.331 -8.638 -3.013 1.00 0.00 N ATOM 1346 CA ILE A 82 1.284 -8.964 -1.599 1.00 0.00 C ATOM 1347 C ILE A 82 -0.106 -8.709 -1.022 1.00 0.00 C ATOM 1348 O ILE A 82 -0.588 -9.489 -0.203 1.00 0.00 O ATOM 1349 CB ILE A 82 2.371 -8.217 -0.800 1.00 0.00 C ATOM 1350 CG1 ILE A 82 3.748 -8.645 -1.307 1.00 0.00 C ATOM 1351 CG2 ILE A 82 2.247 -8.510 0.688 1.00 0.00 C ATOM 1352 CD1 ILE A 82 4.898 -7.983 -0.581 1.00 0.00 C ATOM 0 H ILE A 82 1.475 -7.652 -3.232 1.00 0.00 H new ATOM 0 HA ILE A 82 1.495 -10.029 -1.504 1.00 0.00 H new ATOM 0 HB ILE A 82 2.243 -7.144 -0.944 1.00 0.00 H new ATOM 0 HG12 ILE A 82 3.842 -9.726 -1.207 1.00 0.00 H new ATOM 0 HG13 ILE A 82 3.821 -8.415 -2.370 1.00 0.00 H new ATOM 0 HG21 ILE A 82 3.024 -7.972 1.231 1.00 0.00 H new ATOM 0 HG22 ILE A 82 1.268 -8.188 1.042 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.360 -9.581 0.859 1.00 0.00 H new ATOM 0 HD11 ILE A 82 5.842 -8.336 -0.996 1.00 0.00 H new ATOM 0 HD12 ILE A 82 4.830 -6.902 -0.702 1.00 0.00 H new ATOM 0 HD13 ILE A 82 4.851 -8.233 0.479 1.00 0.00 H new ATOM 1364 N LEU A 83 -0.767 -7.644 -1.471 1.00 0.00 N ATOM 1365 CA LEU A 83 -2.112 -7.345 -0.991 1.00 0.00 C ATOM 1366 C LEU A 83 -2.814 -6.333 -1.881 1.00 0.00 C ATOM 1367 O LEU A 83 -3.048 -5.208 -1.459 1.00 0.00 O ATOM 1368 CB LEU A 83 -2.094 -6.812 0.445 1.00 0.00 C ATOM 1369 CG LEU A 83 -1.266 -5.546 0.696 1.00 0.00 C ATOM 1370 CD1 LEU A 83 -1.056 -5.344 2.187 1.00 0.00 C ATOM 1371 CD2 LEU A 83 0.073 -5.604 -0.022 1.00 0.00 C ATOM 0 H LEU A 83 -0.399 -6.984 -2.156 1.00 0.00 H new ATOM 0 HA LEU A 83 -2.661 -8.286 -1.017 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.122 -6.612 0.747 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.717 -7.600 1.097 1.00 0.00 H new ATOM 0 HG LEU A 83 -1.822 -4.698 0.295 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.467 -4.442 2.353 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.023 -5.241 2.680 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.528 -6.203 2.600 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.633 -4.691 0.178 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.640 -6.463 0.335 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.093 -5.700 -1.095 1.00 0.00 H new ATOM 1383 N LEU A 84 -3.164 -6.709 -3.110 1.00 0.00 N ATOM 1384 CA LEU A 84 -3.842 -5.769 -3.990 1.00 0.00 C ATOM 1385 C LEU A 84 -5.093 -5.185 -3.281 1.00 0.00 C ATOM 1386 O LEU A 84 -5.077 -4.042 -2.823 1.00 0.00 O ATOM 1387 CB LEU A 84 -4.162 -6.456 -5.345 1.00 0.00 C ATOM 1388 CG LEU A 84 -4.865 -5.595 -6.395 1.00 0.00 C ATOM 1389 CD1 LEU A 84 -5.096 -4.214 -5.847 1.00 0.00 C ATOM 1390 CD2 LEU A 84 -4.058 -5.534 -7.683 1.00 0.00 C ATOM 0 H LEU A 84 -2.994 -7.633 -3.508 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.193 -4.923 -4.214 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.228 -6.821 -5.772 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.784 -7.329 -5.147 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.827 -6.050 -6.630 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.597 -3.604 -6.598 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.719 -4.276 -4.955 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -4.139 -3.760 -5.590 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.582 -4.915 -8.412 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.078 -5.103 -7.478 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.935 -6.540 -8.083 1.00 0.00 H new ATOM 1402 N PRO A 85 -6.169 -5.973 -3.171 1.00 0.00 N ATOM 1403 CA PRO A 85 -7.438 -5.606 -2.517 1.00 0.00 C ATOM 1404 C PRO A 85 -7.280 -4.845 -1.195 1.00 0.00 C ATOM 1405 O PRO A 85 -7.747 -3.716 -1.068 1.00 0.00 O ATOM 1406 CB PRO A 85 -8.087 -6.985 -2.251 1.00 0.00 C ATOM 1407 CG PRO A 85 -7.011 -7.973 -2.574 1.00 0.00 C ATOM 1408 CD PRO A 85 -6.244 -7.320 -3.664 1.00 0.00 C ATOM 0 HA PRO A 85 -8.014 -4.924 -3.142 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -8.413 -7.077 -1.215 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -8.967 -7.137 -2.876 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -6.381 -8.175 -1.708 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -7.428 -8.928 -2.895 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -5.259 -7.766 -3.800 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -6.757 -7.381 -4.624 1.00 0.00 H new ATOM 1416 N TYR A 86 -6.652 -5.483 -0.203 1.00 0.00 N ATOM 1417 CA TYR A 86 -6.470 -4.880 1.124 1.00 0.00 C ATOM 1418 C TYR A 86 -6.133 -3.397 1.049 1.00 0.00 C ATOM 1419 O TYR A 86 -6.498 -2.622 1.934 1.00 0.00 O ATOM 1420 CB TYR A 86 -5.395 -5.629 1.910 1.00 0.00 C ATOM 1421 CG TYR A 86 -5.917 -6.189 3.211 1.00 0.00 C ATOM 1422 CD1 TYR A 86 -6.488 -5.353 4.160 1.00 0.00 C ATOM 1423 CD2 TYR A 86 -5.858 -7.550 3.483 1.00 0.00 C ATOM 1424 CE1 TYR A 86 -6.983 -5.853 5.347 1.00 0.00 C ATOM 1425 CE2 TYR A 86 -6.355 -8.060 4.667 1.00 0.00 C ATOM 1426 CZ TYR A 86 -6.916 -7.208 5.596 1.00 0.00 C ATOM 1427 OH TYR A 86 -7.413 -7.714 6.775 1.00 0.00 O ATOM 0 H TYR A 86 -6.259 -6.420 -0.293 1.00 0.00 H new ATOM 0 HA TYR A 86 -7.423 -4.967 1.645 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -5.003 -6.442 1.299 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -4.563 -4.955 2.116 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -6.546 -4.292 3.966 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -5.417 -8.219 2.759 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -7.420 -5.187 6.077 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -6.305 -9.121 4.864 1.00 0.00 H new ATOM 0 HH TYR A 86 -7.289 -8.686 6.792 1.00 0.00 H new ATOM 1437 N GLU A 87 -5.446 -3.007 -0.006 1.00 0.00 N ATOM 1438 CA GLU A 87 -5.069 -1.616 -0.195 1.00 0.00 C ATOM 1439 C GLU A 87 -6.144 -0.880 -0.976 1.00 0.00 C ATOM 1440 O GLU A 87 -6.482 0.260 -0.669 1.00 0.00 O ATOM 1441 CB GLU A 87 -3.736 -1.548 -0.926 1.00 0.00 C ATOM 1442 CG GLU A 87 -2.804 -2.674 -0.534 1.00 0.00 C ATOM 1443 CD GLU A 87 -1.358 -2.386 -0.883 1.00 0.00 C ATOM 1444 OE1 GLU A 87 -1.119 -1.540 -1.767 1.00 0.00 O ATOM 1445 OE2 GLU A 87 -0.464 -3.000 -0.266 1.00 0.00 O ATOM 0 H GLU A 87 -5.136 -3.634 -0.749 1.00 0.00 H new ATOM 0 HA GLU A 87 -4.966 -1.135 0.778 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.912 -1.584 -2.001 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -3.256 -0.593 -0.713 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -2.886 -2.851 0.538 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -3.118 -3.590 -1.033 1.00 0.00 H new ATOM 1452 N ARG A 88 -6.678 -1.552 -1.986 1.00 0.00 N ATOM 1453 CA ARG A 88 -7.727 -0.979 -2.827 1.00 0.00 C ATOM 1454 C ARG A 88 -9.118 -1.196 -2.227 1.00 0.00 C ATOM 1455 O ARG A 88 -10.129 -0.977 -2.895 1.00 0.00 O ATOM 1456 CB ARG A 88 -7.674 -1.601 -4.221 1.00 0.00 C ATOM 1457 CG ARG A 88 -8.075 -0.646 -5.335 1.00 0.00 C ATOM 1458 CD ARG A 88 -9.496 -0.904 -5.814 1.00 0.00 C ATOM 1459 NE ARG A 88 -9.748 -2.324 -6.053 1.00 0.00 N ATOM 1460 CZ ARG A 88 -10.963 -2.868 -6.083 1.00 0.00 C ATOM 1461 NH1 ARG A 88 -12.041 -2.115 -5.898 1.00 0.00 N ATOM 1462 NH2 ARG A 88 -11.102 -4.168 -6.301 1.00 0.00 N ATOM 0 H ARG A 88 -6.403 -2.499 -2.246 1.00 0.00 H new ATOM 0 HA ARG A 88 -7.548 0.094 -2.890 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -6.663 -1.961 -4.410 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -8.331 -2.470 -4.246 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -7.991 0.382 -4.981 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -7.384 -0.752 -6.171 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -10.201 -0.531 -5.071 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -9.675 -0.345 -6.732 1.00 0.00 H new ATOM 0 HE ARG A 88 -8.945 -2.934 -6.206 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -11.941 -1.114 -5.732 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -12.969 -2.538 -5.922 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -10.278 -4.752 -6.446 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -12.033 -4.585 -6.324 1.00 0.00 H new ATOM 1476 N HIS A 89 -9.168 -1.642 -0.977 1.00 0.00 N ATOM 1477 CA HIS A 89 -10.438 -1.906 -0.309 1.00 0.00 C ATOM 1478 C HIS A 89 -10.969 -0.681 0.437 1.00 0.00 C ATOM 1479 O HIS A 89 -12.172 -0.424 0.435 1.00 0.00 O ATOM 1480 CB HIS A 89 -10.284 -3.074 0.668 1.00 0.00 C ATOM 1481 CG HIS A 89 -11.447 -4.017 0.665 1.00 0.00 C ATOM 1482 ND1 HIS A 89 -11.686 -4.921 1.679 1.00 0.00 N ATOM 1483 CD2 HIS A 89 -12.441 -4.196 -0.238 1.00 0.00 C ATOM 1484 CE1 HIS A 89 -12.776 -5.614 1.401 1.00 0.00 C ATOM 1485 NE2 HIS A 89 -13.253 -5.194 0.244 1.00 0.00 N ATOM 0 H HIS A 89 -8.344 -1.829 -0.405 1.00 0.00 H new ATOM 0 HA HIS A 89 -11.161 -2.160 -1.084 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -9.378 -3.627 0.420 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -10.150 -2.679 1.675 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -12.571 -3.655 -1.164 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -13.204 -6.392 2.016 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -14.089 -5.552 -0.217 1.00 0.00 H new ATOM 1494 N MET A 90 -10.080 