USER MOD reduce.3.24.130724 H: found=0, std=0, add=850, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 848 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 130 HIS : no HD1:sc= 0.892 K(o=0.97,f=-3.2!) USER MOD Set 1.2: A 134 HIS : no HD1:sc= 0.0822 K(o=0.97,f=-0.18) USER MOD Set 2.1: A 121 GLN : amide:sc= 0.819 K(o=1.5,f=-0.12) USER MOD Set 2.2: A 125 ASN : amide:sc= 0.712 K(o=1.5,f=-1.6!) USER MOD Set 3.1: A 8 THR OG1 : rot 180:sc= 0.438 USER MOD Set 3.2: A 100 THR OG1 : rot -62:sc= 0.473 USER MOD Set 4.1: A 21 THR OG1 : rot 169:sc= -0.141 USER MOD Set 4.2: A 70 TYR OH : rot 110:sc= -0.267 USER MOD Set 5.1: A 20 TYR OH : rot -150:sc= 0.632 USER MOD Set 5.2: A 81 TYR OH : rot 134:sc= 0.571 USER MOD Set 6.1: A 4 THR OG1 : rot -81:sc= 0.812 USER MOD Set 6.2: A 104 SER OG : rot 180:sc= 0.715 USER MOD Single : A 1 MET CE :methyl -120:sc= -0.307 (180deg=-0.403) USER MOD Single : A 1 MET N :NH3+ -168:sc= -0.0061 (180deg=-0.175) USER MOD Single : A 2 ASN : amide:sc=-0.00203 X(o=-0.002,f=-0.0027) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 48:sc= 1.24 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 35:sc= 0.355 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 156:sc= 0.642 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.0186 X(o=-0.019,f=0.044) USER MOD Single : A 77 LYS NZ :NH3+ -176:sc= 0.845 (180deg=0.836) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= -0.0377 X(o=-0.038,f=-0.18) USER MOD Single : A 116 GLN : amide:sc= -0.646 X(o=-0.65,f=-0.16) USER MOD Single : A 117 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 118 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 126 ASN : amide:sc= 1.09 K(o=1.1,f=-7.4!) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 SER OG : rot 67:sc= 0.399 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.761 13.130 13.404 1.00 0.00 N ATOM 2 CA MET A 1 -1.120 13.642 12.200 1.00 0.00 C ATOM 3 C MET A 1 -1.458 12.773 10.992 1.00 0.00 C ATOM 4 O MET A 1 -1.235 11.563 11.005 1.00 0.00 O ATOM 5 CB MET A 1 0.393 13.715 12.395 1.00 0.00 C ATOM 6 CG MET A 1 0.842 14.680 13.483 1.00 0.00 C ATOM 7 SD MET A 1 0.401 16.391 13.120 1.00 0.00 S ATOM 8 CE MET A 1 1.491 16.736 11.743 1.00 0.00 C ATOM 0 H1 MET A 1 -1.689 13.837 14.163 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.763 12.934 13.207 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.289 12.253 13.702 1.00 0.00 H new ATOM 0 HA MET A 1 -1.499 14.647 12.013 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.764 12.719 12.634 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.855 14.009 11.452 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.392 14.387 14.432 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.923 14.606 13.606 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.151 17.565 12.000 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.089 15.852 11.522 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.898 17.002 10.868 1.00 0.00 H new ATOM 20 N ASN A 2 -1.998 13.398 9.951 1.00 0.00 N ATOM 21 CA ASN A 2 -2.270 12.702 8.699 1.00 0.00 C ATOM 22 C ASN A 2 -1.178 12.983 7.672 1.00 0.00 C ATOM 23 O ASN A 2 -0.835 14.138 7.417 1.00 0.00 O ATOM 24 CB ASN A 2 -3.630 13.076 8.138 1.00 0.00 C ATOM 25 CG ASN A 2 -4.781 12.653 9.008 1.00 0.00 C ATOM 26 OD1 ASN A 2 -5.019 11.458 9.220 1.00 0.00 O ATOM 27 ND2 ASN A 2 -5.543 13.622 9.446 1.00 0.00 N ATOM 0 H ASN A 2 -2.256 14.385 9.950 1.00 0.00 H new ATOM 0 HA ASN A 2 -2.278 11.634 8.916 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -3.670 14.156 7.997 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -3.744 12.622 7.154 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -6.378 13.407 9.990 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -5.302 14.592 9.243 1.00 0.00 H new ATOM 34 N ILE A 3 -0.635 11.921 7.087 1.00 0.00 N ATOM 35 CA ILE A 3 0.399 12.054 6.068 1.00 0.00 C ATOM 36 C ILE A 3 -0.113 11.611 4.703 1.00 0.00 C ATOM 37 O ILE A 3 -0.705 10.539 4.566 1.00 0.00 O ATOM 38 CB ILE A 3 1.653 11.236 6.428 1.00 0.00 C ATOM 39 CG1 ILE A 3 2.249 11.724 7.751 1.00 0.00 C ATOM 40 CG2 ILE A 3 2.683 11.324 5.311 1.00 0.00 C ATOM 41 CD1 ILE A 3 3.367 10.853 8.275 1.00 0.00 C ATOM 0 H ILE A 3 -0.894 10.958 7.301 1.00 0.00 H new ATOM 0 HA ILE A 3 0.666 13.110 6.025 1.00 0.00 H new ATOM 0 HB ILE A 3 1.363 10.192 6.547 1.00 0.00 H new ATOM 0 HG12 ILE A 3 2.624 12.739 7.617 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.458 11.772 8.499 1.00 0.00 H new ATOM 0 HG21 ILE A 3 3.563 10.741 5.581 1.00 0.00 H new ATOM 0 HG22 ILE A 3 2.255 10.930 4.389 1.00 0.00 H new ATOM 0 HG23 ILE A 3 2.970 12.365 5.162 1.00 0.00 H new ATOM 0 HD11 ILE A 3 3.738 11.263 9.214 1.00 0.00 H new ATOM 0 HD12 ILE A 3 2.993 9.843 8.442 1.00 0.00 H new ATOM 0 HD13 ILE A 3 4.178 10.824 7.547 1.00 0.00 H new ATOM 53 N THR A 4 0.121 12.442 3.690 1.00 0.00 N ATOM 54 CA THR A 4 -0.345 12.152 2.341 1.00 0.00 C ATOM 55 C THR A 4 0.822 12.054 1.366 1.00 0.00 C ATOM 56 O THR A 4 1.732 12.884 1.386 1.00 0.00 O ATOM 57 CB THR A 4 -1.332 13.224 1.841 1.00 0.00 C ATOM 58 OG1 THR A 4 -2.464 13.281 2.717 1.00 0.00 O ATOM 59 CG2 THR A 4 -1.802 12.900 0.431 1.00 0.00 C ATOM 0 H THR A 4 0.631 13.321 3.780 1.00 0.00 H new ATOM 0 HA THR A 4 -0.859 11.192 2.385 1.00 0.00 H new ATOM 0 HB THR A 4 -0.823 14.188 1.831 1.00 0.00 H new ATOM 0 HG1 THR A 4 -3.087 12.559 2.493 1.00 0.00 H new ATOM 0 HG21 THR A 4 -2.498 13.668 0.094 1.00 0.00 H new ATOM 0 HG22 THR A 4 -0.944 12.869 -0.240 1.00 0.00 H new ATOM 0 HG23 THR A 4 -2.301 11.931 0.427 1.00 0.00 H new ATOM 67 N VAL A 5 0.790 11.036 0.511 1.00 0.00 N ATOM 68 CA VAL A 5 1.793 10.885 -0.535 1.00 0.00 C ATOM 69 C VAL A 5 1.140 10.666 -1.896 1.00 0.00 C ATOM 70 O VAL A 5 -0.005 10.223 -1.981 1.00 0.00 O ATOM 71 CB VAL A 5 2.746 9.713 -0.239 1.00 0.00 C ATOM 72 CG1 VAL A 5 3.506 9.957 1.056 1.00 0.00 C ATOM 73 CG2 VAL A 5 1.974 8.403 -0.161 1.00 0.00 C ATOM 0 H VAL A 5 0.080 10.304 0.523 1.00 0.00 H new ATOM 0 HA VAL A 5 2.368 11.811 -0.556 1.00 0.00 H new ATOM 0 HB VAL A 5 3.466 9.642 -1.055 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.175 9.118 1.249 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.089 10.874 0.968 1.00 0.00 H new ATOM 0 HG13 VAL A 5 2.799 10.054 1.880 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.664 7.586 0.049 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.232 8.465 0.635 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.472 8.219 -1.111 1.00 0.00 H new ATOM 83 N GLU A 6 1.876 10.980 -2.957 1.00 0.00 N ATOM 84 CA GLU A 6 1.362 10.833 -4.314 1.00 0.00 C ATOM 85 C GLU A 6 2.430 10.262 -5.242 1.00 0.00 C ATOM 86 O GLU A 6 3.614 10.577 -5.113 1.00 0.00 O ATOM 87 CB GLU A 6 0.863 12.177 -4.848 1.00 0.00 C ATOM 88 CG GLU A 6 -0.325 12.753 -4.088 1.00 0.00 C ATOM 89 CD GLU A 6 -0.765 14.065 -4.675 1.00 0.00 C ATOM 90 OE1 GLU A 6 0.031 14.972 -4.718 1.00 0.00 O ATOM 91 OE2 GLU A 6 -1.859 14.128 -5.184 1.00 0.00 O ATOM 0 H GLU A 6 2.830 11.338 -2.904 1.00 0.00 H new ATOM 0 HA GLU A 6 0.525 10.136 -4.283 1.00 0.00 H new ATOM 0 HB2 GLU A 6 1.683 12.895 -4.815 1.00 0.00 H new ATOM 0 HB3 GLU A 6 0.586 12.058 -5.895 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -1.153 12.045 -4.113 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -0.056 12.892 -3.041 1.00 0.00 H new ATOM 98 N THR A 7 2.004 9.420 -6.177 1.00 0.00 N ATOM 99 CA THR A 7 2.886 8.944 -7.236 1.00 0.00 C ATOM 100 C THR A 7 2.120 8.735 -8.537 1.00 0.00 C ATOM 101 O THR A 7 1.007 8.208 -8.537 1.00 0.00 O ATOM 102 CB THR A 7 3.581 7.628 -6.844 1.00 0.00 C ATOM 103 OG1 THR A 7 4.576 7.299 -7.821 1.00 0.00 O ATOM 104 CG2 THR A 7 2.569 6.496 -6.755 1.00 0.00 C ATOM 0 H THR A 7 1.053 9.053 -6.223 1.00 0.00 H new ATOM 0 HA THR A 7 3.644 9.713 -7.383 1.00 0.00 H new ATOM 0 HB THR A 7 4.050 7.760 -5.869 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.018 6.462 -7.568 1.00 0.00 H new ATOM 0 HG21 THR A 7 3.079 5.573 -6.477 1.00 0.00 H new ATOM 0 HG22 THR A 7 1.818 6.737 -6.002 1.00 0.00 H new ATOM 0 HG23 THR A 7 2.084 6.365 -7.722 1.00 0.00 H new ATOM 112 N THR A 8 2.724 9.150 -9.647 1.00 0.00 N ATOM 113 CA THR A 8 2.128 8.947 -10.962 1.00 0.00 C ATOM 114 C THR A 8 2.920 7.927 -11.773 1.00 0.00 C ATOM 115 O THR A 8 4.127 8.075 -11.965 1.00 0.00 O ATOM 116 CB THR A 8 2.045 10.265 -11.753 1.00 0.00 C ATOM 117 OG1 THR A 8 1.214 11.197 -11.049 1.00 0.00 O ATOM 118 CG2 THR A 8 1.464 10.020 -13.138 1.00 0.00 C ATOM 0 H THR A 8 3.625 9.628 -9.661 1.00 0.00 H new ATOM 0 HA THR A 8 1.119 8.570 -10.796 1.00 0.00 H new ATOM 0 HB THR A 8 3.051 10.672 -11.858 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.164 12.036 -11.553 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.413 10.963 -13.683 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.100 9.321 -13.681 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.462 9.601 -13.043 1.00 0.00 H new ATOM 126 N VAL A 9 2.233 6.892 -12.246 1.00 0.00 N ATOM 127 CA VAL A 9 2.891 5.794 -12.944 1.00 0.00 C ATOM 128 C VAL A 9 2.145 5.432 -14.223 1.00 0.00 C ATOM 129 O VAL A 9 0.942 5.662 -14.339 1.00 0.00 O ATOM 130 CB VAL A 9 3.001 4.543 -12.053 1.00 0.00 C ATOM 131 CG1 VAL A 9 3.844 4.838 -10.821 1.00 0.00 C ATOM 132 CG2 VAL A 9 1.619 4.054 -11.647 1.00 0.00 C ATOM 0 H VAL A 9 1.222 6.791 -12.159 1.00 0.00 H new ATOM 0 HA VAL A 9 3.895 6.137 -13.196 1.00 0.00 H new ATOM 0 HB VAL A 9 3.491 3.755 -12.626 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.911 3.943 -10.203 1.00 0.00 H new ATOM 0 HG12 VAL A 9 4.844 5.142 -11.129 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.381 5.641 -10.247 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.716 3.169 -11.018 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.104 4.839 -11.093 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.045 3.803 -12.539 1.00 0.00 H new ATOM 142 N ALA A 10 2.868 4.862 -15.183 1.00 0.00 N ATOM 143 CA ALA A 10 2.282 4.494 -16.465 1.00 0.00 C ATOM 144 C ALA A 10 1.657 3.104 -16.404 1.00 0.00 C ATOM 145 O ALA A 10 2.234 2.131 -16.888 1.00 0.00 O ATOM 146 CB ALA A 10 3.333 4.553 -17.563 1.00 0.00 C ATOM 0 H ALA A 10 3.861 4.646 -15.096 1.00 0.00 H new ATOM 0 HA ALA A 10 1.493 5.210 -16.694 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.881 4.276 -18.515 1.00 0.00 H new ATOM 0 HB2 ALA A 10 3.731 5.565 -17.632 1.00 0.00 H new ATOM 0 HB3 ALA A 10 4.142 3.860 -17.330 1.00 0.00 H new ATOM 152 N ALA A 11 0.473 3.018 -15.805 1.00 0.00 N ATOM 153 CA ALA A 11 -0.235 1.749 -15.691 1.00 0.00 C ATOM 154 C ALA A 11 -1.742 1.967 -15.599 1.00 0.00 C ATOM 155 O ALA A 11 -2.216 3.005 -15.139 1.00 0.00 O ATOM 156 CB ALA A 11 0.263 0.973 -14.479 1.00 0.00 C ATOM 0 H ALA A 11 -0.015 3.812 -15.391 1.00 0.00 H new ATOM 0 HA ALA A 11 -0.033 1.167 -16.590 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.275 0.028 -14.406 1.00 0.00 H new ATOM 0 HB2 ALA A 11 1.330 0.777 -14.586 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.091 1.559 -13.576 1.00 0.00 H new ATOM 162 N PRO A 12 -2.513 0.966 -16.050 1.00 0.00 N ATOM 163 CA PRO A 12 -3.978 1.013 -15.998 1.00 0.00 C ATOM 164 C PRO A 12 -4.509 0.944 -14.572 1.00 0.00 C ATOM 165 O PRO A 12 -3.931 0.279 -13.714 1.00 0.00 O ATOM 166 CB PRO A 12 -4.415 -0.199 -16.828 1.00 0.00 C ATOM 167 CG PRO A 12 -3.268 -1.146 -16.736 1.00 0.00 C ATOM 168 CD PRO A 12 -2.038 -0.279 -16.699 1.00 0.00 C ATOM 0 HA PRO A 12 -4.373 1.952 -16.386 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -5.329 -0.642 -16.433 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -4.618 0.080 -17.862 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.340 -1.765 -15.842 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -3.247 -1.822 -17.591 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.234 -0.747 -16.131 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.651 -0.088 -17.700 1.00 0.00 H new ATOM 176 N VAL A 13 -5.618 1.636 -14.324 1.00 0.00 N ATOM 177 CA VAL A 13 -6.103 1.843 -12.964 1.00 0.00 C ATOM 178 C VAL A 13 -6.389 0.513 -12.274 1.00 0.00 C ATOM 179 O VAL A 13 -6.058 0.324 -11.105 1.00 0.00 O ATOM 180 CB VAL A 13 -7.379 2.705 -12.944 1.00 0.00 C ATOM 181 CG1 VAL A 13 -7.971 2.748 -11.543 1.00 0.00 C ATOM 182 CG2 VAL A 13 -7.078 4.113 -13.436 1.00 0.00 C ATOM 0 H VAL A 13 -6.197 2.062 -15.047 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.314 2.367 -12.425 1.00 0.00 H new ATOM 0 HB VAL A 13 -8.110 2.253 -13.614 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.872 3.361 -11.547 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -8.222 1.737 -11.223 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.244 3.177 -10.854 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.991 4.709 -13.415 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.330 4.572 -12.789 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.697 4.068 -14.456 1.00 0.00 H new ATOM 192 N GLY A 14 -7.006 -0.409 -13.009 1.00 0.00 N ATOM 193 CA GLY A 14 -7.379 -1.688 -12.434 1.00 0.00 C ATOM 194 C GLY A 14 -6.177 -2.499 -11.994 1.00 0.00 C ATOM 195 O GLY A 14 -6.175 -3.084 -10.910 1.00 0.00 O ATOM 0 H GLY A 14 -7.254 -0.292 -13.992 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -8.034 -1.521 -11.579 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.950 -2.259 -13.166 1.00 0.00 H new ATOM 199 N LYS A 15 -5.152 -2.538 -12.838 1.00 0.00 N ATOM 200 CA LYS A 15 -3.914 -3.233 -12.507 1.00 0.00 C ATOM 201 C LYS A 15 -3.214 -2.565 -11.327 1.00 0.00 C ATOM 202 O LYS A 15 -2.664 -3.240 -10.456 1.00 0.00 O ATOM 203 CB LYS A 15 -2.982 -3.277 -13.718 1.00 0.00 C ATOM 204 CG LYS A 15 -1.717 -4.100 -13.509 1.00 0.00 C ATOM 205 CD LYS A 15 -0.936 -4.253 -14.806 1.00 0.00 C ATOM 206 CE LYS A 15 0.330 -5.070 -14.597 1.00 0.00 C ATOM 207 NZ LYS A 15 1.088 -5.258 -15.865 1.00 0.00 N ATOM 0 H LYS A 15 -5.154 -2.096 -13.757 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.167 -4.255 -12.223 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.530 -3.684 -14.568 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -2.699 -2.258 -13.980 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.089 -3.621 -12.758 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.981 -5.084 -13.123 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.563 -4.736 -15.556 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.676 -3.268 -15.194 1.00 0.00 H new ATOM 0 HE2 LYS A 15 0.966 -4.572 -13.865 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.069 -6.044 -14.