USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 695 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 60 HIS : no HD1:sc= -8.61! C(o=-9.3!,f=-6.7!) USER MOD Set 1.2: A 64 HIS : no HD1:sc= -0.645 K(o=-9.3,f=-6.7) USER MOD Set 2.1: A 51 MET CE :methyl 171:sc= 0 (180deg=-0.0131) USER MOD Set 2.2: A 80 ASN : amide:sc= -0.906 X(o=-0.91,f=-0.51) USER MOD Set 3.1: A 20 CYS SG : rot 17:sc= -0.693 USER MOD Set 3.2: A 26 THR OG1 : rot 133:sc= 0.0329 USER MOD Set 3.3: A 42 CYS SG : rot 180:sc= -0.0232 USER MOD Set 4.1: A 15 SER OG : rot 180:sc= 1.09 USER MOD Set 4.2: A 17 SER OG : rot -106:sc= 1.28 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -141:sc= 0.0268 (180deg=0) USER MOD Single : A 2 SER OG : rot 43:sc= 0.0477 USER MOD Single : A 5 ASN : amide:sc= -2.33 K(o=-2.3,f=-4!) USER MOD Single : A 9 ASN : amide:sc= -0.301 K(o=-0.3,f=-2.8!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 CYS SG : rot 180:sc= 0.00903 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -0.41 X(o=-0.41,f=-0.42) USER MOD Single : A 43 CYS SG : rot 180:sc= -0.682 USER MOD Single : A 46 CYS SG : rot -160:sc= 0.0169 USER MOD Single : A 52 ASN : amide:sc= -5.25! C(o=-5.3!,f=-10!) USER MOD Single : A 53 MET CE :methyl -143:sc= -1.75 (180deg=-4.26!) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -176:sc= -1.14 (180deg=-1.32) USER MOD Single : A 61 THR OG1 : rot -63:sc= 0.818 USER MOD Single : A 65 ASN : amide:sc=-0.00688 X(o=-0.0069,f=-0.019) USER MOD Single : A 70 HIS : no HD1:sc= -0.0154 K(o=-0.015,f=-0.57) USER MOD Single : A 74 ASN : amide:sc= -1.96! C(o=-2!,f=-3.7!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.272 K(o=-0.27,f=-2.4!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -0.191 X(o=-0.19,f=0.26) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ -163:sc= -0.0843 (180deg=-0.359) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.763 15.435 -7.262 1.00 0.00 N ATOM 2 CA MET A 1 5.541 15.211 -6.510 1.00 0.00 C ATOM 3 C MET A 1 5.689 14.017 -5.565 1.00 0.00 C ATOM 4 O MET A 1 6.667 13.275 -5.645 1.00 0.00 O ATOM 5 CB MET A 1 4.384 14.954 -7.480 1.00 0.00 C ATOM 6 CG MET A 1 3.138 15.739 -7.067 1.00 0.00 C ATOM 7 SD MET A 1 1.791 15.375 -8.181 1.00 0.00 S ATOM 8 CE MET A 1 1.953 16.742 -9.318 1.00 0.00 C ATOM 0 H1 MET A 1 6.934 16.457 -7.350 1.00 0.00 H new ATOM 0 H2 MET A 1 7.562 14.992 -6.766 1.00 0.00 H new ATOM 0 H3 MET A 1 6.669 15.017 -8.210 1.00 0.00 H new ATOM 0 HA MET A 1 5.336 16.100 -5.913 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.680 15.240 -8.489 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.155 13.889 -7.505 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.857 15.480 -6.046 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.351 16.808 -7.078 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.183 16.670 -10.086 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.839 17.681 -8.777 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.937 16.711 -9.787 1.00 0.00 H new ATOM 16 N SER A 2 4.703 13.869 -4.692 1.00 0.00 N ATOM 17 CA SER A 2 4.712 12.778 -3.732 1.00 0.00 C ATOM 18 C SER A 2 