0.055 1.099 1.00 0.00 N ATOM 1495 CA MET A 90 -10.492 1.226 1.869 1.00 0.00 C ATOM 1496 C MET A 90 -10.478 2.507 1.034 1.00 0.00 C ATOM 1497 O MET A 90 -11.278 3.411 1.274 1.00 0.00 O ATOM 1498 CB MET A 90 -9.610 1.378 3.119 1.00 0.00 C ATOM 1499 CG MET A 90 -8.442 2.348 2.968 1.00 0.00 C ATOM 1500 SD MET A 90 -7.182 1.760 1.822 1.00 0.00 S ATOM 1501 CE MET A 90 -6.944 0.087 2.411 1.00 0.00 C ATOM 0 H MET A 90 -9.078 -0.136 1.118 1.00 0.00 H new ATOM 0 HA MET A 90 -11.524 1.065 2.179 1.00 0.00 H new ATOM 0 HB2 MET A 90 -10.235 1.711 3.948 1.00 0.00 H new ATOM 0 HB3 MET A 90 -9.217 0.398 3.389 1.00 0.00 H new ATOM 0 HG2 MET A 90 -8.819 3.311 2.622 1.00 0.00 H new ATOM 0 HG3 MET A 90 -7.987 2.516 3.944 1.00 0.00 H new ATOM 0 HE1 MET A 90 -5.883 -0.162 2.382 1.00 0.00 H new ATOM 0 HE2 MET A 90 -7.307 0.007 3.436 1.00 0.00 H new ATOM 0 HE3 MET A 90 -7.496 -0.605 1.775 1.00 0.00 H new ATOM 1511 N ILE A 91 -9.572 2.594 0.065 1.00 0.00 N ATOM 1512 CA ILE A 91 -9.493 3.794 -0.770 1.00 0.00 C ATOM 1513 C ILE A 91 -10.808 4.024 -1.501 1.00 0.00 C ATOM 1514 O ILE A 91 -11.290 5.151 -1.600 1.00 0.00 O ATOM 1515 CB ILE A 91 -8.347 3.760 -1.813 1.00 0.00 C ATOM 1516 CG1 ILE A 91 -7.633 2.412 -1.834 1.00 0.00 C ATOM 1517 CG2 ILE A 91 -7.352 4.873 -1.533 1.00 0.00 C ATOM 1518 CD1 ILE A 91 -6.661 2.273 -2.983 1.00 0.00 C ATOM 0 H ILE A 91 -8.894 1.866 -0.161 1.00 0.00 H new ATOM 0 HA ILE A 91 -9.282 4.611 -0.080 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.794 3.910 -2.796 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -7.097 2.277 -0.894 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -8.375 1.616 -1.895 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.551 4.840 -2.272 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -7.858 5.837 -1.590 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -6.931 4.743 -0.536 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -6.186 1.293 -2.941 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -7.196 2.377 -3.927 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -5.899 3.049 -2.911 1.00 0.00 H new ATOM 1530 N SER A 92 -11.383 2.939 -2.007 1.00 0.00 N ATOM 1531 CA SER A 92 -12.650 3.004 -2.730 1.00 0.00 C ATOM 1532 C SER A 92 -13.750 3.645 -1.879 1.00 0.00 C ATOM 1533 O SER A 92 -14.809 4.003 -2.395 1.00 0.00 O ATOM 1534 CB SER A 92 -13.083 1.603 -3.165 1.00 0.00 C ATOM 1535 OG SER A 92 -13.841 1.652 -4.361 1.00 0.00 O ATOM 0 H SER A 92 -10.991 2.000 -1.930 1.00 0.00 H new ATOM 0 HA SER A 92 -12.496 3.627 -3.611 1.00 0.00 H new ATOM 0 HB2 SER A 92 -12.203 0.977 -3.314 1.00 0.00 H new ATOM 0 HB3 SER A 92 -13.674 1.140 -2.375 1.00 0.00 H new ATOM 0 HG SER A 92 -14.104 0.744 -4.619 1.00 0.00 H new ATOM 1541 N GLN A 93 -13.493 3.789 -0.574 1.00 0.00 N ATOM 1542 CA GLN A 93 -14.451 4.385 0.353 1.00 0.00 C ATOM 1543 C GLN A 93 -15.475 3.358 0.821 1.00 0.00 C ATOM 1544 O GLN A 93 -16.416 3.027 0.101 1.00 0.00 O ATOM 1545 CB GLN A 93 -15.162 5.585 -0.279 1.00 0.00 C ATOM 1546 CG GLN A 93 -14.251 6.471 -1.116 1.00 