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 1.943 -5.820 -15.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 0.491 -5.756 -16.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 1.360 -4.330 -16.248 1.00 0.00 H new ATOM 221 N VAL A 16 -3.240 -1.237 -11.302 1.00 0.00 N ATOM 222 CA VAL A 16 -2.636 -0.479 -10.214 1.00 0.00 C ATOM 223 C VAL A 16 -3.341 -0.758 -8.892 1.00 0.00 C ATOM 224 O VAL A 16 -2.696 -0.940 -7.859 1.00 0.00 O ATOM 225 CB VAL A 16 -2.668 1.035 -10.493 1.00 0.00 C ATOM 226 CG1 VAL A 16 -2.267 1.814 -9.249 1.00 0.00 C ATOM 227 CG2 VAL A 16 -1.751 1.382 -11.656 1.00 0.00 C ATOM 0 H VAL A 16 -3.674 -0.663 -12.025 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.598 -0.803 -10.144 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.687 1.314 -10.762 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.295 2.882 -9.464 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.961 1.588 -8.439 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.258 1.530 -8.952 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.786 2.456 -11.839 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -0.730 1.088 -11.414 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.079 0.851 -12.549 1.00 0.00 H new ATOM 237 N TRP A 17 -4.669 -0.792 -8.931 1.00 0.00 N ATOM 238 CA TRP A 17 -5.460 -1.115 -7.750 1.00 0.00 C ATOM 239 C TRP A 17 -5.122 -2.510 -7.234 1.00 0.00 C ATOM 240 O TRP A 17 -4.951 -2.711 -6.031 1.00 0.00 O ATOM 241 CB TRP A 17 -6.953 -1.025 -8.070 1.00 0.00 C ATOM 242 CG TRP A 17 -7.833 -1.361 -6.904 1.00 0.00 C ATOM 243 CD1 TRP A 17 -8.303 -0.497 -5.956 1.00 0.00 C ATOM 244 CD2 TRP A 17 -8.345 -2.654 -6.561 1.00 0.00 C ATOM 245 NE1 TRP A 17 -9.076 -1.176 -5.046 1.00 0.00 N ATOM 246 CE2 TRP A 17 -9.119 -2.499 -5.395 1.00 0.00 C ATOM 247 CE3 TRP A 17 -8.227 -3.925 -7.129 1.00 0.00 C ATOM 248 CZ2 TRP A 17 -9.769 -3.569 -4.786 1.00 0.00 C ATOM 249 CZ3 TRP A 17 -8.872 -4.986 -6.523 1.00 0.00 C ATOM 250 CH2 TRP A 17 -9.637 -4.804 -5.362 1.00 0.00 C ATOM 0 H TRP A 17 -5.220 -0.600 -9.768 1.00 0.00 H new ATOM 0 HA TRP A 17 -5.218 -0.391 -6.972 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -7.184 -0.016 -8.411 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -7.182 -1.700 -8.895 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -8.097 0.563 -5.926 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -9.543 -0.761 -4.240 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -7.643 -4.075 -8.025 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -10.357 -3.430 -3.891 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -8.785 -5.974 -6.951 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -10.131 -5.653 -4.914 1.00 0.00 H new ATOM 261 N ARG A 18 -5.026 -3.468 -8.148 1.00 0.00 N ATOM 262 CA ARG A 18 -4.727 -4.847 -7.783 1.00 0.00 C ATOM 263 C ARG A 18 -3.320 -4.963 -7.202 1.00 0.00 C ATOM 264 O ARG A 18 -3.104 -5.652 -6.208 1.00 0.00 O ATOM 265 CB ARG A 18 -4.935 -5.808 -8.945 1.00 0.00 C ATOM 266 CG ARG A 18 -6.389 -6.067 -9.308 1.00 0.00 C ATOM 267 CD ARG A 18 -6.579 -7.018 -10.432 1.00 0.00 C ATOM 268 NE ARG A 18 -7.968 -7.289 -10.765 1.00 0.00 N ATOM 269 CZ ARG A 18 -8.372 -8.104 -11.759 1.00 0.00 C ATOM 270 NH1 ARG A 18 -7.501 -8.699 -12.543 1.00 0.00 N ATOM 271 NH2 ARG A 18 -9.670 -8.269 -11.941 1.00 0.00 N ATOM 0 H ARG A 18 -5.151 -3.315 -9.149 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.436 -5.139 -7.009 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.422 -5.412 -9.821 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.462 -6.759 -8.701 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -6.907 -6.453 -8.430 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.861 -5.119 -9.566 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.078 -6.622 -11.315 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.088 -7.959 -10.182 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.688 -6.830 -10.207 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.502 -8.547 -12.404 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -7.824 -9.313 -13.291 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.335 -7.786 -11.337 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -10.007 -8.880 -12.685 1.00 0.00 H new ATOM 285 N ALA A 19 -2.368 -4.283 -7.833 1.00 0.00 N ATOM 286 CA ALA A 19 -0.965 -4.407 -7.458 1.00 0.00 C ATOM 287 C ALA A 19 -0.711 -3.813 -6.077 1.00 0.00 C ATOM 288 O ALA A 19 0.154 -4.283 -5.337 1.00 0.00 O ATOM 289 CB ALA A 19 -0.079 -3.733 -8.496 1.00 0.00 C ATOM 0 H ALA A 19 -2.543 -3.641 -8.606 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.718 -5.468 -7.419 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.966 -3.834 -8.203 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.231 -4.206 -9.466 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.337 -2.676 -8.563 1.00 0.00 H new ATOM 295 N TYR A 20 -1.470 -2.779 -5.735 1.00 0.00 N ATOM 296 CA TYR A 20 -1.273 -2.068 -4.477 1.00 0.00 C ATOM 297 C TYR A 20 -1.395 -3.018 -3.289 1.00 0.00 C ATOM 298 O TYR A 20 -0.743 -2.835 -2.261 1.00 0.00 O ATOM 299 CB TYR A 20 -2.279 -0.924 -4.343 1.00 0.00 C ATOM 300 CG TYR A 20 -2.102 -0.094 -3.091 1.00 0.00 C ATOM 301 CD1 TYR A 20 -1.022 0.766 -2.953 1.00 0.00 C ATOM 302 CD2 TYR A 20 -3.016 -0.171 -2.051 1.00 0.00 C ATOM 303 CE1 TYR A 20 -0.855 1.526 -1.811 1.00 0.00 C ATOM 304 CE2 TYR A 20 -2.859 0.584 -0.905 1.00 0.00 C ATOM 305 CZ TYR A 20 -1.776 1.432 -0.789 1.00 0.00 C ATOM 306 OH TYR A 20 -1.616 2.187 0.350 1.00 0.00 O ATOM 0 H TYR A 20 -2.228 -2.414 -6.311 1.00 0.00 H new ATOM 0 HA TYR A 20 -0.266 -1.650 -4.481 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -2.192 -0.274 -5.213 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.288 -1.337 -4.353 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -0.299 0.843 -3.752 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -3.865 -0.833 -2.139 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.008 2.190 -1.719 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -3.580 0.511 -0.104 1.00 0.00 H new ATOM 0 HH TYR A 20 -2.002 1.711 1.115 1.00 0.00 H new ATOM 316 N THR A 21 -2.236 -4.037 -3.439 1.00 0.00 N ATOM 317 CA THR A 21 -2.410 -5.044 -2.400 1.00 0.00 C ATOM 318 C THR A 21 -2.435 -6.448 -2.994 1.00 0.00 C ATOM 319 O THR A 21 -3.336 -7.238 -2.708 1.00 0.00 O ATOM 320 CB THR A 21 -3.706 -4.813 -1.601 1.00 0.00 C ATOM 321 OG1 THR A 21 -4.826 -4.788 -2.496 1.00 0.00 O ATOM 322 CG2 THR A 21 -3.638 -3.495 -0.844 1.00 0.00 C ATOM 0 H THR A 21 -2.807 -4.186 -4.271 1.00 0.00 H new ATOM 0 HA THR A 21 -1.558 -4.952 -1.727 1.00 0.00 H new ATOM 0 HB THR A 21 -3.823 -5.627 -0.885 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.658 -4.825 -1.980 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.562 -3.348 -0.285 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.795 -3.515 -0.153 1.00 0.00 H new ATOM 0 HG23 THR A 21 -3.508 -2.676 -1.551 1.00 0.00 H new ATOM 330 N THR A 22 -1.440 -6.754 -3.821 1.00 0.00 N ATOM 331 CA THR A 22 -1.127 -8.135 -4.161 1.00 0.00 C ATOM 332 C THR A 22 0.100 -8.624 -3.399 1.00 0.00 C ATOM 333 O THR A 22 1.165 -8.006 -3.425 1.00 0.00 O ATOM 334 CB THR A 22 -0.881 -8.304 -5.672 1.00 0.00 C ATOM 335 OG1 THR A 22 -2.081 -7.987 -6.391 1.00 0.00 O ATOM 336 CG2 THR A 22 -0.466 -9.732 -5.989 1.00 0.00 C ATOM 0 H THR A 22 -0.837 -6.063 -4.267 1.00 0.00 H new ATOM 0 HA THR A 22 -1.992 -8.733 -3.875 1.00 0.00 H new ATOM 0 HB THR A 22 -0.079 -7.630 -5.973 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.450 -7.143 -6.056 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.297 -9.832 -7.061 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.452 -9.972 -5.453 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.256 -10.417 -5.681 1.00 0.00 H new ATOM 344 N PRO A 23 -0.047 -9.761 -2.704 1.00 0.00 N ATOM 345 CA PRO A 23 1.002 -10.301 -1.834 1.00 0.00 C ATOM 346 C PRO A 23 2.260 -10.677 -2.611 1.00 0.00 C ATOM 347 O PRO A 23 3.377 -10.511 -2.118 1.00 0.00 O ATOM 348 CB PRO A 23 0.356 -11.548 -1.228 1.00 0.00 C ATOM 349 CG PRO A 23 -0.805 -11.843 -2.114 1.00 0.00 C ATOM 350 CD PRO A 23 -1.300 -10.509 -2.605 1.00 0.00 C ATOM 0 HA PRO A 23 1.331 -9.573 -1.092 1.00 0.00 H new ATOM 0 HB2 PRO A 23 1.056 -12.383 -1.202 1.00 0.00 H new ATOM 0 HB3 PRO A 23 0.035 -11.369 -0.202 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -0.508 -12.480 -2.947 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -1.587 -12.373 -1.570 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -1.810 -10.587 -3.565 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -2.001 -10.048 -1.909 1.00 0.00 H new ATOM 358 N GLU A 24 2.071 -11.185 -3.824 1.00 0.00 N ATOM 359 CA GLU A 24 3.192 -11.502 -4.701 1.00 0.00 C ATOM 360 C GLU A 24 3.958 -10.240 -5.083 1.00 0.00 C ATOM 361 O GLU A 24 5.175 -10.272 -5.273 1.00 0.00 O ATOM 362 CB GLU A 24 2.703 -12.225 -5.958 1.00 0.00 C ATOM 363 CG GLU A 24 2.202 -13.641 -5.715 1.00 0.00 C ATOM 364 CD GLU A 24 1.660 -14.252 -6.977 1.00 0.00 C ATOM 365 OE1 GLU A 24 1.621 -13.574 -7.975 1.00 0.00 O ATOM 366 OE2 GLU A 24 1.388 -15.431 -6.974 1.00 0.00 O ATOM 0 H GLU A 24 1.153 -11.386 -4.222 1.00 0.00 H new ATOM 0 HA GLU A 24 3.868 -12.163 -4.158 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.900 -11.641 -6.409 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.517 -12.260 -6.682 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.016 -14.256 -5.331 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.424 -13.628 -4.951 1.00 0.00 H new ATOM 373 N ASP A 25 3.239 -9.129 -5.193 1.00 0.00 N ATOM 374 CA ASP A 25 3.862 -7.836 -5.448 1.00 0.00 C ATOM 375 C ASP A 25 4.497 -7.278 -4.180 1.00 0.00 C ATOM 376 O ASP A 25 5.589 -6.708 -4.218 1.00 0.00 O ATOM 377 CB ASP A 25 2.837 -6.845 -6.007 1.00 0.00 C ATOM 378 CG ASP A 25 2.375 -7.152 -7.425 1.00 0.00 C ATOM 379 OD1 ASP A 25 2.999 -7.960 -8.071 1.00 0.00 O ATOM 380 OD2 ASP A 25 1.319 -6.697 -7.795 1.00 0.00 O ATOM 0 H ASP A 25 2.223 -9.098 -5.109 1.00 0.00 H new ATOM 0 HA ASP A 25 4.647 -7.982 -6.190 1.00 0.00 H new ATOM 0 HB2 ASP A 25 1.968 -6.830 -5.350 1.00 0.00 H new ATOM 0 HB3 ASP A 25 3.269 -5.844 -5.987 1.00 0.00 H new ATOM 385 N ILE A 26 3.806 -7.442 -3.057 1.00 0.00 N ATOM 386 CA ILE A 26 4.242 -6.851 -1.797 1.00 0.00 C ATOM 387 C ILE A 26 5.592 -7.411 -1.365 1.00 0.00 C ATOM 388 O ILE A 26 6.455 -6.679 -0.882 1.00 0.00 O ATOM 389 CB ILE A 26 3.214 -7.087 -0.677 1.00 0.00 C ATOM 390 CG1 ILE A 26 1.944 -6.272 -0.936 1.00 0.00 C ATOM 391 CG2 ILE A 26 3.811 -6.731 0.676 1.00 0.00 C ATOM 392 CD1 ILE A 26 0.778 -6.661 -0.056 1.00 0.00 C ATOM 0 H ILE A 26 2.941 -7.979 -2.994 1.00 0.00 H new ATOM 0 HA ILE A 26 4.336 -5.779 -1.968 1.00 0.00 H new ATOM 0 HB ILE A 26 2.948 -8.144 -0.668 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.165 -5.215 -0.784 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.654 -6.391 -1.980 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.071 -6.904 1.457 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.687 -7.353 0.862 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.104 -5.681 0.680 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.084 -6.040 -0.299 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.529 -7.709 -0.224 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.047 -6.515 0.990 1.00 0.00 H new ATOM 604 N ALA A 40 6.102 -13.412 3.665 1.00 0.00 N ATOM 605 CA ALA A 40 