3.314 12.165 -3.624 1.00 0.00 C ATOM 19 O SER A 2 2.368 12.836 -3.213 1.00 0.00 O ATOM 20 CB SER A 2 5.189 13.255 -2.359 1.00 0.00 C ATOM 21 OG SER A 2 4.570 14.479 -1.974 1.00 0.00 O ATOM 0 H SER A 2 3.893 14.486 -4.629 1.00 0.00 H new ATOM 0 HA SER A 2 5.410 12.018 -4.085 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.973 12.489 -1.614 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.271 13.386 -2.377 1.00 0.00 H new ATOM 0 HG SER A 2 3.617 14.448 -2.198 1.00 0.00 H new ATOM 26 N GLU A 3 3.228 10.897 -4.000 1.00 0.00 N ATOM 27 CA GLU A 3 1.962 10.186 -3.950 1.00 0.00 C ATOM 28 C GLU A 3 2.175 8.756 -3.450 1.00 0.00 C ATOM 29 O GLU A 3 3.035 8.039 -3.957 1.00 0.00 O ATOM 30 CB GLU A 3 1.276 10.192 -5.317 1.00 0.00 C ATOM 31 CG GLU A 3 1.120 11.620 -5.846 1.00 0.00 C ATOM 32 CD GLU A 3 -0.230 11.801 -6.543 1.00 0.00 C ATOM 33 OE1 GLU A 3 -1.255 11.992 -5.869 1.00 0.00 O ATOM 34 OE2 GLU A 3 -0.193 11.740 -7.830 1.00 0.00 O ATOM 0 H GLU A 3 4.015 10.344 -4.340 1.00 0.00 H new ATOM 0 HA GLU A 3 1.306 10.701 -3.248 1.00 0.00 H new ATOM 0 HB2 GLU A 3 1.859 9.600 -6.023 1.00 0.00 H new ATOM 0 HB3 GLU A 3 0.296 9.720 -5.238 1.00 0.00 H new ATOM 0 HG2 GLU A 3 1.206 12.328 -5.022 1.00 0.00 H new ATOM 0 HG3 GLU A 3 1.927 11.843 -6.544 1.00 0.00 H new ATOM 40 N VAL A 4 1.378 8.384 -2.460 1.00 0.00 N ATOM 41 CA VAL A 4 1.467 7.053 -1.885 1.00 0.00 C ATOM 42 C VAL A 4 0.143 6.318 -2.098 1.00 0.00 C ATOM 43 O VAL A 4 -0.881 6.701 -1.535 1.00 0.00 O ATOM 44 CB VAL A 4 1.869 7.145 -0.411 1.00 0.00 C ATOM 45 CG1 VAL A 4 1.243 6.009 0.399 1.00 0.00 C ATOM 46 CG2 VAL A 4 3.391 7.155 -0.257 1.00 0.00 C ATOM 0 H VAL A 4 0.666 8.982 -2.041 1.00 0.00 H new ATOM 0 HA VAL A 4 2.243 6.474 -2.385 1.00 0.00 H new ATOM 0 HB VAL A 4 1.487 8.087 -0.018 1.00 0.00 H new ATOM 0 HG11 VAL A 4 1.544 6.097 1.443 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.157 6.068 0.329 1.00 0.00 H new ATOM 0 HG13 VAL A 4 1.581 5.051 0.004 1.00 0.00 H new ATOM 0 HG21 VAL A 4 3.649 7.221 0.800 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.805 6.238 -0.675 1.00 0.00 H new ATOM 0 HG23 VAL A 4 3.805 8.014 -0.786 1.00 0.00 H new ATOM 56 N ASN A 5 0.205 5.277 -2.916 1.00 0.00 N ATOM 57 CA ASN A 5 -0.977 4.486 -3.211 1.00 0.00 C ATOM 58 C ASN A 5 -0.641 3.000 -3.065 1.00 0.00 C ATOM 59 O ASN A 5 0.392 2.543 -3.551 1.00 0.00 O ATOM 60 CB ASN A 5 -1.455 4.724 -4.645 1.00 0.00 C ATOM 61 CG ASN A 5 -1.105 3.535 -5.543 1.00 0.00 C ATOM 62 OD1 ASN A 5 -1.793 2.528 -5.582 1.00 0.00 O ATOM 63 ND2 ASN A 5 0.000 3.708 -6.263 1.00 0.00 N ATOM 0 H ASN A 5 1.056 4.963 -3.383 1.00 0.00 H new ATOM 0 HA ASN A 5 -1.762 4.781 -2.515 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -2.533 4.884 -4.651 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -0.996 5.630 -5.040 1.00 0.00 H new ATOM 0 HD21 ASN A 5 0.317 2.973 -6.895 1.00 0.00 H new ATOM 0 HD22 ASN A 5 0.530 4.576 -6.183 1.00 0.00 H new ATOM 69 N ILE A 6 -1.533 2.288 -2.393 1.00 0.00 N ATOM 70 CA ILE A 6 -1.343 0.864 -2.177 1.00 0.00 C ATOM 71 C ILE A 6 -2.702 0.162 -2.215 1.00 0.00 C ATOM 72 O ILE A 6 -3.565 0.425 -1.379 1.00 