0.00 C ATOM 1547 CD GLN A 93 -14.094 7.863 -0.535 1.00 0.00 C ATOM 1548 OE1 GLN A 93 -15.065 8.476 -0.092 1.00 0.00 O ATOM 1549 NE2 GLN A 93 -12.866 8.369 -0.535 1.00 0.00 N ATOM 0 H GLN A 93 -12.619 3.496 -0.137 1.00 0.00 H new ATOM 0 HA GLN A 93 -13.889 4.734 1.219 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -15.977 5.223 -0.906 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -15.611 6.186 0.511 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -13.270 6.003 -1.197 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -14.653 6.547 -2.126 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -12.090 7.825 -0.913 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -12.699 9.302 -0.157 1.00 0.00 H new ATOM 1558 N GLU A 94 -15.280 2.860 2.038 1.00 0.00 N ATOM 1559 CA GLU A 94 -16.181 1.871 2.618 1.00 0.00 C ATOM 1560 C GLU A 94 -16.319 2.088 4.120 1.00 0.00 C ATOM 1561 O GLU A 94 -15.391 1.820 4.884 1.00 0.00 O ATOM 1562 CB GLU A 94 -15.673 0.455 2.341 1.00 0.00 C ATOM 1563 CG GLU A 94 -15.089 0.280 0.949 1.00 0.00 C ATOM 1564 CD GLU A 94 -15.161 -1.155 0.463 1.00 0.00 C ATOM 1565 OE1 GLU A 94 -16.115 -1.864 0.846 1.00 0.00 O ATOM 1566 OE2 GLU A 94 -14.263 -1.569 -0.300 1.00 0.00 O ATOM 0 H GLU A 94 -14.503 3.126 2.643 1.00 0.00 H new ATOM 0 HA GLU A 94 -17.160 1.991 2.154 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -14.913 0.200 3.080 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -16.495 -0.249 2.472 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -15.624 0.924 0.251 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -14.049 0.607 0.951 1.00 0.00 H new ATOM 1573 N GLY A 95 -17.479 2.579 4.537 1.00 0.00 N ATOM 1574 CA GLY A 95 -17.715 2.829 5.947 1.00 0.00 C ATOM 1575 C GLY A 95 -18.128 4.262 6.223 1.00 0.00 C ATOM 1576 O GLY A 95 -18.717 4.549 7.265 1.00 0.00 O ATOM 0 H GLY A 95 -18.261 2.809 3.924 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -18.492 2.155 6.307 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -16.810 2.601 6.509 1.00 0.00 H new ATOM 1580 N ILE A 96 -17.824 5.156 5.276 1.00 0.00 N ATOM 1581 CA ILE A 96 -18.157 6.575 5.380 1.00 0.00 C ATOM 1582 C ILE A 96 -18.346 7.020 6.835 1.00 0.00 C ATOM 1583 O ILE A 96 -19.348 7.641 7.190 1.00 0.00 O ATOM 1584 CB ILE A 96 -19.421 6.874 4.551 1.00 0.00 C ATOM 1585 CG1 ILE A 96 -19.138 6.642 3.065 1.00 0.00 C ATOM 1586 CG2 ILE A 96 -19.917 8.297 4.778 1.00 0.00 C ATOM 1587 CD1 ILE A 96 -20.384 6.382 2.246 1.00 0.00 C ATOM 0 H ILE A 96 -17.338 4.911 4.413 1.00 0.00 H new ATOM 0 HA ILE A 96 -17.318 7.146 4.982 1.00 0.00 H new ATOM 0 HB ILE A 96 -20.207 6.194 4.879 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -18.623 7.514 2.661 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -18.461 5.794 2.960 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -20.810 8.471 4.177 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -20.157 8.435 5.832 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -19.140 9.004 4.487 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -20.108 