4.891 -14.005 3.108 1.00 0.00 C ATOM 606 C ALA A 40 3.663 -13.172 3.454 1.00 0.00 C ATOM 607 O ALA A 40 3.518 -12.701 4.581 1.00 0.00 O ATOM 608 CB ALA A 40 4.724 -15.432 3.612 1.00 0.00 C ATOM 0 HA ALA A 40 4.990 -14.023 2.023 1.00 0.00 H new ATOM 0 HB1 ALA A 40 3.817 -15.863 3.189 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.585 -16.028 3.309 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.651 -15.428 4.700 1.00 0.00 H new ATOM 614 N ALA A 41 2.780 -12.994 2.476 1.00 0.00 N ATOM 615 CA ALA A 41 1.596 -12.164 2.658 1.00 0.00 C ATOM 616 C ALA A 41 0.367 -12.817 2.037 1.00 0.00 C ATOM 617 O ALA A 41 0.465 -13.524 1.033 1.00 0.00 O ATOM 618 CB ALA A 41 1.821 -10.784 2.058 1.00 0.00 C ATOM 0 H ALA A 41 2.863 -13.414 1.550 1.00 0.00 H new ATOM 0 HA ALA A 41 1.418 -12.059 3.728 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.928 -10.175 2.201 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.669 -10.307 2.550 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.027 -10.880 0.992 1.00 0.00 H new ATOM 624 N THR A 42 -0.794 -12.578 2.641 1.00 0.00 N ATOM 625 CA THR A 42 -2.060 -13.009 2.061 1.00 0.00 C ATOM 626 C THR A 42 -3.086 -11.881 2.080 1.00 0.00 C ATOM 627 O THR A 42 -3.282 -11.224 3.103 1.00 0.00 O ATOM 628 CB THR A 42 -2.637 -14.228 2.804 1.00 0.00 C ATOM 629 OG1 THR A 42 -1.705 -15.316 2.737 1.00 0.00 O ATOM 630 CG2 THR A 42 -3.957 -14.657 2.182 1.00 0.00 C ATOM 0 H THR A 42 -0.883 -12.088 3.531 1.00 0.00 H new ATOM 0 HA THR A 42 -1.853 -13.291 1.029 1.00 0.00 H new ATOM 0 HB THR A 42 -2.811 -13.952 3.844 1.00 0.00 H new ATOM 0 HG1 THR A 42 -2.072 -16.091 3.211 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.350 -15.520 2.720 1.00 0.00 H new ATOM 0 HG22 THR A 42 -4.671 -13.836 2.242 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.797 -14.923 1.137 1.00 0.00 H new ATOM 638 N VAL A 43 -3.738 -11.661 0.943 1.00 0.00 N ATOM 639 CA VAL A 43 -4.707 -10.579 0.816 1.00 0.00 C ATOM 640 C VAL A 43 -6.025 -11.088 0.241 1.00 0.00 C ATOM 641 O VAL A 43 -6.052 -11.713 -0.820 1.00 0.00 O ATOM 642 CB VAL A 43 -4.173 -9.443 -0.075 1.00 0.00 C ATOM 643 CG1 VAL A 43 -5.201 -8.327 -0.189 1.00 0.00 C ATOM 644 CG2 VAL A 43 -2.862 -8.903 0.477 1.00 0.00 C ATOM 0 H VAL A 43 -3.613 -12.217 0.097 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.877 -10.189 1.819 1.00 0.00 H new ATOM 0 HB VAL A 43 -3.988 -9.846 -1.071 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.807 -7.532 -0.822 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.118 -8.720 -0.629 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.416 -7.928 0.802 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.500 -8.101 -0.166 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.023 -8.517 1.484 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.123 -9.704 0.509 1.00 0.00 H new ATOM 654 N ASP A 44 -7.116 -10.816 0.948 1.00 0.00 N ATOM 655 CA ASP A 44 -8.453 -11.023 0.401 1.00 0.00 C ATOM 656 C ASP A 44 -9.022 -9.718 -0.147 1.00 0.00 C ATOM 657 O ASP A 44 -9.361 -8.809 0.613 1.00 0.00 O ATOM 658 CB ASP A 44 -9.387 -11.600 1.467 1.00 0.00 C ATOM 659 CG ASP A 44 -10.788 -11.924 0.965 1.00 0.00 C ATOM 660 OD1 ASP A 44 -11.065 -11.657 -0.180 1.00 0.00 O ATOM 661 OD2 ASP A 44 -11.516 -12.575 1.676 1.00 0.00 O ATOM 0 H ASP A 44 -7.102 -10.452 1.901 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.376 -11.737 -0.419 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -8.940 -12.508 1.872 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -9.464 -10.889 2.289 1.00 0.00 H new ATOM 666 N LEU A 45 -9.124 -9.632 -1.468 1.00 0.00 N ATOM 667 CA LEU A 45 -9.497 -8.385 -2.128 1.00 0.00 C ATOM 668 C LEU A 45 -11.012 -8.211 -2.146 1.00 0.00 C ATOM 669 O LEU A 45 -11.684 -8.634 -3.089 1.00 0.00 O ATOM 670 CB LEU A 45 -8.934 -8.349 -3.554 1.00 0.00 C ATOM 671 CG LEU A 45 -7.406 -8.270 -3.651 1.00 0.00 C ATOM 672 CD1 LEU A 45 -6.972 -8.320 -5.109 1.00 0.00 C ATOM 673 CD2 LEU A 45 -6.919 -6.990 -2.988 1.00 0.00 C ATOM 0 H LEU A 45 -8.954 -10.411 -2.104 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.069 -7.557 -1.563 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.270 -9.241 -4.083 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.360 -7.491 -4.074 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.965 -9.122 -3.134 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.885 -8.263 -5.167 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.311 -9.254 -5.558 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.409 -7.479 -5.648 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.833 -6.935 -3.057 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.359 -6.129 -3.492 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.216 -6.988 -1.939 1.00 0.00 H new ATOM 685 N ARG A 46 -11.545 -7.585 -1.103 1.00 0.00 N ATOM 686 CA ARG A 46 -12.971 -7.294 -1.031 1.00 0.00 C ATOM 687 C ARG A 46 -13.266 -6.280 0.069 1.00 0.00 C ATOM 688 O ARG A 46 -12.463 -6.091 0.983 1.00 0.00 O ATOM 689 CB ARG A 46 -13.808 -8.555 -0.869 1.00 0.00 C ATOM 690 CG ARG A 46 -13.593 -9.301 0.438 1.00 0.00 C ATOM 691 CD ARG A 46 -14.388 -10.549 0.569 1.00 0.00 C ATOM 692 NE ARG A 46 -14.044 -11.365 1.721 1.00 0.00 N ATOM 693 CZ ARG A 46 -14.569 -11.211 2.952 1.00 0.00 C ATOM 694 NH1 ARG A 46 -15.433 -10.252 3.205 1.00 0.00 N ATOM 695 NH2 ARG A 46 -14.176 -12.035 3.907 1.00 0.00 N ATOM 0 H ARG A 46 -11.010 -7.269 -0.294 1.00 0.00 H new ATOM 0 HA ARG A 46 -13.259 -6.850 -1.984 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -14.862 -8.287 -0.949 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -13.587 -9.229 -1.696 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -12.535 -9.547 0.533 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -13.841 -8.637 1.266 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -15.444 -10.287 0.628 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -14.257 -11.145 -0.334 1.00 0.00 H new ATOM 0 HE ARG A 46 -13.357 -12.107 1.588 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -15.715 -9.611 2.463 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -15.821 -10.149 4.143 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -13.492 -12.764 3.702 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -14.556 -11.942 4.849 1.00 0.00 H new ATOM 709 N GLU A 47 -14.421 -5.629 -0.027 1.00 0.00 N ATOM 710 CA GLU A 47 -14.911 -4.780 1.053 1.00 0.00 C ATOM 711 C GLU A 47 -15.145 -5.594 2.322 1.00 0.00 C ATOM 712 O GLU A 47 -15.929 -6.541 2.329 1.00 0.00 O ATOM 713 CB GLU A 47 -16.200 -4.070 0.635 1.00 0.00 C ATOM 714 CG GLU A 47 -16.693 -3.026 1.629 1.00 0.00 C ATOM 715 CD GLU A 47 -17.922 -2.326 1.118 1.00 0.00 C ATOM 716 OE1 GLU A 47 -18.320 -2.596 0.011 1.00 0.00 O ATOM 717 OE2 GLU A 47 -18.527 -1.603 1.876 1.00 0.00 O ATOM 0 H GLU A 47 -15.034 -5.673 -0.841 1.00 0.00 H new ATOM 0 HA GLU A 47 -14.150 -4.029 1.263 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -16.039 -3.588 -0.330 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -16.982 -4.816 0.492 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -16.914 -3.504 2.583 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -15.905 -2.295 1.814 1.00 0.00 H new ATOM 724 N GLY A 48 -14.457 -5.217 3.396 1.00 0.00 N ATOM 725 CA GLY A 48 -14.532 -5.977 4.630 1.00 0.00 C ATOM 726 C GLY A 48 -13.515 -7.098 4.683 1.00 0.00 C ATOM 727 O GLY A 48 -13.393 -7.790 5.695 1.00 0.00 O ATOM 0 H GLY A 48 -13.849 -4.399 3.433 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -14.374 -5.307 5.476 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -15.534 -6.394 4.736 1.00 0.00 H new ATOM 731 N GLY A 49 -12.781 -7.283 3.589 1.00 0.00 N ATOM 732 CA GLY A 49 -11.855 -8.397 3.497 1.00 0.00 C ATOM 733 C GLY A 49 -10.617 -8.194 4.345 1.00 0.00 C ATOM 734 O GLY A 49 -10.223 -7.061 4.620 1.00 0.00 O ATOM 0 H GLY A 49 -12.811 -6.682 2.766 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.360 -9.311 3.809 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.560 -8.535 2.457 1.00 0.00 H new ATOM 738 N ALA A 50 -10.001 -9.296 4.764 1.00 0.00 N ATOM 739 CA ALA A 50 -8.833 -9.234 5.633 1.00 0.00 C ATOM 740 C ALA A 50 -7.547 -9.438 4.840 1.00 0.00 C ATOM 741 O ALA A 50 -7.539 -10.126 3.820 1.00 0.00 O ATOM 742 CB ALA A 50 -8.943 -10.273 6.740 1.00 0.00 C ATOM 0 H ALA A 50 -10.292 -10.241 4.515 1.00 0.00 H new ATOM 0 HA ALA A 50 -8.798 -8.242 6.083 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.064 -10.215 7.382 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -9.838 -10.080 7.332 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.007 -11.268 6.300 1.00 0.00 H new ATOM 748 N PHE A 51 -6.461 -8.836 5.315 1.00 0.00 N ATOM 749 CA PHE A 51 -5.143 -9.071 4.740 1.00 0.00 C ATOM 750 C PHE A 51 -4.072 -9.092 5.827 1.00 0.00 C ATOM 751 O PHE A 51 -4.250 -8.513 6.900 1.00 0.00 O ATOM 752 CB PHE A 51 -4.815 -8.003 3.695 1.00 0.00 C ATOM 753 CG PHE A 51 -4.832 -6.602 4.235 1.00 0.00 C ATOM 754 CD1 PHE A 51 -3.682 -6.032 4.762 1.00 0.00 C ATOM 755 CD2 PHE A 51 -5.996 -5.849 4.217 1.00 0.00 C ATOM 756 CE1 PHE A 51 -3.696 -4.743 5.258 1.00 0.00 C ATOM 757 CE2 PHE A 51 -6.014 -4.560 4.712 1.00 0.00 C ATOM 758 CZ PHE A 51 -4.861 -4.006 5.234 1.00 0.00 C ATOM 0 H PHE A 51 -6.469 -8.181 6.097 1.00 0.00 H new ATOM 0 HA PHE A 51 -5.156 -10.045 4.252 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -3.830 -8.209 3.275 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.532 -8.076 2.877 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -2.765 -6.603 4.785 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -6.901 -6.276 3.810 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -2.793 -4.312 5.665 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -6.928 -3.986 4.691 1.00 0.00 H new ATOM 0 HZ PHE A 51 -4.872 -2.998 5.622 1.00 0.00 H new ATOM 768 N SER A 52 -2.960 -9.761 5.543 1.00 0.00 N ATOM 769 CA SER A 52 -1.878 -9.897 6.512 1.00 0.00 C ATOM 770 C SER A 52 -0.538 -10.075 5.807 1.00 0.00 C ATOM 771 O SER A 52 -0.446 -10.755 4.785 1.00 0.00 O ATOM 772 CB SER A 52 -2.149 -11.065 7.439 1.00 0.00 C ATOM 773 OG SER A 52 -1.109 -11.260 8.358 1.00 0.00 O ATOM 0 H SER A 52 -2.784 -10.218 4.648 1.00 0.00 H new ATOM 0 HA SER A 52 -1.830 -8.983 7.104 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.081 -10.891 7.978 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.286 -11.971 6.849 1.00 0.00 H new ATOM 0 HG SER A 52 -0.727 -10.393 8.608 1.00 0.00 H new ATOM 779 N SER A 53 0.502 -9.458 6.360 1.00 0.00 N ATOM 780 CA SER A 53 1.855 -9.622 5.839 1.00 0.00 C ATOM 781 C SER A 53 2.836 -9.927 6.967 1.00 0.00 C ATOM 782 O SER A 53 3.000 -9.135 7.895 1.00 0.00 O ATOM 783 CB SER A 53 2.282 -8.376 5.087 1.00 0.00 C ATOM 784 OG SER A 53 3.596 -8.473 4.612 1.00 0.00 O ATOM 0 H SER A 53 0.434 -8.840 7.169 1.00 0.00 H new ATOM 0 HA SER A 53 1.858 -10.466 5.149 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.605 -8.209 4.249 1.00 0.00 H new ATOM 0 HB3 SER A 53 2.197 -7.510 5.743 1.00 0.00 H new ATOM 0 HG SER A 53 3.832 -7.652 4.132 1.00 0.00 H new ATOM 790 N ARG A 54 3.489 -11.082 6.878 1.00 0.00 N ATOM 791 CA ARG A 54 4.340 -11.563 7.960 1.00 0.00 C ATOM 792 C ARG A 54 5.804 -11.584 7.530 1.00 0.00 C ATOM 793 O ARG A 54 6.138 -12.083 6.455 1.00 0.00 O ATOM 794 CB ARG A 54 3.890 -12.918 8.485 1.00 0.00 C ATOM 795 CG ARG A 54 4.686 -13.440 9.671 1.00 0.00 C ATOM 796 CD ARG A 54 4.252 -14.774 10.161 1.00 0.00 C ATOM 797 NE ARG A 54 5.076 -15.322 11.227 1.00 0.00 N ATOM 798 CZ ARG A 54 4.903 -15.061 12.537 1.00 0.00 C ATOM 799 NH1 ARG A 54 3.967 -14.235 12.946 1.00 0.00 N ATOM 800 NH2 ARG A 54 5.719 -15.641 13.401 1.00 0.00 N ATOM 0 H ARG A 54 3.445 -11.701 6.069 1.00 0.00 H new ATOM 0 HA ARG A 54 4.242 -10.862 8.789 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.841 -12.850 8.772 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.953 -13.645 7.675 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.738 -13.493 9.392 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.609 -12.723 10.489 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.224 -14.700 10.515 1.00 0.00 H new ATOM 0 HD3 ARG A 54 4.251 -15.472 9.324 1.00 0.00 H new ATOM 0 HE ARG A 54 5.838 -15.947 10.964 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.357 -13.779 12.267 1.00 0.00 H new ATOM 0 HH12 ARG A 54 3.850 -14.049 13.942 1.00 0.00 H new ATOM 0 HH21 ARG A 54 6.454 -16.266 13.068 1.00 0.00 H new ATOM 0 HH22 ARG A 54 5.614 -15.464 14.400 1.00 0.00 H new ATOM 964 N PHE A 66 2.133 -7.989 10.342 1.00 0.00 N ATOM 965 CA PHE A 66 1.148 -6.933 10.142 1.00 0.00 C ATOM 966 C PHE A 66 -0.180 -7.511 9.663 1.00 0.00 C ATOM 967 O PHE A 66 -0.213 -8.391 8.806 1.00 0.00 O ATOM 968 CB PHE A 66 1.667 -5.899 9.140 1.00 0.00 C ATOM 969 CG PHE A 66 2.884 -5.155 9.611 1.00 0.00 C ATOM 970 CD1 PHE A 66 4.144 -5.728 9.518 1.00 0.00 C ATOM 971 CD2 PHE A 66 2.773 -3.882 10.149 1.00 0.00 C ATOM 972 CE1 PHE A 66 5.265 -5.046 9.952 1.00 0.00 C ATOM 973 CE2 PHE A 66 3.891 -3.197 10.581 1.00 0.00 C ATOM 974 CZ PHE A 66 5.139 -3.781 10.483 1.00 0.00 C ATOM 0 HA PHE A 66 0.982 -6.440 11.100 1.00 0.00 H new ATOM 0 HB2 PHE A 66 1.901 -6.402 8.202 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.874 -5.182 8.928 1.00 0.00 H new ATOM 0 HD1 PHE A 66 4.250 -6.719 9.102 1.00 0.00 H new ATOM 0 HD2 PHE A 66 1.800 -3.421 10.231 1.00 0.00 H new ATOM 0 HE1 PHE A 66 6.240 -5.505 9.875 1.00 0.00 H new ATOM 0 HE2 PHE A 66 3.790 -2.205 10.995 1.00 0.00 H new ATOM 0 HZ PHE A 66 6.014 -3.247 10.822 1.00 0.00 H new ATOM 984 N ALA A 67 -1.275 -7.008 10.226 1.00 0.00 N ATOM 985 CA ALA A 67 -2.607 -7.441 9.827 1.00 0.00 C ATOM 986 C ALA A 67 -3.569 -6.261 9.756 1.00 0.00 C ATOM 987 O ALA A 67 -3.488 -5.332 10.559 1.00 0.00 O ATOM 988 CB ALA A 67 -3.132 -8.495 10.790 1.00 0.00 C ATOM 0 H ALA A 67 -1.264 -6.300 10.960 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.536 -7.879 8.831 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.128 -8.809 10.478 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.463 -9.356 10.787 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.181 -8.077 11.795 1.00 0.00 H new ATOM 994 N GLY A 68 -4.481 -6.302 8.789 1.00 0.00 N ATOM 995 CA GLY A 68 -5.436 -5.221 8.620 1.00 0.00 C ATOM 996 C GLY A 68 -6.688 -5.662 7.890 1.00 0.00 C ATOM 997 O GLY A 68 -6.754 -6.778 7.372 1.00 0.00 O ATOM 0 H GLY A 68 -4.576 -7.065 8.119 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -5.710 -4.826 9.598 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.965 -4.407 8.068 1.00 0.00 H new ATOM 1001 N THR A 69 -7.686 -4.784 7.847 1.00 0.00 N ATOM 1002 CA THR A 69 -8.950 -5.098 7.193 1.00 0.00 C ATOM 1003 C THR A 69 -9.395 -3.958 6.283 1.00 0.00 C ATOM 1004 O THR A 69 -9.095 -2.793 6.540 1.00 0.00 O ATOM 1005 CB THR A 69 -10.062 -5.387 8.219 1.00 0.00 C ATOM 1006 OG1 THR A 69 -10.271 -4.231 9.039 1.00 0.00 O ATOM 1007 CG2 THR A 69 -9.682 -6.568 9.099 1.00 0.00 C ATOM 0 H THR A 69 -7.643 -3.851 8.257 1.00 0.00 H new ATOM 0 HA THR A 69 -8.781 -5.993 6.595 1.00 0.00 H new ATOM 0 HB THR A 69 -10.979 -5.629 7.681 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.980 -4.416 9.690 1.00 0.00 H new ATOM 0 HG21 THR A 69 -10.479 -6.758 9.818 1.00 0.00 H new ATOM 0 HG22 THR A 69 -9.535 -7.452 8.478 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.759 -6.342 9.633 1.00 0.00 H new ATOM 1015 N TYR A 70 -10.113 -4.303 5.219 1.00 0.00 N ATOM 1016 CA TYR A 70 -10.679 -3.302 4.323 1.00 0.00 C ATOM 1017 C TYR A 70 -12.006 -2.777 4.861 1.00 0.00 C ATOM 1018 O TYR A 70 -12.756 -3.502 5.516 1.00 0.00 O ATOM 1019 CB TYR A 70 -10.880 -3.893 2.926 1.00 0.00 C ATOM 1020 CG TYR A 70 -9.587 -4.239 2.223 1.00 0.00 C ATOM 1021 CD1 TYR A 70 -8.693 -3.245 1.843 1.00 0.00 C ATOM 1022 CD2 TYR A 70 -9.259 -5.558 1.941 1.00 0.00 C ATOM 1023 CE1 TYR A 70 -7.511 -3.556 1.200 1.00 0.00 C ATOM 1024 CE2 TYR A 70 -8.078 -5.880 1.299 1.00 0.00 C ATOM 1025 CZ TYR A 70 -7.208 -4.876 0.930 1.00 0.00 C ATOM 1026 OH TYR A 70 -6.030 -5.189 0.290 1.00 0.00 O ATOM 0 H TYR A 70 -10.316 -5.267 4.957 1.00 0.00 H new ATOM 0 HA TYR A 70 -9.978 -2.469 4.261 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -11.492 -4.791 3.005 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -11.436 -3.181 2.316 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -8.927 -2.212 2.054 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -9.939 -6.347 2.228 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -6.828 -2.772 0.910 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -7.838 -6.912 1.088 1.00 0.00 H new ATOM 0 HH TYR A 70 -5.425 -5.635 0.919 1.00 0.00 H new ATOM 1036 N THR A 71 -12.293 -1.510 4.581 1.00 0.00 N ATOM 1037 CA THR A 71 -13.517 -0.879 5.056 1.00 0.00 C ATOM 1038 C THR A 71 -14.440 -0.526 3.895 1.00 0.00 C ATOM 1039 O THR A 71 -15.663 -0.565 4.028 1.00 0.00 O ATOM 1040 CB THR A 71 -13.218 0.396 5.866 1.00 0.00 C ATOM 1041 OG1 THR A 71 -12.625 1.381 5.011 1.00 0.00 O ATOM 1042 CG2 THR A 71 -12.266 0.087 7.013 1.00 0.00 C ATOM 0 H THR A 71 -11.693 -0.900 4.026 1.00 0.00 H new ATOM 0 HA THR A 71 -14.012 -1.602 5.704 1.00 0.00 H new ATOM 0 HB THR A 71 -14.154 0.776 6.275 1.00 0.00 H new ATOM 0 HG1 THR A 71 -12.787 2.274 5.380 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.065 0.999 7.575 1.00 0.00 H new ATOM 0 HG22 THR A 71 -12.719 -0.653 7.672 1.00 0.00 H new ATOM 0 HG23 THR A 71 -11.331 -0.306 6.614 1.00 0.00 H new ATOM 1050 N LYS A 72 -13.848 -0.184 2.756 1.00 0.00 N ATOM 1051 CA LYS A 72 -14.604 0.350 1.630 1.00 0.00 C ATOM 1052 C LYS A 72 -13.792 0.267 0.341 1.00 0.00 C ATOM 1053 O LYS A 72 -12.584 0.505 0.340 1.00 0.00 O ATOM 1054 CB LYS A 72 -15.022 1.795 1.900 1.00 0.00 C ATOM 1055 CG LYS A 72 -15.945 2.391 0.846 1.00 0.00 C ATOM 1056 CD LYS A 72 -16.373 3.804 1.220 1.00 0.00 C ATOM 1057 CE LYS A 72 -17.391 4.353 0.231 1.00 0.00 C ATOM 1058 NZ LYS A 72 -17.818 5.734 0.584 1.00 0.00 N ATOM 0 H LYS A 72 -12.845 -0.267 2.588 1.00 0.00 H new ATOM 0 HA LYS A 72 -15.502 -0.256 1.510 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -15.519 1.841 2.869 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.126 2.412 1.972 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -15.437 2.406 -0.118 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -16.826 1.760 0.733 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -16.801 3.803 2.223 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -15.500 4.456 1.246 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -16.962 4.351 -0.771 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -18.262 3.699 0.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -18.511 6.072 -0.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -18.251 5.732 1.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -16.991 6.364 0.583 1.00 0.00 H new ATOM 1072 N VAL A 73 -14.464 -0.070 -0.756 1.00 0.00 N ATOM 1073 CA VAL A 73 -13.850 -0.010 -2.077 1.00 0.00 C ATOM 1074 C VAL A 73 -14.885 0.317 -3.148 1.00 0.00 C ATOM 1075 O VAL A 73 -15.980 -0.244 -3.161 1.00 0.00 O ATOM 1076 CB VAL A 73 -13.153 -1.336 -2.437 1.00 0.00 C ATOM 1077 CG1 VAL A 73 -14.160 -2.476 -2.470 1.00 0.00 C ATOM 1078 CG2 VAL A 73 -12.443 -1.217 -3.777 1.00 0.00 C ATOM 0 H VAL A 73 -15.433 -0.387 -0.756 1.00 0.00 H new ATOM 0 HA VAL A 73 -13.103 0.783 -2.042 1.00 0.00 H new ATOM 0 HB VAL A 73 -12.410 -1.554 -1.670 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -13.650 -3.405 -2.726 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -14.628 -2.577 -1.491 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -14.925 -2.264 -3.217 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -11.956 -2.162 -4.016 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -13.169 -0.976 -4.553 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -11.694 -0.427 -3.723 1.00 0.00 H new ATOM 1088 N VAL A 74 -14.528 1.226 -4.048 1.00 0.00 N ATOM 1089 CA VAL A 74 -15.472 1.737 -5.036 1.00 0.00 C ATOM 1090 C VAL A 74 -14.925 1.579 -6.450 1.00 0.00 C ATOM 1091 O VAL A 74 -13.963 2.243 -6.831 1.00 0.00 O ATOM 1092 CB VAL A 74 -15.806 3.219 -4.786 1.00 0.00 C ATOM 1093 CG1 VAL A 74 -16.779 3.731 -5.838 1.00 0.00 C ATOM 1094 CG2 VAL A 74 -16.384 3.408 -3.392 1.00 0.00 C ATOM 0 H VAL A 74 -13.591 1.625 -4.114 1.00 0.00 H new ATOM 0 HA VAL A 74 -16.384 1.149 -4.934 1.00 0.00 H new ATOM 0 HB VAL A 74 -14.884 3.796 -4.858 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -17.004 4.780 -5.646 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -16.331 3.631 -6.827 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -17.700 3.149 -5.796 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -16.614 4.462 -3.233 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -17.296 2.819 -3.293 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -15.657 3.079 -2.649 1.00 0.00 H new ATOM 1104 N GLU A 75 -15.548 0.695 -7.224 1.00 0.00 N ATOM 1105 CA GLU A 75 -15.263 0.595 -8.651 1.00 0.00 C ATOM 1106 C GLU A 75 -13.760 0.525 -8.901 1.00 0.00 C ATOM 1107 O GLU A 75 -13.272 0.963 -9.942 1.00 0.00 O ATOM 1108 CB GLU A 75 -15.869 1.781 -9.404 1.00 0.00 C ATOM 1109 CG GLU A 75 -17.385 1.878 -9.310 1.00 0.00 C ATOM 1110 CD GLU A 75 -17.908 3.045 -10.100 1.00 0.00 C ATOM 1111 OE1 GLU A 75 -17.113 3.780 -10.634 1.00 0.00 O ATOM 1112 OE2 GLU A 75 -19.102 3.139 -10.263 1.00 0.00 O ATOM 0 H GLU A 75 -16.252 0.039 -6.887 1.00 0.00 H new ATOM 0 HA GLU A 75 -15.717 -0.324 -9.022 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -15.434 2.702 -9.017 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -15.586 1.712 -10.454 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -17.834 0.956 -9.679 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -17.681 1.981 -8.266 1.00 0.00 H new ATOM 1119 N ASN A 76 -13.031 -0.033 -7.940 1.00 0.00 N ATOM 1120 CA ASN A 76 -11.580 -0.147 -8.048 1.00 0.00 C ATOM 1121 C ASN A 76 -10.945 1.215 -8.311 1.00 0.00 C ATOM 1122 O ASN A 76 -9.965 1.323 -9.046 1.00 0.00 O ATOM 1123 CB ASN A 76 -11.179 -1.133 -9.130 1.00 0.00 C ATOM 1124 CG ASN A 76 -11.799 -2.494 -8.968 1.00 0.00 C ATOM 1125 OD1 ASN A 76 -11.576 -3.185 -7.968 1.00 0.00 O ATOM 1126 ND2 ASN A 76 -12.509 -2.915 -9.985 1.00 0.00 N ATOM 0 H ASN A 76 -13.421 -0.413 -7.078 1.00 0.00 H new ATOM 0 HA ASN A 76 -11.211 -0.525 -7.094 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -11.462 -0.728 -10.101 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -10.094 -1.236 -9.132 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -12.908 -3.854 -9.975 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -12.663 -2.304 -10.787 1.00 0.00 H new ATOM 1133 N LYS A 77 -11.512 2.252 -7.704 1.00 0.00 N ATOM 1134 CA LYS A 77 -11.074 3.620 -7.958 1.00 0.00 C ATOM 1135 C LYS A 77 -10.715 4.327 -6.655 1.00 0.00 C ATOM 1136 O LYS A 77 -9.983 5.317 -6.658 1.00 0.00 O ATOM 1137 CB LYS A 77 -12.159 4.401 -8.702 1.00 0.00 C ATOM 1138 CG LYS A 77 -12.363 3.974 -10.149 1.00 0.00 C ATOM 1139 CD LYS A 77 -13.604 4.618 -10.747 1.00 0.00 C ATOM 1140 CE LYS A 77 -13.892 4.080 -12.141 1.00 0.00 C ATOM 1141 NZ LYS A 77 -15.187 4.582 -12.676 1.00 0.00 N ATOM 0 H LYS A 77 -12.276 2.172 -7.033 1.00 0.00 H new ATOM 0 HA LYS A 77 -10.182 3.578 -8.583 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -13.102 4.289 -8.167 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -11.905 5.461 -8.681 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -11.488 4.249 -10.738 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -12.453 2.889 -10.201 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -14.461 4.431 -10.099 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -13.469 5.699 -10.793 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -13.085 4.369 -12.815 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -13.909 2.991 -12.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -15.377 4.139 -13.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -15.952 4.344 -12.