0.00 O ATOM 73 CB ILE A 6 -0.561 0.617 -0.886 1.00 0.00 C ATOM 74 CG1 ILE A 6 0.883 1.110 -1.018 1.00 0.00 C ATOM 75 CG2 ILE A 6 -0.628 -0.856 -0.477 1.00 0.00 C ATOM 76 CD1 ILE A 6 1.843 0.206 -0.242 1.00 0.00 C ATOM 0 H ILE A 6 -2.389 2.670 -1.991 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.738 0.435 -2.976 1.00 0.00 H new ATOM 0 HB ILE A 6 -1.028 1.194 -0.088 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.169 1.133 -2.070 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.958 2.132 -0.645 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.064 -1.004 0.444 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -1.667 -1.142 -0.316 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -0.201 -1.473 -1.267 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.862 0.578 -0.352 1.00 0.00 H new ATOM 0 HD12 ILE A 6 1.569 0.205 0.813 1.00 0.00 H new ATOM 0 HD13 ILE A 6 1.783 -0.809 -0.634 1.00 0.00 H new ATOM 87 N VAL A 7 -2.850 -0.720 -3.194 1.00 0.00 N ATOM 88 CA VAL A 7 -4.089 -1.461 -3.353 1.00 0.00 C ATOM 89 C VAL A 7 -3.819 -2.950 -3.129 1.00 0.00 C ATOM 90 O VAL A 7 -2.803 -3.476 -3.581 1.00 0.00 O ATOM 91 CB VAL A 7 -4.706 -1.165 -4.721 1.00 0.00 C ATOM 92 CG1 VAL A 7 -3.816 -1.689 -5.849 1.00 0.00 C ATOM 93 CG2 VAL A 7 -6.118 -1.743 -4.823 1.00 0.00 C ATOM 0 H VAL A 7 -2.132 -0.937 -3.885 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.820 -1.146 -2.608 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.779 -0.083 -4.828 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.278 -1.465 -6.811 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.839 -1.208 -5.795 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.696 -2.767 -5.746 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -6.533 -1.518 -5.805 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.080 -2.823 -4.684 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.749 -1.300 -4.052 1.00 0.00 H new ATOM 103 N VAL A 8 -4.747 -3.589 -2.430 1.00 0.00 N ATOM 104 CA VAL A 8 -4.621 -5.007 -2.141 1.00 0.00 C ATOM 105 C VAL A 8 -5.942 -5.709 -2.467 1.00 0.00 C ATOM 106 O VAL A 8 -6.948 -5.488 -1.796 1.00 0.00 O ATOM 107 CB VAL A 8 -4.179 -5.209 -0.690 1.00 0.00 C ATOM 108 CG1 VAL A 8 -4.207 -6.691 -0.309 1.00 0.00 C ATOM 109 CG2 VAL A 8 -2.794 -4.607 -0.450 1.00 0.00 C ATOM 0 H VAL A 8 -5.588 -3.150 -2.056 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.850 -5.457 -2.767 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.887 -4.685 -0.048 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.888 -6.806 0.727 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.220 -7.077 -0.422 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -3.532 -7.247 -0.960 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.504 -4.764 0.589 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.069 -5.089 -1.106 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.820 -3.538 -0.661 1.00 0.00 H new ATOM 119 N ASN A 9 -5.895 -6.540 -3.498 1.00 0.00 N ATOM 120 CA ASN A 9 -7.074 -7.275 -3.921 1.00 0.00 C ATOM 121 C ASN A 9 -6.814 -8.776 -3.777 1.00 0.00 C ATOM 122 