6.226 1.203 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -20.889 5.493 2.624 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -21.054 7.239 2.320 1.00 0.00 H new ATOM 1599 N LYS A 97 -17.370 6.687 7.674 1.00 0.00 N ATOM 1600 CA LYS A 97 -17.425 7.043 9.091 1.00 0.00 C ATOM 1601 C LYS A 97 -16.046 7.336 9.661 1.00 0.00 C ATOM 1602 O LYS A 97 -15.905 7.891 10.750 1.00 0.00 O ATOM 1603 CB LYS A 97 -18.096 5.926 9.885 1.00 0.00 C ATOM 1604 CG LYS A 97 -17.177 4.757 10.210 1.00 0.00 C ATOM 1605 CD LYS A 97 -17.943 3.444 10.261 1.00 0.00 C ATOM 1606 CE LYS A 97 -17.418 2.534 11.361 1.00 0.00 C ATOM 1607 NZ LYS A 97 -18.366 2.442 12.506 1.00 0.00 N ATOM 0 H LYS A 97 -16.533 6.173 7.400 1.00 0.00 H new ATOM 0 HA LYS A 97 -18.014 7.956 9.177 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -18.484 6.339 10.816 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -18.951 5.556 9.320 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -16.390 4.692 9.459 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -16.689 4.932 11.169 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -19.001 3.645 10.428 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -17.863 2.937 9.299 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -17.242 1.538 10.955 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -16.457 2.909 11.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -17.971 1.813 13.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -18.515 3.389 12.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -19.275 2.060 12.174 1.00 0.00 H new ATOM 1621 N GLU A 98 -15.048 6.952 8.910 1.00 0.00 N ATOM 1622 CA GLU A 98 -13.657 7.149 9.300 1.00 0.00 C ATOM 1623 C GLU A 98 -12.856 7.780 8.167 1.00 0.00 C ATOM 1624 O GLU A 98 -12.067 8.699 8.387 1.00 0.00 O ATOM 1625 CB GLU A 98 -13.026 5.816 9.706 1.00 0.00 C ATOM 1626 CG GLU A 98 -12.931 4.814 8.567 1.00 0.00 C ATOM 1627 CD GLU A 98 -12.817 3.384 9.057 1.00 0.00 C ATOM 1628 OE1 GLU A 98 -13.354 3.084 10.144 1.00 0.00 O ATOM 1629 OE2 GLU A 98 -12.192 2.563 8.353 1.00 0.00 O ATOM 0 H GLU A 98 -15.166 6.492 8.007 1.00 0.00 H new ATOM 0 HA GLU A 98 -13.639 7.827 10.153 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -12.027 6.002 10.099 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -13.611 5.379 10.515 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -13.812 4.907 7.931 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -12.065 5.053 7.949 1.00 0.00 H new ATOM 1636 N THR A 99 -13.064 7.280 6.955 1.00 0.00 N ATOM 1637 CA THR A 99 -12.359 7.794 5.786 1.00 0.00 C ATOM 1638 C THR A 99 -13.048 9.038 5.233 1.00 0.00 C ATOM 1639 O THR A 99 -12.409 9.890 4.615 1.00 0.00 O ATOM 1640 CB THR A 99 -12.272 6.719 4.700 1.00 0.00 C ATOM 1641 OG1 THR A 99 -11.623 7.224 3.547 1.00 0.00 O ATOM 1642 CG2 THR A 99 -13.622 6.188 4.271 1.00 0.00 C ATOM 0 H THR A 99 -13.714 6.520 6.755 1.00 0.00 H new ATOM 0 HA THR A 99 -11.351 8.069 6.097 1.00 0.00 H new ATOM 0 HB THR A 99 -11.706 5.902 5.148 1.00 0.00 