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -15.138 5.614 -12.792 1.00 0.00 H new ATOM 1155 N ARG A 78 -11.232 3.811 -5.545 1.00 0.00 N ATOM 1156 CA ARG A 78 -10.807 4.261 -4.226 1.00 0.00 C ATOM 1157 C ARG A 78 -11.042 3.175 -3.179 1.00 0.00 C ATOM 1158 O ARG A 78 -12.025 2.437 -3.248 1.00 0.00 O ATOM 1159 CB ARG A 78 -11.462 5.575 -3.826 1.00 0.00 C ATOM 1160 CG ARG A 78 -12.975 5.605 -3.974 1.00 0.00 C ATOM 1161 CD ARG A 78 -13.595 6.916 -3.651 1.00 0.00 C ATOM 1162 NE ARG A 78 -13.266 7.984 -4.580 1.00 0.00 N ATOM 1163 CZ ARG A 78 -13.599 9.278 -4.407 1.00 0.00 C ATOM 1164 NH1 ARG A 78 -14.299 9.664 -3.365 1.00 0.00 N ATOM 1165 NH2 ARG A 78 -13.220 10.149 -5.328 1.00 0.00 N ATOM 0 H ARG A 78 -11.945 3.082 -5.533 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.735 4.453 -4.279 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.208 5.790 -2.788 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -11.036 6.376 -4.430 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -13.234 5.337 -4.998 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -13.407 4.842 -3.326 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -14.678 6.795 -3.625 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -13.284 7.214 -2.650 1.00 0.00 H new ATOM 0 HE ARG A 78 -12.746 7.737 -5.422 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -14.599 8.980 -2.671 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -14.542 10.648 -3.250 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -12.691 9.834 -6.141 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -13.457 11.136 -5.225 1.00 0.00 H new ATOM 1179 N ILE A 79 -10.134 3.086 -2.213 1.00 0.00 N ATOM 1180 CA ILE A 79 -10.140 1.981 -1.261 1.00 0.00 C ATOM 1181 C ILE A 79 -9.607 2.424 0.097 1.00 0.00 C ATOM 1182 O ILE A 79 -8.577 3.093 0.183 1.00 0.00 O ATOM 1183 CB ILE A 79 -9.303 0.793 -1.770 1.00 0.00 C ATOM 1184 CG1 ILE A 79 -9.486 -0.419 -0.852 1.00 0.00 C ATOM 1185 CG2 ILE A 79 -7.834 1.178 -1.861 1.00 0.00 C ATOM 1186 CD1 ILE A 79 -8.986 -1.716 -1.448 1.00 0.00 C ATOM 0 H ILE A 79 -9.386 3.764 -2.069 1.00 0.00 H new ATOM 0 HA ILE A 79 -11.177 1.661 -1.154 1.00 0.00 H new ATOM 0 HB ILE A 79 -9.650 0.526 -2.768 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -8.962 -0.235 0.086 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -10.544 -0.524 -0.611 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -7.257 0.327 -2.222 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -7.719 2.014 -2.551 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -7.472 1.469 -0.875 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -9.149 -2.529 -0.740 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -9.527 -1.925 -2.371 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -7.921 -1.631 -1.663 1.00 0.00 H new ATOM 1198 N GLU A 80 -10.315 2.045 1.157 1.00 0.00 N ATOM 1199 CA GLU A 80 -9.916 2.410 2.511 1.00 0.00 C ATOM 1200 C GLU A 80 -9.734 1.167 3.379 1.00 0.00 C ATOM 1201 O GLU A 80 -10.513 0.218 3.291 1.00 0.00 O ATOM 1202 CB GLU A 80 -10.948 3.347 3.141 1.00 0.00 C ATOM 1203 CG GLU A 80 -10.545 3.907 4.497 1.00 0.00 C ATOM 1204 CD GLU A 80 -11.658 4.710 5.110 1.00 0.00 C ATOM 1205 OE1 GLU A 80 -12.656 4.131 5.467 1.00 0.00 O ATOM 1206 OE2 GLU A 80 -11.468 5.884 5.324 1.00 0.00 O ATOM 0 H GLU A 80 -11.167 1.486 1.104 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.960 2.931 2.451 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.131 4.177 2.459 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -11.890 2.810 3.249 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -10.274 3.089 5.164 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -9.660 4.534 4.385 1.00 0.00 H new ATOM 1213 N TYR A 81 -8.702 1.182 4.214 1.00 0.00 N ATOM 1214 CA TYR A 81 -8.414 0.055 5.093 1.00 0.00 C ATOM 1215 C TYR A 81 -7.859 0.535 6.430 1.00 0.00 C ATOM 1216 O TYR A 81 -7.312 1.633 6.529 1.00 0.00 O ATOM 1217 CB TYR A 81 -7.429 -0.907 4.426 1.00 0.00 C ATOM 1218 CG TYR A 81 -6.110 -0.269 4.046 1.00 0.00 C ATOM 1219 CD1 TYR A 81 -5.951 0.359 2.820 1.00 0.00 C ATOM 1220 CD2 TYR A 81 -5.029 -0.297 4.916 1.00 0.00 C ATOM 1221 CE1 TYR A 81 -4.750 0.944 2.468 1.00 0.00 C ATOM 1222 CE2 TYR A 81 -3.823 0.286 4.574 1.00 0.00 C ATOM 1223 CZ TYR A 81 -3.689 0.905 3.348 1.00 0.00 C ATOM 1224 OH TYR A 81 -2.489 1.485 3.002 1.00 0.00 O ATOM 0 H TYR A 81 -8.051 1.962 4.301 1.00 0.00 H new ATOM 0 HA TYR A 81 -9.348 -0.474 5.280 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -7.237 -1.741 5.101 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -7.892 -1.322 3.531 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -6.780 0.391 2.129 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -5.132 -0.782 5.876 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -4.643 1.429 1.509 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -2.991 0.257 5.262 1.00 0.00 H new ATOM 0 HH TYR A 81 -2.155 2.019 3.753 1.00 0.00 H new ATOM 1234 N ALA A 82 -8.003 -0.297 7.456 1.00 0.00 N ATOM 1235 CA ALA A 82 -7.639 0.093 8.813 1.00 0.00 C ATOM 1236 C ALA A 82 -6.566 -0.829 9.380 1.00 0.00 C ATOM 1237 O ALA A 82 -6.595 -2.041 9.161 1.00 0.00 O ATOM 1238 CB ALA A 82 -8.869 0.090 9.710 1.00 0.00 C ATOM 0 H ALA A 82 -8.369 -1.245 7.374 1.00 0.00 H new ATOM 0 HA ALA A 82 -7.231 1.103 8.778 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -8.583 0.383 10.720 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -9.604 0.795 9.322 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.302 -0.910 9.731 1.00 0.00 H new ATOM 1244 N PHE A 83 -5.619 -0.249 10.110 1.00 0.00 N ATOM 1245 CA PHE A 83 -4.591 -1.031 10.787 1.00 0.00 C ATOM 1246 C PHE A 83 -4.529 -0.678 12.271 1.00 0.00 C ATOM 1247 O PHE A 83 -4.019 0.375 12.650 1.00 0.00 O ATOM 1248 CB PHE A 83 -3.226 -0.803 10.133 1.00 0.00 C ATOM 1249 CG PHE A 83 -2.099 -1.524 10.816 1.00 0.00 C ATOM 1250 CD1 PHE A 83 -1.796 -2.836 10.489 1.00 0.00 C ATOM 1251 CD2 PHE A 83 -1.338 -0.890 11.788 1.00 0.00 C ATOM 1252 CE1 PHE A 83 -0.758 -3.500 11.117 1.00 0.00 C ATOM 1253 CE2 PHE A 83 -0.300 -1.549 12.415 1.00 0.00 C ATOM 1254 CZ PHE A 83 -0.011 -2.856 12.080 1.00 0.00 C ATOM 0 H PHE A 83 -5.542 0.759 10.248 1.00 0.00 H new ATOM 0 HA PHE A 83 -4.853 -2.085 10.694 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -3.274 -1.125 9.093 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.010 0.265 10.126 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -2.377 -3.346 9.735 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.561 0.132 12.057 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -0.533 -4.523 10.853 1.00 0.00 H new ATOM 0 HE2 PHE A 83 0.286 -1.042 13.167 1.00 0.00 H new ATOM 0 HZ PHE A 83 0.799 -3.374 12.572 1.00 0.00 H new ATOM 1264 N GLY A 84 -5.056 -1.570 13.105 1.00 0.00 N ATOM 1265 CA GLY A 84 -5.071 -1.326 14.536 1.00 0.00 C ATOM 1266 C GLY A 84 -5.962 -0.159 14.916 1.00 0.00 C ATOM 1267 O GLY A 84 -7.172 -0.194 14.691 1.00 0.00 O ATOM 0 H GLY A 84 -5.472 -2.455 12.816 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -5.414 -2.224 15.051 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -4.055 -1.130 14.879 1.00 0.00 H new ATOM 1271 N ASP A 85 -5.363 0.876 15.495 1.00 0.00 N ATOM 1272 CA ASP A 85 -6.095 2.089 15.836 1.00 0.00 C ATOM 1273 C ASP A 85 -5.816 3.196 14.825 1.00 0.00 C ATOM 1274 O ASP A 85 -6.121 4.365 15.067 1.00 0.00 O ATOM 1275 CB ASP A 85 -5.731 2.557 17.247 1.00 0.00 C ATOM 1276 CG ASP A 85 -4.260 2.901 17.436 1.00 0.00 C ATOM 1277 OD1 ASP A 85 -3.504 2.716 16.512 1.00 0.00 O ATOM 1278 OD2 ASP A 85 -3.933 3.490 18.438 1.00 0.00 O ATOM 0 H ASP A 85 -4.373 0.899 15.738 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.160 1.859 15.807 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.331 3.434 17.492 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -6.003 1.776 17.957 1.00 0.00 H new ATOM 1283 N ARG A 86 -5.232 2.822 13.692 1.00 0.00 N ATOM 1284 CA ARG A 86 -4.927 3.780 12.635 1.00 0.00 C ATOM 1285 C ARG A 86 -5.649 3.410 11.342 1.00 0.00 C ATOM 1286 O ARG A 86 -6.071 2.268 11.158 1.00 0.00 O ATOM 1287 CB ARG A 86 -3.430 3.938 12.416 1.00 0.00 C ATOM 1288 CG ARG A 86 -2.673 4.546 13.585 1.00 0.00 C ATOM 1289 CD ARG A 86 -1.241 4.830 13.306 1.00 0.00 C ATOM 1290 NE ARG A 86 -0.426 3.648 13.075 1.00 0.00 N ATOM 1291 CZ ARG A 86 0.038 2.837 14.045 1.00 0.00 C ATOM 1292 NH1 ARG A 86 -0.195 3.095 15.313 1.00 0.00 N ATOM 1293 NH2 ARG A 86 0.757 1.786 13.690 1.00 0.00 N ATOM 0 H ARG A 86 -4.960 1.862 13.482 1.00 0.00 H new ATOM 0 HA ARG A 86 -5.296 4.752 12.961 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -3.004 2.959 12.196 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.270 4.560 11.535 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -3.165 5.474 13.878 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.738 3.868 14.436 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.176 5.477 12.432 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.823 5.385 14.146 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.189 3.417 12.110 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.735 3.920 15.575 1.00 0.00 H new ATOM 0 HH12 ARG A 86 0.164 2.470 16.035 1.00 0.00 H new ATOM 0 HH21 ARG A 86 0.947 1.607 12.704 1.00 0.00 H new ATOM 0 HH22 ARG A 86 1.122 1.154 14.402 1.00 0.00 H new ATOM 1307 N THR A 87 -5.788 4.385 10.448 1.00 0.00 N ATOM 1308 CA THR A 87 -6.519 4.183 9.204 1.00 0.00 C ATOM 1309 C THR A 87 -5.729 4.707 8.011 1.00 0.00 C ATOM 1310 O THR A 87 -4.837 5.540 8.163 1.00 0.00 O ATOM 1311 CB THR A 87 -7.896 4.872 9.240 1.00 0.00 C ATOM 1312 OG1 THR A 87 -7.721 6.287 9.384 1.00 0.00 O ATOM 1313 CG2 THR A 87 -8.725 4.345 10.401 1.00 0.00 C ATOM 0 H THR A 87 -5.403 5.323 10.563 1.00 0.00 H new ATOM 0 HA THR A 87 -6.665 3.108 9.095 1.00 0.00 H new ATOM 0 HB THR A 87 -8.418 4.657 8.308 1.00 0.00 H new ATOM 0 HG1 THR A 87 -8.598 6.725 9.405 1.00 0.00 H new ATOM 0 HG21 THR A 87 -9.695 4.843 10.411 1.00 0.00 H new ATOM 0 HG22 THR A 87 -8.870 3.271 10.287 1.00 0.00 H new ATOM 0 HG23 THR A 87 -8.206 4.543 11.339 1.00 0.00 H new ATOM 1321 N ALA A 88 -6.066 4.215 6.823 1.00 0.00 N ATOM 1322 CA ALA A 88 -5.503 4.748 5.589 1.00 0.00 C ATOM 1323 C ALA A 88 -6.518 4.690 4.453 1.00 0.00 C ATOM 1324 O ALA A 88 -7.325 3.764 4.373 1.00 0.00 O ATOM 1325 CB ALA A 88 -4.242 3.986 5.211 1.00 0.00 C ATOM 0 H ALA A 88 -6.726 3.449 6.690 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.245 5.793 5.759 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -3.833 4.395 4.287 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.505 4.083 6.009 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -4.483 2.933 5.066 1.00 0.00 H new ATOM 1331 N LYS A 89 -6.472 5.686 3.572 1.00 0.00 N ATOM 1332 CA LYS A 89 -7.404 5.761 2.454 1.00 0.00 C ATOM 1333 C LYS A 89 -6.673 6.099 1.159 1.00 0.00 C ATOM 1334 O LYS A 89 -5.890 7.047 1.105 1.00 0.00 O ATOM 1335 CB LYS A 89 -8.495 6.797 2.733 1.00 0.00 C ATOM 1336 CG LYS A 89 -9.606 6.835 1.692 1.00 0.00 C ATOM 1337 CD LYS A 89 -10.728 7.771 2.115 1.00 0.00 C ATOM 1338 CE LYS A 89 -11.841 7.808 1.077 1.00 0.00 C ATOM 1339 NZ LYS A 89 -12.983 8.652 1.516 1.00 0.00 N ATOM 0 H LYS A 89 -5.799 6.451 3.612 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.872 4.784 2.338 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -8.935 6.590 3.709 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -8.036 7.784 2.793 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -9.199 7.161 0.735 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -10.003 5.831 1.544 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -11.133 7.446 3.074 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -10.331 8.775 2.261 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -11.447 8.192 0.136 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -12.192 6.794 0.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -13.719 8.650 0.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -13.376 8.271 2.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -12.654 9.626 1.674 1.00 0.00 H new ATOM 1353 N VAL A 90 -6.935 5.318 0.116 1.00 0.00 N ATOM 1354 CA VAL A 90 -6.247 5.488 -1.159 1.00 0.00 C ATOM 1355 C VAL A 90 -7.228 5.839 -2.272 1.00 0.00 C ATOM 1356 O VAL A 90 -8.297 5.238 -2.382 1.00 0.00 O ATOM 1357 CB VAL A 90 -5.468 4.220 -1.555 1.00 0.00 C ATOM 1358 CG1 VAL A 90 -4.721 4.440 -2.862 1.00 0.00 C ATOM 1359 CG2 VAL A 90 -4.499 3.823 -0.451 1.00 0.00 C ATOM 0 H VAL A 90 -7.619 4.561 0.129 1.00 0.00 H new ATOM 0 HA VAL A 90 -5.542 6.309 -1.028 1.00 0.00 H new ATOM 0 HB VAL A 90 -6.182 3.409 -1.697 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.176 3.534 -3.127 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -5.433 4.679 -3.652 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -4.018 5.265 -2.745 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -3.957 2.925 -0.748 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.791 4.634 -0.279 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -5.054 3.625 0.466 1.00 0.00 H new ATOM 1369 N GLU A 91 -6.858 6.815 -3.095 1.00 0.00 N ATOM 1370 CA GLU A 91 -7.664 7.183 -4.252 1.00 0.00 C ATOM 1371 C GLU A 91 -6.845 7.090 -5.537 1.00 0.00 C ATOM 1372 O GLU A 91 -5.647 7.376 -5.544 1.00 0.00 O ATOM 1373 CB GLU A 91 -8.229 8.596 -4.086 1.00 0.00 C ATOM 1374 CG GLU A 91 -9.237 8.741 -2.955 1.00 0.00 C ATOM 1375 CD GLU A 91 -9.809 10.130 -2.908 1.00 0.00 C ATOM 1376 OE1 GLU A 91 -9.410 10.944 -3.706 1.00 0.00 O ATOM 1377 OE2 GLU A 91 -10.724 10.348 -2.150 1.00 0.00 O ATOM 0 H GLU A 91 -6.006 7.364 -2.982 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.494 6.480 -4.322 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -7.404 9.286 -3.911 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.704 8.897 -5.020 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -10.042 8.018 -3.088 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -8.756 8.511 -2.004 1.00 0.00 H new ATOM 1384 N PHE A 92 -7.499 6.689 -6.621 1.00 0.00 N ATOM 1385 CA PHE A 92 -6.828 6.539 -7.908 1.00 0.00 C ATOM 1386 C PHE A 92 -7.455 7.451 -8.958 1.00 0.00 C ATOM 1387 O PHE A 92 -8.669 7.437 -9.166 1.00 0.00 O ATOM 1388 CB PHE A 92 -6.881 5.082 -8.373 1.00 0.00 C ATOM 1389 CG PHE A 92 -6.272 4.113 -7.400 1.00 0.00 C ATOM 1390 CD1 PHE A 92 -7.040 3.542 -6.396 1.00 0.00 C ATOM 1391 CD2 PHE A 92 -4.931 3.771 -7.485 1.00 0.00 C ATOM 1392 CE1 PHE A 92 -6.481 2.650 -5.500 1.00 0.00 C ATOM 1393 CE2 PHE A 92 -4.371 2.879 -6.592 1.00 0.00 C ATOM 1394 CZ PHE A 92 -5.148 2.318 -5.598 1.00 0.00 C ATOM 0 H PHE A 92 -8.493 6.462 -6.635 1.00 0.00 H new ATOM 0 HA PHE A 92 -5.785 6.829 -7.781 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -7.920 4.803 -8.547 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -6.364 4.996 -9.329 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -8.086 