O ASN A 9 -5.995 -9.340 -4.501 1.00 0.00 O ATOM 123 CB ASN A 9 -7.404 -6.991 -5.388 1.00 0.00 C ATOM 124 CG ASN A 9 -6.131 -6.942 -6.236 1.00 0.00 C ATOM 125 OD1 ASN A 9 -5.118 -7.542 -5.917 1.00 0.00 O ATOM 126 ND2 ASN A 9 -6.240 -6.195 -7.331 1.00 0.00 N ATOM 0 H ASN A 9 -5.058 -6.720 -4.053 1.00 0.00 H new ATOM 0 HA ASN A 9 -7.909 -6.960 -3.296 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -8.071 -7.764 -5.771 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -7.936 -6.043 -5.468 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -5.446 -6.098 -7.963 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -7.118 -5.719 -7.539 1.00 0.00 H new ATOM 132 N GLY A 10 -7.527 -9.380 -2.837 1.00 0.00 N ATOM 133 CA GLY A 10 -7.382 -10.805 -2.589 1.00 0.00 C ATOM 134 C GLY A 10 -6.220 -11.079 -1.633 1.00 0.00 C ATOM 135 O GLY A 10 -5.483 -12.050 -1.808 1.00 0.00 O ATOM 0 H GLY A 10 -8.206 -8.909 -2.239 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -8.306 -11.200 -2.167 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -7.213 -11.327 -3.531 1.00 0.00 H new ATOM 139 N ARG A 11 -6.090 -10.208 -0.644 1.00 0.00 N ATOM 140 CA ARG A 11 -5.030 -10.346 0.341 1.00 0.00 C ATOM 141 C ARG A 11 -3.751 -10.856 -0.326 1.00 0.00 C ATOM 142 O ARG A 11 -3.240 -11.916 0.032 1.00 0.00 O ATOM 143 CB ARG A 11 -5.435 -11.311 1.457 1.00 0.00 C ATOM 144 CG ARG A 11 -6.374 -10.630 2.455 1.00 0.00 C ATOM 145 CD ARG A 11 -7.726 -11.344 2.509 1.00 0.00 C ATOM 146 NE ARG A 11 -8.369 -11.312 1.176 1.00 0.00 N ATOM 147 CZ ARG A 11 -9.404 -10.506 0.855 1.00 0.00 C ATOM 148 NH1 ARG A 11 -9.922 -9.657 1.768 1.00 0.00 N ATOM 149 NH2 ARG A 11 -9.901 -10.560 -0.367 1.00 0.00 N ATOM 0 H ARG A 11 -6.701 -9.404 -0.503 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.851 -9.363 0.776 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.926 -12.184 1.027 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -4.545 -11.668 1.975 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.919 -10.629 3.446 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.520 -9.588 2.170 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.589 -12.376 2.831 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -8.371 -10.864 3.245 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.008 -11.937 0.455 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -9.532 -9.620 2.710 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -10.704 -9.052 1.516 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.503 -11.203 -1.051 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.683 -9.958 -0.627 1.00 0.00 H new ATOM 159 N GLU A 12 -3.269 -10.078 -1.284 1.00 0.00 N ATOM 160 CA GLU A 12 -2.060 -10.438 -2.004 1.00 0.00 C ATOM 161 C GLU A 12 -0.896 -9.546 -1.566 1.00 0.00 C ATOM 162 O GLU A 12 -1.045 -8.329 -1.471 1.00 0.00 O ATOM 163 CB GLU A 12 -2.276 -10.354 -3.517 1.00 0.00 C ATOM 164 CG GLU A 12 -2.407 -8.900 -3.972 1.00 0.00 C ATOM 165 CD GLU A 12 -1.032 -8.286 -4.246 1.00 0.00 C ATOM 166 OE1 GLU A 12 -0.171 -8.940 -4.854 1.00 0.00 O ATOM 167 OE2 GLU A 12 -0.874 -7.084 -3.806 1.00 0.00 O ATOM 