H new ATOM 0 HG1 THR A 99 -11.575 6.522 2.865 1.00 0.00 H new ATOM 0 HG21 THR A 99 -13.486 5.430 3.500 1.00 0.00 H new ATOM 0 HG22 THR A 99 -14.128 5.746 5.129 1.00 0.00 H new ATOM 0 HG23 THR A 99 -14.225 7.005 3.875 1.00 0.00 H new ATOM 1650 N GLN A 100 -14.355 9.138 5.457 1.00 0.00 N ATOM 1651 CA GLN A 100 -15.127 10.280 4.978 1.00 0.00 C ATOM 1652 C GLN A 100 -14.827 11.527 5.805 1.00 0.00 C ATOM 1653 O GLN A 100 -14.895 11.500 7.034 1.00 0.00 O ATOM 1654 CB GLN A 100 -16.624 9.965 5.027 1.00 0.00 C ATOM 1655 CG GLN A 100 -17.304 10.030 3.668 1.00 0.00 C ATOM 1656 CD GLN A 100 -18.205 11.241 3.523 1.00 0.00 C ATOM 1657 OE1 GLN A 100 -19.003 11.545 4.410 1.00 0.00 O ATOM 1658 NE2 GLN A 100 -18.081 11.940 2.401 1.00 0.00 N ATOM 0 H GLN A 100 -14.901 8.443 5.966 1.00 0.00 H new ATOM 0 HA GLN A 100 -14.838 10.476 3.945 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -16.764 8.969 5.447 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -17.113 10.667 5.703 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -16.544 10.052 2.887 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -17.892 9.125 3.516 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -17.406 11.652 1.692 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -18.660 12.765 2.248 1.00 0.00 H new ATOM 1667 N ALA A 101 -14.497 12.619 5.122 1.00 0.00 N ATOM 1668 CA ALA A 101 -14.189 13.877 5.792 1.00 0.00 C ATOM 1669 C ALA A 101 -13.017 13.715 6.755 1.00 0.00 C ATOM 1670 O ALA A 101 -13.147 13.088 7.807 1.00 0.00 O ATOM 1671 CB ALA A 101 -15.413 14.395 6.531 1.00 0.00 C ATOM 0 H ALA A 101 -14.436 12.658 4.105 1.00 0.00 H new ATOM 0 HA ALA A 101 -13.902 14.603 5.032 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -15.168 15.335 7.026 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -16.224 14.559 5.821 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -15.725 13.663 7.276 1.00 0.00 H new ATOM 1677 N LYS A 102 -11.874 14.286 6.390 1.00 0.00 N ATOM 1678 CA LYS A 102 -10.680 14.205 7.224 1.00 0.00 C ATOM 1679 C LYS A 102 -9.536 15.014 6.621 1.00 0.00 C ATOM 1680 O LYS A 102 -8.785 15.676 7.338 1.00 0.00 O ATOM 1681 CB LYS A 102 -10.251 12.747 7.398 1.00 0.00 C ATOM 1682 CG LYS A 102 -9.207 12.547 8.484 1.00 0.00 C ATOM 1683 CD LYS A 102 -8.530 11.191 8.363 1.00 0.00 C ATOM 1684 CE LYS A 102 -7.197 11.296 7.640 1.00 0.00 C ATOM 1685 NZ LYS A 102 -6.902 10.077 6.837 1.00 0.00 N ATOM 0 H LYS A 102 -11.749 14.809 5.523 1.00 0.00 H new ATOM 0 HA LYS A 102 -10.922 14.625 8.200 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -11.128 12.144 7.633 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -9.855 12.378 6.452 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -8.458 13.336 8.420 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -9.678 12.634 9.463 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -8.374 10.771 9.357 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -9.183 10.504 7.826 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -7.207 12.168 6.986 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -6.401 11.453 8.