3.797 -6.313 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.317 4.208 -8.259 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -7.090 2.213 -4.722 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.325 2.620 -6.671 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.711 1.620 -4.899 1.00 0.00 H new ATOM 1404 N LEU A 93 -6.619 8.243 -9.620 1.00 0.00 N ATOM 1405 CA LEU A 93 -7.093 9.190 -10.622 1.00 0.00 C ATOM 1406 C LEU A 93 -6.500 8.876 -11.993 1.00 0.00 C ATOM 1407 O LEU A 93 -5.285 8.748 -12.138 1.00 0.00 O ATOM 1408 CB LEU A 93 -6.746 10.625 -10.203 1.00 0.00 C ATOM 1409 CG LEU A 93 -7.108 11.709 -11.226 1.00 0.00 C ATOM 1410 CD1 LEU A 93 -8.620 11.793 -11.386 1.00 0.00 C ATOM 1411 CD2 LEU A 93 -6.538 13.046 -10.774 1.00 0.00 C ATOM 0 H LEU A 93 -5.609 8.248 -9.481 1.00 0.00 H new ATOM 0 HA LEU A 93 -8.177 9.098 -10.694 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.257 10.847 -9.266 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.676 10.679 -10.003 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.677 11.453 -12.194 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -8.866 12.566 -12.114 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -9.003 10.833 -11.732 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -9.074 12.041 -10.427 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -6.796 13.816 -11.501 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.956 13.310 -9.803 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.454 12.971 -10.694 1.00 0.00 H new ATOM 1423 N GLU A 94 -7.367 8.756 -12.993 1.00 0.00 N ATOM 1424 CA GLU A 94 -6.927 8.480 -14.356 1.00 0.00 C ATOM 1425 C GLU A 94 -6.392 9.744 -15.022 1.00 0.00 C ATOM 1426 O GLU A 94 -7.122 10.717 -15.205 1.00 0.00 O ATOM 1427 CB GLU A 94 -8.073 7.892 -15.182 1.00 0.00 C ATOM 1428 CG GLU A 94 -7.687 7.495 -16.599 1.00 0.00 C ATOM 1429 CD GLU A 94 -8.865 6.943 -17.352 1.00 0.00 C ATOM 1430 OE1 GLU A 94 -9.927 6.868 -16.783 1.00 0.00 O ATOM 1431 OE2 GLU A 94 -8.732 6.700 -18.529 1.00 0.00 O ATOM 0 H GLU A 94 -8.377 8.845 -12.886 1.00 0.00 H new ATOM 0 HA GLU A 94 -6.120 7.749 -14.308 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -8.464 7.015 -14.666 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -8.882 8.621 -15.230 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -7.290 8.362 -17.126 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -6.892 6.750 -16.566 1.00 0.00 H new ATOM 1438 N ALA A 95 -5.113 9.721 -15.380 1.00 0.00 N ATOM 1439 CA ALA A 95 -4.507 10.819 -16.123 1.00 0.00 C ATOM 1440 C ALA A 95 -4.368 10.472 -17.602 1.00 0.00 C ATOM 1441 O ALA A 95 -4.378 9.305 -17.992 1.00 0.00 O ATOM 1442 CB ALA A 95 -3.151 11.171 -15.532 1.00 0.00 C ATOM 0 H ALA A 95 -4.476 8.953 -15.167 1.00 0.00 H new ATOM 0 HA ALA A 95 -5.163 11.686 -16.041 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.710 11.992 -16.097 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -3.274 11.471 -14.491 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -2.495 10.302 -15.584 1.00 0.00 H new ATOM 1448 N PRO A 96 -4.237 11.507 -18.444 1.00 0.00 N ATOM 1449 CA PRO A 96 -4.036 11.334 -19.885 1.00 0.00 C ATOM 1450 C PRO A 96 -2.711 10.650 -20.208 1.00 0.00 C ATOM 1451 O PRO A 96 -2.590 9.959 -21.218 1.00 0.00 O ATOM 1452 CB PRO A 96 -4.090 12.760 -20.438 1.00 0.00 C ATOM 1453 CG PRO A 96 -3.719 13.623 -19.281 1.00 0.00 C ATOM 1454 CD PRO A 96 -4.300 12.939 -18.073 1.00 0.00 C ATOM 0 HA PRO A 96 -4.789 10.683 -20.329 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -3.396 12.890 -21.269 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -5.085 13.003 -20.812 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -2.637 13.721 -19.195 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -4.122 14.629 -19.395 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -3.723 13.149 -17.173 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -5.323 13.262 -17.878 1.00 0.00 H new ATOM 1462 N GLN A 97 -1.722 10.849 -19.343 1.00 0.00 N ATOM 1463 CA GLN A 97 -0.380 10.335 -19.587 1.00 0.00 C ATOM 1464 C GLN A 97 -0.092 9.123 -18.707 1.00 0.00 C ATOM 1465 O GLN A 97 0.908 8.433 -18.892 1.00 0.00 O ATOM 1466 CB GLN A 97 0.666 11.423 -19.332 1.00 0.00 C ATOM 1467 CG GLN A 97 0.557 12.622 -20.258 1.00 0.00 C ATOM 1468 CD GLN A 97 1.613 13.672 -19.973 1.00 0.00 C ATOM 1469 OE1 GLN A 97 2.544 13.441 -19.197 1.00 0.00 O ATOM 1470 NE2 GLN A 97 1.473 14.836 -20.597 1.00 0.00 N ATOM 0 H GLN A 97 -1.825 11.362 -18.468 1.00 0.00 H new ATOM 0 HA GLN A 97 -0.324 10.027 -20.631 1.00 0.00 H new ATOM 0 HB2 GLN A 97 0.574 11.765 -18.301 1.00 0.00 H new ATOM 0 HB3 GLN A 97 1.660 10.987 -19.436 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.650 12.289 -21.292 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -0.432 13.068 -20.155 1.00 0.00 H new ATOM 0 HE21 GLN A 97 0.687 14.984 -21.231 1.00 0.00 H new ATOM 0 HE22 GLN A 97 2.151 15.582 -20.443 1.00 0.00 H new ATOM 1479 N GLY A 98 -0.976 8.873 -17.745 1.00 0.00 N ATOM 1480 CA GLY A 98 -0.734 7.827 -16.769 1.00 0.00 C ATOM 1481 C GLY A 98 -1.825 7.749 -15.719 1.00 0.00 C ATOM 1482 O GLY A 98 -2.933 8.246 -15.926 1.00 0.00 O ATOM 0 H GLY A 98 -1.855 9.376 -17.625 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -0.657 6.868 -17.281 1.00 0.00 H new ATOM 0 HA3 GLY A 98 0.224 8.005 -16.280 1.00 0.00 H new ATOM 1486 N VAL A 99 -1.513 7.123 -14.589 1.00 0.00 N ATOM 1487 CA VAL A 99 -2.415 7.120 -13.443 1.00 0.00 C ATOM 1488 C VAL A 99 -1.764 7.773 -12.229 1.00 0.00 C ATOM 1489 O VAL A 99 -0.602 7.509 -11.916 1.00 0.00 O ATOM 1490 CB VAL A 99 -2.845 5.687 -13.074 1.00 0.00 C ATOM 1491 CG1 VAL A 99 -1.650 4.877 -12.596 1.00 0.00 C ATOM 1492 CG2 VAL A 99 -3.937 5.717 -12.013 1.00 0.00 C ATOM 0 H VAL A 99 -0.643 6.611 -14.442 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.296 7.694 -13.730 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.247 5.205 -13.965 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.973 3.868 -12.340 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.903 4.829 -13.388 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -1.216 5.353 -11.717 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -4.230 4.697 -11.763 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -3.562 6.216 -11.119 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -4.802 6.259 -12.396 1.00 0.00 H new ATOM 1502 N THR A 100 -2.521 8.626 -11.547 1.00 0.00 N ATOM 1503 CA THR A 100 -2.045 9.259 -10.324 1.00 0.00 C ATOM 1504 C THR A 100 -2.620 8.572 -9.089 1.00 0.00 C ATOM 1505 O THR A 100 -3.835 8.440 -8.950 1.00 0.00 O ATOM 1506 CB THR A 100 -2.410 10.754 -10.282 1.00 0.00 C ATOM 1507 OG1 THR A 100 -1.763 11.436 -11.365 1.00 0.00 O ATOM 1508 CG2 THR A 100 -1.971 11.375 -8.964 1.00 0.00 C ATOM 0 H THR A 100 -3.466 8.894 -11.821 1.00 0.00 H new ATOM 0 HA THR A 100 -0.960 9.159 -10.321 1.00 0.00 H new ATOM 0 HB THR A 100 -3.492 10.851 -10.375 1.00 0.00 H new ATOM 0 HG1 THR A 100 -0.791 11.361 -11.264 1.00 0.00 H new ATOM 0 HG21 THR A 100 -2.238 12.432 -8.953 1.00 0.00 H new ATOM 0 HG22 THR A 100 -2.469 10.867 -8.138 1.00 0.00 H new ATOM 0 HG23 THR A 100 -0.891 11.272 -8.855 1.00 0.00 H new ATOM 1516 N VAL A 101 -1.738 8.134 -8.198 1.00 0.00 N ATOM 1517 CA VAL A 101 -2.156 7.419 -6.997 1.00 0.00 C ATOM 1518 C VAL A 101 -1.907 8.254 -5.746 1.00 0.00 C ATOM 1519 O VAL A 101 -0.780 8.672 -5.480 1.00 0.00 O ATOM 1520 CB VAL A 101 -1.416 6.075 -6.859 1.00 0.00 C ATOM 1521 CG1 VAL A 101 -1.866 5.344 -5.603 1.00 0.00 C ATOM 1522 CG2 VAL A 101 -1.637 5.216 -8.094 1.00 0.00 C ATOM 0 H VAL A 101 -0.730 8.261 -8.284 1.00 0.00 H new ATOM 0 HA VAL A 101 -3.225 7.229 -7.097 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.348 6.275 -6.771 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.333 4.397 -5.522 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.651 5.957 -4.728 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.938 5.153 -5.657 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.107 4.270 -7.979 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.703 5.022 -8.216 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -1.260 5.739 -8.973 1.00 0.00 H new ATOM 1532 N ARG A 102 -2.967 8.491 -4.980 1.00 0.00 N ATOM 1533 CA ARG A 102 -2.866 9.280 -3.758 1.00 0.00 C ATOM 1534 C ARG A 102 -3.158 8.423 -2.531 1.00 0.00 C ATOM 1535 O ARG A 102 -4.218 7.803 -2.431 1.00 0.00 O ATOM 1536 CB ARG A 102 -3.749 10.519 -3.798 1.00 0.00 C ATOM 1537 CG ARG A 102 -3.761 11.336 -2.517 1.00 0.00 C ATOM 1538 CD ARG A 102 -4.609 12.555 -2.576 1.00 0.00 C ATOM 1539 NE ARG A 102 -4.148 13.565 -3.515 1.00 0.00 N ATOM 1540 CZ ARG A 102 -4.854 14.654 -3.876 1.00 0.00 C ATOM 1541 NH1 ARG A 102 -6.066 14.860 -3.409 1.00 0.00 N ATOM 1542 NH2 ARG A 102 -4.306 15.499 -4.730 1.00 0.00 N ATOM 0 H ARG A 102 -3.906 8.148 -5.184 1.00 0.00 H new ATOM 0 HA ARG A 102 -1.838 9.634 -3.685 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -3.417 11.158 -4.616 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -4.770 10.213 -4.026 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -4.110 10.704 -1.700 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -2.739 11.630 -2.278 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -5.624 12.263 -2.845 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -4.657 12.997 -1.581 1.00 0.00 H new ATOM 0 HE ARG A 102 -3.225 13.440 -3.930 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -6.485 14.190 -2.764 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -6.587 15.690 -3.692 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -3.372 15.318 -5.098 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -4.817 16.332 -5.022 1.00 0.00 H new ATOM 1556 N VAL A 103 -2.211 8.389 -1.600 1.00 0.00 N ATOM 1557 CA VAL A 103 -2.366 7.609 -0.378 1.00 0.00 C ATOM 1558 C VAL A 103 -2.294 8.499 0.858 1.00 0.00 C ATOM 1559 O VAL A 103 -1.314 9.216 1.062 1.00 0.00 O ATOM 1560 CB VAL A 103 -1.294 6.509 -0.271 1.00 0.00 C ATOM 1561 CG1 VAL A 103 -1.480 5.707 1.009 1.00 0.00 C ATOM 1562 CG2 VAL A 103 -1.347 5.592 -1.484 1.00 0.00 C ATOM 0 H VAL A 103 -1.327 8.893 -1.669 1.00 0.00 H new ATOM 0 HA VAL A 103 -3.349 7.141 -0.427 1.00 0.00 H new ATOM 0 HB VAL A 103 -0.314 6.986 -0.242 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -0.714 4.934 1.069 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -1.394 6.370 1.870 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -2.466 5.242 1.007 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -0.582 4.821 -1.391 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.329 5.124 -1.543 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -1.167 6.174 -2.388 1.00 0.00 H new ATOM 1572 N SER A 104 -3.337 8.449 1.679 1.00 0.00 N ATOM 1573 CA SER A 104 -3.333 9.136 2.964 1.00 0.00 C ATOM 1574 C SER A 104 -3.429 8.138 4.114 1.00 0.00 C ATOM 1575 O SER A 104 -4.256 7.227 4.093 1.00 0.00 O ATOM 1576 CB SER A 104 -4.474 10.132 3.029 1.00 0.00 C ATOM 1577 OG SER A 104 -4.325 11.166 2.095 1.00 0.00 O ATOM 0 H SER A 104 -4.197 7.939 1.477 1.00 0.00 H new ATOM 0 HA SER A 104 -2.391 9.675 3.062 1.00 0.00 H new ATOM 0 HB2 SER A 104 -5.417 9.615 2.849 1.00 0.00 H new ATOM 0 HB3 SER A 104 -4.529 10.555 4.032 1.00 0.00 H new ATOM 0 HG SER A 104 -5.081 11.785 2.169 1.00 0.00 H new ATOM 1583 N PHE A 105 -2.574 8.316 5.116 1.00 0.00 N ATOM 1584 CA PHE A 105 -2.529 7.405 6.254 1.00 0.00 C ATOM 1585 C PHE A 105 -2.242 8.162 7.547 1.00 0.00 C ATOM 1586 O PHE A 105 -1.666 9.250 7.527 1.00 0.00 O ATOM 1587 CB PHE A 105 -1.464 6.329 6.032 1.00 0.00 C ATOM 1588 CG PHE A 105 -0.061 6.866 6.040 1.00 0.00 C ATOM 1589 CD1 PHE A 105 0.485 7.430 4.899 1.00 0.00 C ATOM 1590 CD2 PHE A 105 0.712 6.804 7.189 1.00 0.00 C ATOM 1591 CE1 PHE A 105 1.777 7.925 4.902 1.00 0.00 C ATOM 1592 CE2 PHE A 105 2.003 7.298 7.199 1.00 0.00 C ATOM 1593 CZ PHE A 105 2.536 7.857 6.053 1.00 0.00 C ATOM 0 H PHE A 105 -1.903 9.083 5.163 1.00 0.00 H new ATOM 0 HA PHE A 105 -3.505 6.927 6.343 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -1.559 5.569 6.808 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -1.651 5.835 5.078 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -0.105 7.484 3.996 1.00 0.00 H new ATOM 0 HD2 PHE A 105 0.301 6.365 8.086 1.00 0.00 H new ATOM 0 HE1 PHE A 105 2.191 8.364 4.006 1.00 0.00 H new ATOM 0 HE2 PHE A 105 2.594 7.247 8.101 1.00 0.00 H new ATOM 0 HZ PHE A 105 3.546 8.240 6.058 1.00 0.00 H new ATOM 1603 N VAL A 106 -2.649 7.580 8.671 1.00 0.00 N ATOM 1604 CA VAL A 106 -2.365 8.160 9.979 1.00 0.00 C ATOM 1605 C VAL A 106 -0.945 7.834 10.427 1.00 0.00 C ATOM 1606 O VAL A 106 -0.514 6.682 10.369 1.00 0.00 O ATOM 1607 CB VAL A 106 -3.358 7.661 11.045 1.00 0.00 C ATOM 1608 CG1 VAL A 106 -2.987 8.210 12.415 1.00 0.00 C ATOM 1609 CG2 VAL A 106 -4.778 8.063 10.679 1.00 0.00 C ATOM 0 H VAL A 106 -3.176 6.707 8.702 1.00 0.00 H new ATOM 0 HA VAL A 106 -2.471 9.240 9.876 1.00 0.00 H new ATOM 0 HB VAL A 106 -3.306 6.573 11.082 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -3.699 7.848 13.157 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -1.984 7.877 12.681 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -3.012 9.299 12.389 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -5.467 7.702 11.443 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -4.844 9.149 10.615 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -5.043 7.626 9.716 1.00 0.00 H new ATOM 1619 N ALA A 107 -0.222 8.855 10.875 1.00 0.00 N ATOM 1620 CA ALA A 107 1.157 8.680 11.314 1.00 0.00 C ATOM 1621 C ALA A 107 1.215 7.984 12.670 1.00 0.00 C ATOM 1622 O ALA A 107 0.417 8.270 13.561 1.00 0.00 O ATOM 1623 CB ALA A 107 1.864 10.025 11.378 1.00 0.00 C ATOM 0 H ALA A 107 -0.568 9.812 10.943 1.00 0.00 H new ATOM 0 HA ALA A 107 1.668 8.048 10.588 1.00 0.00 H new ATOM 0 HB1 ALA A 107 2.893 9.880 11.707 1.00 0.00 H new ATOM 0 HB2 ALA A 107 1.861 10.485 10.390 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.346 10.675 12.083 1.00 0.00 H new ATOM 1629 N GLU A 108 2.169 7.069 12.819 1.00 0.00 N ATOM 1630 CA GLU A 108 2.366 6.372 14.083 1.00 0.00 C ATOM 1631 C GLU A 108 3.022 7.289 15.112 1.00 0.00 C ATOM 1632 O GLU A 108 4.061 7.895 14.848 1.00 0.00 O ATOM 1633 CB GLU A 108 3.217 5.115 13.877 1.00 0.00 C ATOM 1634 CG GLU A 108 3.381 4.256 15.122 1.00 0.00 C ATOM 1635 CD GLU A 108 4.115 2.982 14.814 1.00 0.00 C ATOM 1636 OE1 GLU A 108 4.487 2.791 13.680 1.00 0.00 O ATOM 1637 OE2 GLU A 108 4.405 2.248 15.730 1.00 0.00 O ATOM 0 H GLU A 108 2.816 6.794 12.080 1.00 0.00 H new ATOM 0 HA GLU A 108 1.388 6.074 14.460 1.00 0.00 H new ATOM 0 HB2 GLU A 108 2.766 4.510 13.090 1.00 0.00 H new ATOM 0 HB3 GLU A 108 4.204 5.413 13.523 1.00 0.00 H new ATOM 0 HG2 GLU A 108 3.924 4.816 15.884 1.00 0.00 H new ATOM 0 HG3 GLU A 108 2.400 4.022 15.537 1.00 0.00 H new ATOM 1644 N THR A 109 2.408 7.386 16.288 1.00 0.00 N ATOM 1645 CA THR A 109 2.852 8.328 17.307 1.00 0.00 C ATOM 1646 C THR A 109 4.202 7.917 17.884 1.00 0.00 C ATOM 1647 O THR A 109 4.934 8.745 18.426 1.00 0.00 O ATOM 1648 CB THR A 109 1.830 8.447 18.452 1.00 0.00 C ATOM 1649 OG1 THR A 109 1.662 7.169 19.081 1.00 0.00 O ATOM 1650 CG2 THR A 109 0.488 8.926 17.920 1.00 0.00 C ATOM 0 H THR A 109 1.601 6.823 16.557 1.00 0.00 H new ATOM 0 HA THR A 109 2.948 9.298 16.818 1.00 0.00 H new ATOM 0 HB THR A 109 2.202 9.171 19.177 1.00 0.00 H new ATOM 0 HG1 THR A 109 1.013 7.246 19.811 1.00 0.00 H new ATOM 0 HG21 THR A 109 -0.223 9.004 18.743 1.00 0.00 H new ATOM 0 HG22 THR A 109 0.610 9.903 17.451 1.00 0.00 H new ATOM 0 HG23 THR A 109 0.114 8.215 17.184 1.00 0.00 H new ATOM 1658 N GLU A 110 4.525 6.632 17.764 1.00 0.00 N ATOM 1659 CA GLU A 110 5.779 6.108 18.295 1.00 0.00 C ATOM 1660 C GLU A 110 6.963 6.570 17.451 1.00 0.00 C ATOM 1661 O GLU A 110 8.116 6.467 17.870 1.00 0.00 O ATOM 1662 CB GLU A 110 5.739 4.580 18.357 1.00 0.00 C ATOM 1663 CG GLU A 110 4.759 4.018 19.378 1.00 0.00 C ATOM 1664 CD GLU A 110 4.733 2.515 19.340 1.00 0.00 C ATOM 1665 OE1 GLU A 110 5.447 1.947 18.548 1.00 0.00 O ATOM 1666 OE2 GLU A 110 4.085 1.931 20.176 1.00 0.00 O ATOM 0 H GLU A 110 3.937 5.936 17.305 1.00 0.00 H new ATOM 0 HA GLU A 110 5.905 6.496 19.306 1.00 0.00 H new ATOM 0 HB2 GLU A 110 5.478 4.195 17.371 1.00 0.00 H new ATOM 0 HB3 GLU A 110 6.738 4.212 18.589 1.00 0.00 H new ATOM 0 HG2 GLU A 110 5.038 4.354 20.377 1.00 0.00 H new ATOM 0 HG3 GLU A 110 3.760 4.406 19.179 1.00 0.00 H new ATOM 1673 N TYR A 111 6.669 7.079 16.259 1.00 0.00 N ATOM 1674 CA TYR A 111 7.705 7.581 15.366 1.00 0.00 C ATOM 1675 C TYR A 111 7.398 9.008 14.923 1.00 0.00 C ATOM 1676 O TYR A 111 6.242 9.426 14.843 1.00 0.00 O ATOM 1677 CB TYR A 111 7.851 6.670 14.145 1.00 0.00 C ATOM 1678 CG TYR A 111 8.389 5.294 14.470 1.00 0.00 C ATOM 1679 CD1 TYR A 111 7.534 4.255 14.805 1.00 0.00 C ATOM 1680 CD2 TYR A 111 9.752 5.038 14.437 1.00 0.00 C ATOM 1681 CE1 TYR A 111 8.021 2.996 15.102 1.00 0.00 C ATOM 1682 CE2 TYR A 111 10.250 3.784 14.732 1.00 0.00 C ATOM 1683 CZ TYR A 111 9.381 2.765 15.064 1.00 0.00 C ATOM 1684 OH TYR A 111 9.871 1.513 15.357 1.00 0.00 O ATOM 0 H TYR A 111 5.721 7.154 15.890 1.00 0.00 H new ATOM 0 HA TYR A 111 8.647 7.586 15.914 1.00 0.00 H new ATOM 0 HB2 TYR A 111 6.879 6.565 13.663 1.00 0.00 H new ATOM 0 HB3 TYR A 111 8.514 7.148 13.424 1.00 0.00 H new ATOM 0 HD1 TYR A 111 6.469 4.433 14.834 1.00 0.00 H new ATOM 0 HD2 TYR A 111 10.435 5.833 14.176 1.00 0.00 H new ATOM 0 HE1 TYR A 111 7.341 2.198 15.362 1.00 0.00 H new ATOM 0 HE2 TYR A 111 11.314 3.602 14.703 1.00 0.00 H new ATOM 0 HH TYR A 111 10.848 1.519 15.283 1.00 0.00 H new ATOM 1694 N PRO A 112 8.457 9.776 14.626 1.00 0.00 N ATOM 1695 CA PRO A 112 8.325 11.147 14.124 1.00 0.00 C ATOM 1696 C PRO A 112 7.680 11.200 12.743 1.00 0.00 C ATOM 1697 O PRO A 112 7.822 10.274 11.945 1.00 0.00 O ATOM 1698 CB PRO A 112 9.764 11.671 14.099 1.00 0.00 C ATOM 1699 CG PRO A 112 10.604 10.446 13.978 1.00 0.00 C ATOM 1700 CD PRO A 112 9.880 9.387 14.767 1.00 0.00 C ATOM 0 HA PRO A 112 7.669 11.751 14.751 1.00 0.00 H new ATOM 0 HB2 PRO A 112 9.926 12.348 13.260 1.00 0.00 H new ATOM 0 HB3 PRO A 112 10.000 12.226 15.007 1.00 0.00 H new ATOM 0 HG2 PRO A 112 10.719 10.150 12.935 1.00 0.00 H new ATOM 0 HG3 PRO A 112 11.605 10.615 14.374 1.00 0.00 H new ATOM 0 HD2 PRO A 112 10.067 8.390 14.369 1.00 0.00 H new ATOM 0 HD3 PRO A 112 10.194 9.377 15.811 1.00 0.00 H new ATOM 1708 N VAL A 113 6.972 12.289 12.467 1.00 0.00 N ATOM 1709 CA VAL A 113 6.254 12.438 11.207 1.00 0.00 C ATOM 1710 C VAL A 113 7.181 12.215 10.018 1.00 0.00 C ATOM 1711 O VAL A 113 6.796 11.595 9.027 1.00 0.00 O ATOM 1712 CB VAL A 113 5.603 13.828 11.087 1.00 0.00 C ATOM 1713 CG1 VAL A 113 5.049 14.037 9.685 1.00 0.00 C ATOM 1714 CG2 VAL A 113 4.501 13.992 12.123 1.00 0.00 C ATOM 0 H VAL A 113 6.880 13.083 13.100 1.00 0.00 H new ATOM 0 HA VAL A 113 5.470 11.681 11.200 1.00 0.00 H new ATOM 0 HB VAL A 113 6.367 14.583 11.273 1.00 0.00 H new ATOM 0 HG11 VAL A 113 4.592 15.024 9.618 1.00 0.00 H new ATOM 0 HG12 VAL A 113 5.858 13.961 8.959 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.299 13.275 9.473 1.00 0.00 H new ATOM 0 HG21 VAL A 113 4.052 14.980 12.023 1.00 0.00 H new ATOM 0 HG22 VAL A 113 3.738 13.229 11.966 1.00 0.00 H new ATOM 0 HG23 VAL A 113 4.922 13.884 13.122 1.00 0.00 H new ATOM 1724 N GLU A 114 8.403 12.726 10.123 1.00 0.00 N ATOM 1725 CA GLU A 114 9.374 12.611 9.041 1.00 0.00 C ATOM 1726 C GLU A 114 9.687 11.148 8.745 1.00 0.00 C ATOM 1727 O GLU A 114 9.806 10.749 7.586 1.00 0.00 O ATOM 1728 CB GLU A 114 10.658 13.367 9.391 1.00 0.00 C ATOM 1729 CG GLU A 114 10.515 14.882 9.393 1.00 0.00 C ATOM 1730 CD GLU A 114 11.775 15.550 9.870 1.00 0.00 C ATOM 1731 OE1 GLU A 114 12.685 14.854 10.250 1.00 0.00 O ATOM 1732 OE2 GLU A 114 11.872 16.748 9.748 1.00 0.00 O ATOM 0 H GLU A 114 8.744 13.223 10.945 1.00 0.00 H new ATOM 0 HA GLU A 114 8.938 13.056 8.147 1.00 0.00 H new ATOM 0 HB2 GLU A 114 10.998 13.045 10.375 1.00 0.00 H new ATOM 0 HB3 GLU A 114 11.435 13.089 8.679 1.00 0.00 H new ATOM 0 HG2 GLU A 114 10.276 15.228 8.387 1.00 0.00 H new ATOM 0 HG3 GLU A 114 9.683 15.170 10.035 1.00 0.00 H new ATOM 1739 N GLN A 115 9.825 10.351 9.801 1.00 0.00 N ATOM 1740 CA GLN A 115 10.164 8.942 9.655 1.00 0.00 C ATOM 1741 C GLN A 115 9.042 8.179 8.962 1.00 0.00 C ATOM 1742 O GLN A 115 9.290 7.341 8.096 1.00 0.00 O ATOM 1743 CB GLN A 115 10.451 8.314 11.022 1.00 0.00 C ATOM 1744 CG GLN A 115 10.842 6.848 10.963 1.00 0.00 C ATOM 1745 CD GLN A 115 12.138 6.624 10.207 1.00 0.00 C ATOM 1746 OE1 GLN A 115 13.127 7.332 10.419 1.00 0.00 O ATOM 1747 NE2 GLN A 115 12.139 5.640 9.315 1.00 0.00 N ATOM 0 H GLN A 115 9.707 10.659 10.766 1.00 0.00 H new ATOM 0 HA GLN A 115 11.060 8.877 9.038 1.00 0.00 H new ATOM 0 HB2 GLN A 115 11.252 8.873 11.505 1.00 0.00 H new ATOM 0 HB3 GLN A 115 9.566 8.418 11.650 1.00 0.00 H new ATOM 0 HG2 GLN A 115 10.945 6.461 11.977 1.00 0.00 H new ATOM 0 HG3 GLN A 115 10.043 6.281 10.485 1.00 0.00 H new ATOM 0 HE21 GLN A 115 11.299 5.080 9.173 1.00 0.00 H new ATOM 0 HE22 GLN A 115 12.980 5.444 8.772 1.00 0.00 H new ATOM 1756 N GLN A 116 7.804 8.475 9.348 1.00 0.00 N ATOM 1757 CA GLN A 116 6.642 7.822 8.756 1.00 0.00 C ATOM 1758 C GLN A 116 6.453 8.260 7.308 1.00 0.00 C ATOM 1759 O GLN A 116 6.134 7.444 6.442 1.00 0.00 O ATOM 1760 CB GLN A 116 5.380 8.137 9.564 1.00 0.00 C ATOM 1761 CG GLN A 116 5.291 7.406 10.892 1.00 0.00 C ATOM 1762 CD GLN A 116 5.198 5.902 10.721 1.00 0.00 C ATOM 1763 OE1 GLN A 116 4.345 5.399 9.983 1.00 0.00 O ATOM 1764 NE2 GLN A 116 6.073 5.174 11.404 1.00 0.00 N ATOM 0 H GLN A 116 7.580 9.162 10.068 1.00 0.00 H new ATOM 0 HA GLN A 116 6.815 6.746 8.775 1.00 0.00 H new ATOM 0 HB2 GLN A 116 5.340 9.210 9.750 1.00 0.00 H new ATOM 0 HB3 GLN A 116 4.506 7.884 8.964 1.00 0.00 H new ATOM 0 HG2 GLN A 116 6.167 7.647 11.495 1.00 0.00 H new ATOM 0 HG3 GLN A 116 4.419 7.761 11.441 1.00 0.00 H new ATOM 0 HE21 GLN A 116 6.761 5.632 12.002 1.00 0.00 H new ATOM 0 HE22 GLN A 116 6.058 4.157 11.331 1.00 0.00 H new ATOM 1773 N GLN A 117 6.649 9.549 7.053 1.00 0.00 N ATOM 1774 CA GLN A 117 6.495 10.093 5.709 1.00 0.00 C ATOM 1775 C GLN A 117 7.509 9.477 4.753 1.00 0.00 C ATOM 1776 O GLN A 117 7.150 8.992 3.680 1.00 0.00 O ATOM 1777 CB GLN A 117 6.655 11.616 5.725 1.00 0.00 C ATOM 1778 CG GLN A 117 6.498 12.273 4.365 1.00 0.00 C ATOM 1779 CD GLN A 117 6.681 13.777 4.424 1.00 0.00 C ATOM 1780 OE1 GLN A 117 6.999 14.338 5.477 1.00 0.00 O ATOM 1781 NE2 GLN A 117 6.477 14.442 3.293 1.00 0.00 N ATOM 0 H GLN A 117 6.915 10.236 7.759 1.00 0.00 H new ATOM 0 HA GLN A 117 5.493 9.844 5.360 1.00 0.00 H new ATOM 0 HB2 GLN A 117 5.919 12.040 6.408 1.00 0.00 H new ATOM 0 HB3 GLN A 117 7.639 11.862 6.124 1.00 0.00 H new ATOM 0 HG2 GLN A 117 7.226 11.848 3.673 1.00 0.00 H new ATOM 0 HG3 GLN A 117 5.509 12.046 3.967 1.00 0.00 H new ATOM 0 HE21 GLN A 117 6.215 13.938 2.445 1.00 0.00 H new ATOM 0 HE22 GLN A 117 6.582 15.456 3.272 1.00 0.00 H new ATOM 1790 N GLN A 118 8.778 9.500 5.148 1.00 0.00 N ATOM 1791 CA GLN A 118 9.854 9.024 4.288 1.00 0.00 C ATOM 1792 C GLN A 118 9.800 7.507 4.135 1.00 0.00 C ATOM 1793 O GLN A 118 10.001 6.976 3.043 1.00 0.00 O ATOM 1794 CB GLN A 118 11.216 9.442 4.850 1.00 0.00 C ATOM 1795 CG GLN A 118 11.505 10.929 4.741 1.00 0.00 C ATOM 1796 CD GLN A 118 12.809 11.315 5.413 1.00 0.00 C ATOM 1797 OE1 GLN A 118 13.469 10.485 6.044 1.00 0.00 O ATOM 1798 NE2 GLN A 118 13.186 12.583 5.284 1.00 0.00 N ATOM 0 H GLN A 118 9.086 9.843 6.058 1.00 0.00 H new ATOM 0 HA GLN A 118 9.721 9.477 3.305 1.00 0.00 H new ATOM 0 HB2 GLN A 118 11.269 9.149 5.899 1.00 0.00 H new ATOM 0 HB3 GLN A 118 11.997 8.892 4.325 1.00 0.00 H new ATOM 0 HG2 GLN A 118 11.543 11.213 3.689 1.00 0.00 H new ATOM 0 HG3 GLN A 118 10.687 11.490 5.193 1.00 0.00 H new ATOM 0 HE21 GLN A 118 12.609 13.235 4.753 1.00 0.00 H new ATOM 0 HE22 GLN A 118 14.052 12.904 5.716 1.00 0.00 H new ATOM 1807 N GLY A 119 9.529 6.815 5.237 1.00 0.00 N ATOM 1808 CA GLY A 119 9.433 5.368 5.199 1.00 0.00 C ATOM 1809 C GLY A 119 8.291 4.884 4.327 1.00 0.00 C ATOM 1810 O GLY A 119 8.457 3.955 3.538 1.00 0.00 O ATOM 0 H GLY A 119 9.374 7.231 6.155 1.00 0.00 H new ATOM 0 HA2 GLY A 119 10.370 4.955 4.827 1.00 0.00 H new ATOM 0 HA3 GLY A 119 9.298 4.989 6.212 1.00 0.00 H new ATOM 1814 N TRP A 120 7.133 5.515 4.470 1.00 0.00 N ATOM 1815 CA TRP A 120 5.981 5.199 3.632 1.00 0.00 C ATOM 1816 C TRP A 120 6.262 5.541 2.172 1.00 0.00 C ATOM 1817 O TRP A 120 5.869 4.804 1.268 1.00 0.00 O ATOM 1818 CB TRP A 120 4.746 5.959 4.117 1.00 0.00 C ATOM 1819 CG TRP A 120 3.470 5.473 3.501 1.00 0.00 C ATOM 1820 CD1 TRP A 120 2.910 5.900 2.331 1.00 0.00 C ATOM 1821 CD2 TRP A 120 2.594 4.467 4.023 1.00 0.00 C ATOM 1822 NE1 TRP A 120 1.738 5.221 2.093 1.00 0.00 N ATOM 1823 CE2 TRP A 120 1.522 4.336 3.117 1.00 0.00 C ATOM 1824 CE3 TRP A 120 2.610 3.664 5.166 1.00 0.00 C ATOM 1825 CZ2 TRP A 120 0.481 3.436 3.321 1.00 0.00 C ATOM 1826 CZ3 TRP A 120 1.575 2.771 5.368 1.00 0.00 C ATOM 1827 CH2 TRP A 120 0.522 2.662 4.449 1.00 0.00 C ATOM 0 H TRP A 120 6.965 6.249 5.158 1.00 0.00 H new ATOM 0 HA TRP A 120 5.791 4.128 3.707 1.00 0.00 H new ATOM 0 HB2 TRP A 120 4.675 5.869 5.201 1.00 0.00 H new ATOM 0 HB3 TRP A 120 4.869 7.019 3.893 1.00 0.00 H new ATOM 0 HD1 TRP A 120 3.327 6.660 1.687 1.00 0.00 H new ATOM 0 HE1 TRP A 120 1.129 5.354 1.286 1.00 0.00 H new ATOM 0 HE3 TRP A 120 3.417 3.740 5.879 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -0.331 3.351 2.614 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 1.577 2.146 6.249 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -0.272 1.954 4.635 1.00 0.00 H new ATOM 1838 N GLN A 121 6.942 6.661 1.951 1.00 0.00 N ATOM 1839 CA GLN A 121 7.329 7.065 0.605 1.00 0.00 C ATOM 1840 C GLN A 121 8.258 6.034 -0.027 1.00 0.00 C ATOM 1841 O GLN A 121 8.166 5.751 -1.221 1.00 0.00 O ATOM 1842 CB GLN A 121 8.014 8.434 0.631 