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -5.985 10.189 6.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -6.867 9.248 7.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -7.648 9.941 6.125 1.00 0.00 H new ATOM 1699 N ARG A 103 -9.410 14.956 5.301 1.00 0.00 N ATOM 1700 CA ARG A 103 -8.356 15.682 4.601 1.00 0.00 C ATOM 1701 C ARG A 103 -8.865 16.238 3.274 1.00 0.00 C ATOM 1702 O ARG A 103 -8.219 16.090 2.236 1.00 0.00 O ATOM 1703 CB ARG A 103 -7.152 14.766 4.363 1.00 0.00 C ATOM 1704 CG ARG A 103 -5.820 15.409 4.717 1.00 0.00 C ATOM 1705 CD ARG A 103 -5.111 14.654 5.830 1.00 0.00 C ATOM 1706 NE ARG A 103 -4.816 13.274 5.454 1.00 0.00 N ATOM 1707 CZ ARG A 103 -3.795 12.918 4.678 1.00 0.00 C ATOM 1708 NH1 ARG A 103 -2.968 13.838 4.196 1.00 0.00 N ATOM 1709 NH2 ARG A 103 -3.599 11.640 4.385 1.00 0.00 N ATOM 0 H ARG A 103 -10.024 14.414 4.693 1.00 0.00 H new ATOM 0 HA ARG A 103 -8.047 16.520 5.226 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -7.275 13.857 4.952 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -7.135 14.467 3.315 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -5.183 15.437 3.833 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -5.984 16.442 5.025 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -4.183 15.167 6.082 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -5.732 14.661 6.726 1.00 0.00 H new ATOM 0 HE ARG A 103 -5.429 12.539 5.807 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -3.114 14.822 4.420 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -2.187 13.560 3.602 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -4.231 10.929 4.754 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -2.816 11.367 3.790 1.00 0.00 H new ATOM 1723 N ILE A 104 -10.028 16.881 3.315 1.00 0.00 N ATOM 1724 CA ILE A 104 -10.623 17.460 2.116 1.00 0.00 C ATOM 1725 C ILE A 104 -11.272 18.806 2.420 1.00 0.00 C ATOM 1726 O ILE A 104 -11.996 18.949 3.405 1.00 0.00 O ATOM 1727 CB ILE A 104 -11.678 16.521 1.502 1.00 0.00 C ATOM 1728 CG1 ILE A 104 -12.646 16.031 2.580 1.00 0.00 C ATOM 1729 CG2 ILE A 104 -11.004 15.345 0.812 1.00 0.00 C ATOM 1730 CD1 ILE A 104 -13.952 15.504 2.026 1.00 0.00 C ATOM 0 H ILE A 104 -10.576 17.014 4.165 1.00 0.00 H new ATOM 0 HA ILE A 104 -9.814 17.603 1.399 1.00 0.00 H new ATOM 0 HB ILE A 104 -12.247 17.076 0.756 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -12.163 15.245 3.160 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -12.857 16.850 3.267 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -11.763 14.691 0.383 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -10.352 15.713 0.019 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -10.413 14.787 1.538 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -14.589 15.174 2.847 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -14.457 16.294 1.470 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -13.752 14.663 1.361 1.00 0.00 H new TER 1742 ILE A 104