1.00 0.00 C ATOM 1843 CG GLN A 121 8.436 8.945 -0.736 1.00 0.00 C ATOM 1844 CD GLN A 121 7.253 9.193 -1.653 1.00 0.00 C ATOM 1845 OE1 GLN A 121 6.294 9.875 -1.283 1.00 0.00 O ATOM 1846 NE2 GLN A 121 7.311 8.632 -2.856 1.00 0.00 N ATOM 0 H GLN A 121 7.236 7.304 2.686 1.00 0.00 H new ATOM 0 HA GLN A 121 6.423 7.133 0.003 1.00 0.00 H new ATOM 0 HB2 GLN A 121 7.337 9.158 1.084 1.00 0.00 H new ATOM 0 HB3 GLN A 121 8.894 8.376 1.272 1.00 0.00 H new ATOM 0 HG2 GLN A 121 8.999 9.870 -0.617 1.00 0.00 H new ATOM 0 HG3 GLN A 121 9.106 8.221 -1.200 1.00 0.00 H new ATOM 0 HE21 GLN A 121 8.124 8.076 -3.121 1.00 0.00 H new ATOM 0 HE22 GLN A 121 6.543 8.758 -3.515 1.00 0.00 H new ATOM 1855 N ALA A 122 9.153 5.477 0.782 1.00 0.00 N ATOM 1856 CA ALA A 122 10.050 4.425 0.319 1.00 0.00 C ATOM 1857 C ALA A 122 9.268 3.195 -0.130 1.00 0.00 C ATOM 1858 O ALA A 122 9.645 2.525 -1.092 1.00 0.00 O ATOM 1859 CB ALA A 122 11.037 4.053 1.415 1.00 0.00 C ATOM 0 H ALA A 122 9.276 5.736 1.761 1.00 0.00 H new ATOM 0 HA ALA A 122 10.603 4.805 -0.540 1.00 0.00 H new ATOM 0 HB1 ALA A 122 11.701 3.266 1.055 1.00 0.00 H new ATOM 0 HB2 ALA A 122 11.626 4.929 1.687 1.00 0.00 H new ATOM 0 HB3 ALA A 122 10.492 3.697 2.289 1.00 0.00 H new ATOM 1865 N ILE A 123 8.177 2.904 0.572 1.00 0.00 N ATOM 1866 CA ILE A 123 7.283 1.823 0.178 1.00 0.00 C ATOM 1867 C ILE A 123 6.610 2.124 -1.156 1.00 0.00 C ATOM 1868 O ILE A 123 6.534 1.263 -2.034 1.00 0.00 O ATOM 1869 CB ILE A 123 6.201 1.568 1.244 1.00 0.00 C ATOM 1870 CG1 ILE A 123 6.836 1.043 2.534 1.00 0.00 C ATOM 1871 CG2 ILE A 123 5.160 0.590 0.722 1.00 0.00 C ATOM 1872 CD1 ILE A 123 5.904 1.061 3.725 1.00 0.00 C ATOM 0 H ILE A 123 7.892 3.402 1.415 1.00 0.00 H new ATOM 0 HA ILE A 123 7.897 0.928 0.077 1.00 0.00 H new ATOM 0 HB ILE A 123 5.703 2.512 1.466 1.00 0.00 H new ATOM 0 HG12 ILE A 123 7.180 0.022 2.369 1.00 0.00 H new ATOM 0 HG13 ILE A 123 7.717 1.643 2.765 1.00 0.00 H new ATOM 0 HG21 ILE A 123 4.403 0.421 1.488 1.00 0.00 H new ATOM 0 HG22 ILE A 123 4.688 1.002 -0.170 1.00 0.00 H new ATOM 0 HG23 ILE A 123 5.642 -0.356 0.473 1.00 0.00 H new ATOM 0 HD11 ILE A 123 6.425 0.675 4.601 1.00 0.00 H new ATOM 0 HD12 ILE A 123 5.579 2.084 3.918 1.00 0.00 H new ATOM 0 HD13 ILE A 123 5.035 0.438 3.516 1.00 0.00 H new ATOM 1884 N LEU A 124 6.123 3.351 -1.303 1.00 0.00 N ATOM 1885 CA LEU A 124 5.503 3.784 -2.551 1.00 0.00 C ATOM 1886 C LEU A 124 6.529 3.822 -3.680 1.00 0.00 C ATOM 1887 O LEU A 124 6.202 3.556 -4.837 1.00 0.00 O ATOM 1888 CB LEU A 124 4.851 5.161 -2.371 1.00 0.00 C ATOM 1889 CG LEU A 124 3.927 5.599 -3.514 1.00 0.00 C ATOM 1890 CD1 LEU A 124 2.784 4.606 -3.671 1.00 0.00 C ATOM 1891 CD2 LEU A 124 3.393 6.996 -3.229 1.00 0.00 C ATOM 0 H LEU A 124 6.145 4.064 -0.574 1.00 0.00 H new ATOM 0 HA LEU A 124 4.730 3.064 -2.819 1.00 0.00 H new ATOM 0 HB2 LEU A 124 4.278 5.156 -1.444 1.00 0.00 H new ATOM 0 HB3 LEU A 124 5.638 5.906 -2.255 1.00 0.00 H new ATOM 0 HG LEU A 124 4.489 5.622 -4.448 1.00 0.00 H new ATOM 0 HD11 LEU A 124 2.133 4.926 -4.485 1.00 0.00 H new ATOM 0 HD12 LEU A 124 3.188 3.619 -3.896 1.00 0.00 H new ATOM 0 HD13 LEU A 124 2.211 4.561 -2.745 1.00 0.00 H new ATOM 0 HD21 LEU A 124 2.736 7.307 -4.041 1.00 0.00 H new ATOM 0 HD22 LEU A 124 2.834 6.988 -2.293 1.00 0.00 H new ATOM 0 HD23 LEU A 124 4.226 7.694 -3.148 1.00 0.00 H new ATOM 1903 N ASN A 125 7.768 4.155 -3.338 1.00 0.00 N ATOM 1904 CA ASN A 125 8.859 4.143 -4.307 1.00 0.00 C ATOM 1905 C ASN A 125 9.126 2.727 -4.807 1.00 0.00 C ATOM 1906 O ASN A 125 9.420 2.519 -5.984 1.00 0.00 O ATOM 1907 CB ASN A 125 10.125 4.744 -3.725 1.00 0.00 C ATOM 1908 CG ASN A 125 10.061 6.236 -3.547 1.00 0.00 C ATOM 1909 OD1 ASN A 125 9.211 6.915 -4.134 1.00 0.00 O ATOM 1910 ND2 ASN A 125 11.006 6.758 -2.807 1.00 0.00 N ATOM 0 H ASN A 125 8.043 4.437 -2.397 1.00 0.00 H new ATOM 0 HA ASN A 125 8.552 4.759 -5.152 1.00 0.00 H new ATOM 0 HB2 ASN A 125 10.326 4.280 -2.759 1.00 0.00 H new ATOM 0 HB3 ASN A 125 10.965 4.501 -4.376 1.00 0.00 H new ATOM 0 HD21 ASN A 125 11.065 7.770 -2.694 1.00 0.00 H new ATOM 0 HD22 ASN A 125 11.684 6.153 -2.343 1.00 0.00 H new ATOM 1917 N ASN A 126 9.020 1.757 -3.905 1.00 0.00 N ATOM 1918 CA ASN A 126 9.154 0.353 -4.275 1.00 0.00 C ATOM 1919 C ASN A 126 7.980 -0.096 -5.141 1.00 0.00 C ATOM 1920 O ASN A 126 8.137 -0.927 -6.036 1.00 0.00 O ATOM 1921 CB ASN A 126 9.276 -0.536 -3.051 1.00 0.00 C ATOM 1922 CG ASN A 126 10.661 -0.576 -2.467 1.00 0.00 C ATOM 1923 OD1 ASN A 126 11.619 -1.008 -3.119 1.00 0.00 O ATOM 1924 ND2 ASN A 126 10.757 -0.204 -1.217 1.00 0.00 N ATOM 0 H ASN A 126 8.842 1.917 -2.914 1.00 0.00 H new ATOM 0 HA ASN A 126 10.072 0.255 -4.855 1.00 0.00 H new ATOM 0 HB2 ASN A 126 8.580 -0.186 -2.288 1.00 0.00 H new ATOM 0 HB3 ASN A 126 8.974 -1.549 -3.317 1.00 0.00 H new ATOM 0 HD21 ASN A 126 11.654 -0.263 -0.735 1.00 0.00 H new ATOM 0 HD22 ASN A 126 9.935 0.146 -0.724 1.00 0.00 H new ATOM 1931 N PHE A 127 6.805 0.461 -4.870 1.00 0.00 N ATOM 1932 CA PHE A 127 5.633 0.221 -5.704 1.00 0.00 C ATOM 1933 C PHE A 127 5.884 0.681 -7.138 1.00 0.00 C ATOM 1934 O PHE A 127 5.639 -0.058 -8.091 1.00 0.00 O ATOM 1935 CB PHE A 127 4.409 0.932 -5.125 1.00 0.00 C ATOM 1936 CG PHE A 127 3.173 0.793 -5.967 1.00 0.00 C ATOM 1937 CD1 PHE A 127 2.374 -0.336 -5.870 1.00 0.00 C ATOM 1938 CD2 PHE A 127 2.807 1.790 -6.859 1.00 0.00 C ATOM 1939 CE1 PHE A 127 1.236 -0.466 -6.645 1.00 0.00 C ATOM 1940 CE2 PHE A 127 1.671 1.664 -7.633 1.00 0.00 C ATOM 1941 CZ PHE A 127 0.885 0.534 -7.526 1.00 0.00 C ATOM 0 H PHE A 127 6.639 1.082 -4.078 1.00 0.00 H new ATOM 0 HA PHE A 127 5.440 -0.852 -5.717 1.00 0.00 H new ATOM 0 HB2 PHE A 127 4.206 0.535 -4.130 1.00 0.00 H new ATOM 0 HB3 PHE A 127 4.638 1.991 -5.005 1.00 0.00 H new ATOM 0 HD1 PHE A 127 2.643 -1.123 -5.181 1.00 0.00 H new ATOM 0 HD2 PHE A 127 3.418 2.676 -6.949 1.00 0.00 H new ATOM 0 HE1 PHE A 127 0.623 -1.351 -6.560 1.00 0.00 H new ATOM 0 HE2 PHE A 127 1.397 2.449 -8.322 1.00 0.00 H new ATOM 0 HZ PHE A 127 -0.004 0.434 -8.132 1.00 0.00 H new ATOM 1951 N LYS A 128 6.374 1.908 -7.281 1.00 0.00 N ATOM 1952 CA LYS A 128 6.742 2.436 -8.589 1.00 0.00 C ATOM 1953 C LYS A 128 7.856 1.606 -9.218 1.00 0.00 C ATOM 1954 O LYS A 128 7.837 1.330 -10.418 1.00 0.00 O ATOM 1955 CB LYS A 128 7.174 3.899 -8.475 1.00 0.00 C ATOM 1956 CG LYS A 128 7.595 4.535 -9.793 1.00 0.00 C ATOM 1957 CD LYS A 128 7.955 6.002 -9.610 1.00 0.00 C ATOM 1958 CE LYS A 128 8.426 6.625 -10.915 1.00 0.00 C ATOM 1959 NZ LYS A 128 8.843 8.042 -10.738 1.00 0.00 N ATOM 0 H LYS A 128 6.525 2.555 -6.507 1.00 0.00 H new ATOM 0 HA LYS A 128 5.865 2.378 -9.234 1.00 0.00 H new ATOM 0 HB2 LYS A 128 6.351 4.476 -8.053 1.00 0.00 H new ATOM 0 HB3 LYS A 128 8.004 3.966 -7.772 1.00 0.00 H new ATOM 0 HG2 LYS A 128 8.450 3.997 -10.202 1.00 0.00 H new ATOM 0 HG3 LYS A 128 6.786 4.445 -10.517 1.00 0.00 H new ATOM 0 HD2 LYS A 128 7.088 6.547 -9.237 1.00 0.00 H new ATOM 0 HD3 LYS A 128 8.738 6.095 -8.857 1.00 0.00 H new ATOM 0 HE2 LYS A 128 9.262 6.048 -11.311 1.00 0.00 H new ATOM 0 HE3 LYS A 128 7.624 6.572 -11.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 9.157 8.428 -11.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 8.039 8.599 -10.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 9.625 8.091 -10.054 1.00 0.00 H new ATOM 1973 N ARG A 129 8.826 1.209 -8.400 1.00 0.00 N ATOM 1974 CA ARG A 129 9.900 0.334 -8.855 1.00 0.00 C ATOM 1975 C ARG A 129 9.339 -0.964 -9.426 1.00 0.00 C ATOM 1976 O ARG A 129 9.824 -1.470 -10.438 1.00 0.00 O ATOM 1977 CB ARG A 129 10.927 0.072 -7.765 1.00 0.00 C ATOM 1978 CG ARG A 129 12.033 -0.900 -8.149 1.00 0.00 C ATOM 1979 CD ARG A 129 13.001 -1.187 -7.060 1.00 0.00 C ATOM 1980 NE ARG A 129 12.408 -1.756 -5.861 1.00 0.00 N ATOM 1981 CZ ARG A 129 12.053 -3.048 -5.722 1.00 0.00 C ATOM 1982 NH1 ARG A 129 12.192 -3.899 -6.713 1.00 0.00 N ATOM 1983 NH2 ARG A 129 11.536 -3.433 -4.568 1.00 0.00 N ATOM 0 H ARG A 129 8.890 1.480 -7.419 1.00 0.00 H new ATOM 0 HA ARG A 129 10.425 0.853 -9.657 1.00 0.00 H new ATOM 0 HB2 ARG A 129 11.380 1.021 -7.477 1.00 0.00 H new ATOM 0 HB3 ARG A 129 10.412 -0.315 -6.886 1.00 0.00 H new ATOM 0 HG2 ARG A 129 11.580 -1.837 -8.473 1.00 0.00 H new ATOM 0 HG3 ARG A 129 12.575 -0.496 -9.004 1.00 0.00 H new ATOM 0 HD2 ARG A 129 13.759 -1.874 -7.436 1.00 0.00 H new ATOM 0 HD3 ARG A 129 13.513 -0.263 -6.793 1.00 0.00 H new ATOM 0 HE ARG A 129 12.250 -1.133 -5.069 1.00 0.00 H new ATOM 0 HH11 ARG A 129 12.574 -3.585 -7.605 1.00 0.00 H new ATOM 0 HH12 ARG A 129 11.918 -4.874 -6.590 1.00 0.00 H new ATOM 0 HH21 ARG A 129 11.415 -2.758 -3.813 1.00 0.00 H new ATOM 0 HH22 ARG A 129 11.258 -4.405 -4.433 1.00 0.00 H new ATOM 1997 N HIS A 130 8.313 -1.499 -8.770 1.00 0.00 N ATOM 1998 CA HIS A 130 7.676 -2.731 -9.222 1.00 0.00 C ATOM 1999 C HIS A 130 6.935 -2.509 -10.536 1.00 0.00 C ATOM 2000 O HIS A 130 6.924 -3.376 -11.409 1.00 0.00 O ATOM 2001 CB HIS A 130 6.712 -3.265 -8.159 1.00 0.00 C ATOM 2002 CG HIS A 130 6.308 -4.691 -8.374 1.00 0.00 C ATOM 2003 ND1 HIS A 130 7.214 -5.730 -8.368 1.00 0.00 N ATOM 2004 CD2 HIS A 130 5.096 -5.248 -8.605 1.00 0.00 C ATOM 2005 CE1 HIS A 130 6.575 -6.867 -8.584 1.00 0.00 C ATOM 2006 NE2 HIS A 130 5.291 -6.602 -8.732 1.00 0.00 N ATOM 0 H HIS A 130 7.906 -1.099 -7.925 1.00 0.00 H new ATOM 0 HA HIS A 130 8.459 -3.471 -9.386 1.00 0.00 H new ATOM 0 HB2 HIS A 130 7.179 -3.173 -7.179 1.00 0.00 H new ATOM 0 HB3 HIS A 130 5.818 -2.641 -8.146 1.00 0.00 H new ATOM 0 HD2 HIS A 130 4.153 -4.726 -8.676 1.00 0.00 H new ATOM 0 HE1 HIS A 130 7.027 -7.847 -8.631 1.00 0.00 H new ATOM 0 HE2 HIS A 130 4.561 -7.291 -8.912 1.00 0.00 H new ATOM 2013 N VAL A 131 6.317 -1.340 -10.672 1.00 0.00 N ATOM 2014 CA VAL A 131 5.701 -0.942 -11.931 1.00 0.00 C ATOM 2015 C VAL A 131 6.739 -0.840 -13.044 1.00 0.00 C ATOM 2016 O VAL A 131 6.491 -1.254 -14.176 1.00 0.00 O ATOM 2017 CB VAL A 131 4.967 0.407 -11.801 1.00 0.00 C ATOM 2018 CG1 VAL A 131 4.512 0.900 -13.167 1.00 0.00 C ATOM 2019 CG2 VAL A 131 3.780 0.279 -10.859 1.00 0.00 C ATOM 0 H VAL A 131 6.230 -0.652 -9.924 1.00 0.00 H new ATOM 0 HA VAL A 131 4.976 -1.716 -12.184 1.00 0.00 H new ATOM 0 HB VAL A 131 5.660 1.137 -11.384 1.00 0.00 H new ATOM 0 HG11 VAL A 131 3.996 1.854 -13.056 1.00 0.00 H new ATOM 0 HG12 VAL A 131 5.379 1.030 -13.814 1.00 0.00 H new ATOM 0 HG13 VAL A 131 3.835 0.170 -13.610 1.00 0.00 H new ATOM 0 HG21 VAL A 131 3.274 1.241 -10.779 1.00 0.00 H new ATOM 0 HG22 VAL A 131 3.085 -0.466 -11.248 1.00 0.00 H new ATOM 0 HG23 VAL A 131 4.129 -0.030 -9.874 1.00 0.00 H new ATOM 2029 N GLU A 132 7.902 -0.289 -12.712 1.00 0.00 N ATOM 2030 CA GLU A 132 9.006 -0.205 -13.660 1.00 0.00 C ATOM 2031 C GLU A 132 9.512 -1.597 -14.032 1.00 0.00 C ATOM 2032 O GLU A 132 10.003 -1.815 -15.138 1.00 0.00 O ATOM 2033 CB GLU A 132 10.147 0.636 -13.084 1.00 0.00 C ATOM 2034 CG GLU A 132 9.861 2.129 -13.028 1.00 0.00 C ATOM 2035 CD GLU A 132 11.001 2.881 -12.400 1.00 0.00 C ATOM 2036 OE1 GLU A 132 11.934 2.251 -11.964 1.00 0.00 O ATOM 2037 OE2 GLU A 132 10.994 4.088 -12.455 1.00 0.00 O ATOM 0 H GLU A 132 8.104 0.106 -11.793 1.00 0.00 H new ATOM 0 HA GLU A 132 8.637 0.279 -14.564 1.00 0.00 H new ATOM 0 HB2 GLU A 132 10.370 0.283 -12.077 1.00 0.00 H new ATOM 0 HB3 GLU A 132 11.042 0.472 -13.684 1.00 0.00 H new ATOM 0 HG2 GLU A 132 9.685 2.506 -14.036 1.00 0.00 H new ATOM 0 HG3 GLU A 132 8.949 2.305 -12.458 1.00 0.00 H new ATOM 2044 N SER A 133 9.386 -2.534 -13.097 1.00 0.00 N ATOM 2045 CA SER A 133 9.754 -3.921 -13.354 1.00 0.00 C ATOM 2046 C SER A 133 8.748 -4.587 -14.288 1.00 0.00 C ATOM 2047 O SER A 133 9.009 -5.656 -14.839 1.00 0.00 O ATOM 2048 CB SER A 133 9.853 -4.686 -12.048 1.00 0.00 C ATOM 2049 OG SER A 133 10.877 -4.195 -11.227 1.00 0.00 O ATOM 0 H SER A 133 9.033 -2.358 -12.157 1.00 0.00 H new ATOM 0 HA SER A 133 10.728 -3.933 -13.843 1.00 0.00 H new ATOM 0 HB2 SER A 133 8.902 -4.623 -11.518 1.00 0.00 H new ATOM 0 HB3 SER A 133 10.032 -5.740 -12.258 1.00 0.00 H new ATOM 0 HG SER A 133 10.647 -3.293 -10.922 1.00 0.00 H new ATOM 2055 N HIS A 134 7.597 -3.946 -14.460 1.00 0.00 N ATOM 2056 CA HIS A 134 6.576 -4.441 -15.377 1.00 0.00 C ATOM 2057 C HIS A 134 6.747 -3.823 -16.763 1.00 0.00 C ATOM 2058 O HIS A 134 5.882 -3.966 -17.628 1.00 0.00 O ATOM 2059 CB HIS A 134 5.172 -4.146 -14.839 1.00 0.00 C ATOM 2060 CG HIS A 134 4.856 -4.859 -13.561 1.00 0.00 C ATOM 2061 ND1 HIS A 134 3.762 -4.543 -12.784 1.00 0.00 N ATOM 2062 CD2 HIS A 134 5.489 -5.872 -12.925 1.00 0.00 C ATOM 2063 CE1 HIS A 134 3.736 -5.332 -11.724 1.00 0.00 C ATOM 2064 NE2 HIS A 134 4.773 -6.146 -11.786 1.00 0.00 N ATOM 0 H HIS A 134 7.348 -3.083 -13.977 1.00 0.00 H new ATOM 0 HA HIS A 134 6.697 -5.521 -15.460 1.00 0.00 H new ATOM 0 HB2 HIS A 134 5.071 -3.072 -14.680 1.00 0.00 H new ATOM 0 HB3 HIS A 134 4.437 -4.427 -15.593 1.00 0.00 H new ATOM 0 HD2 HIS A 134 6.389 -6.371 -13.252 1.00 0.00 H new ATOM 0 HE1 HIS A 134 2.993 -5.314 -10.941 1.00 0.00 H new ATOM 0 HE2 HIS A 134 5.005 -6.863 -11.099 1.00 0.00 H new