0 H GLU A 12 -3.695 -9.199 -1.578 1.00 0.00 H new ATOM 0 HA GLU A 12 -1.811 -11.472 -1.763 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.441 -10.827 -4.034 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.175 -10.907 -3.791 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.018 -8.851 -4.874 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.922 -8.320 -3.206 1.00 0.00 H new ATOM 173 N ALA A 13 0.236 -10.187 -1.312 1.00 0.00 N ATOM 174 CA ALA A 13 1.423 -9.467 -0.887 1.00 0.00 C ATOM 175 C ALA A 13 2.446 -9.460 -2.025 1.00 0.00 C ATOM 176 O ALA A 13 2.580 -10.445 -2.749 1.00 0.00 O ATOM 177 CB ALA A 13 1.977 -10.103 0.391 1.00 0.00 C ATOM 0 H ALA A 13 0.355 -11.197 -1.393 1.00 0.00 H new ATOM 0 HA ALA A 13 1.180 -8.430 -0.656 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.868 -9.562 0.710 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.223 -10.056 1.177 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.234 -11.144 0.197 1.00 0.00 H new ATOM 183 N GLY A 14 3.140 -8.339 -2.147 1.00 0.00 N ATOM 184 CA GLY A 14 4.146 -8.191 -3.186 1.00 0.00 C ATOM 185 C GLY A 14 5.533 -7.978 -2.578 1.00 0.00 C ATOM 186 O GLY A 14 6.546 -8.150 -3.256 1.00 0.00 O ATOM 0 H GLY A 14 3.026 -7.524 -1.544 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.154 -9.079 -3.818 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.892 -7.346 -3.826 1.00 0.00 H new ATOM 190 N SER A 15 5.537 -7.605 -1.306 1.00 0.00 N ATOM 191 CA SER A 15 6.784 -7.366 -0.599 1.00 0.00 C ATOM 192 C SER A 15 6.787 -8.128 0.728 1.00 0.00 C ATOM 193 O SER A 15 5.794 -8.758 1.088 1.00 0.00 O ATOM 194 CB SER A 15 7.000 -5.872 -0.355 1.00 0.00 C ATOM 195 OG SER A 15 5.878 -5.267 0.283 1.00 0.00 O ATOM 0 H SER A 15 4.696 -7.462 -0.747 1.00 0.00 H new ATOM 0 HA SER A 15 7.604 -7.727 -1.219 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.888 -5.730 0.262 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.189 -5.373 -1.306 1.00 0.00 H new ATOM 0 HG SER A 15 6.056 -4.313 0.423 1.00 0.00 H new ATOM 200 N LYS A 16 7.915 -8.044 1.418 1.00 0.00 N ATOM 201 CA LYS A 16 8.061 -8.717 2.697 1.00 0.00 C ATOM 202 C LYS A 16 7.617 -7.775 3.818 1.00 0.00 C ATOM 203 O LYS A 16 7.919 -8.010 4.987 1.00 0.00 O ATOM 204 CB LYS A 16 9.487 -9.245 2.865 1.00 0.00 C ATOM 205 CG LYS A 16 9.796 -10.330 1.832 1.00 0.00 C ATOM 206 CD LYS A 16 9.097 -11.643 2.189 1.00 0.00 C ATOM 207 CE LYS A 16 9.418 -12.732 1.163 1.00 0.00 C ATOM 208 NZ LYS A 16 8.840 -14.028 1.585 1.00 0.00 N ATOM 0 H LYS A 16 8.736 -7.520 1.115 1.00 0.00 H new ATOM 0 HA LYS A 16 7.414 -9.593 2.742 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.197 -8.425 2.759 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.613 -9.648 3.870 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.474 -9.999 0.845 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.873 -10.490 1.779 1.00 0.00 H new ATOM 0 HD2 LYS A 16 9.411 -11.969 3.181 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.019 -11.485 2.232 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.020 -12.450 0.188 1.00 0.00 H new ATOM 0 HE3 LYS A 16 10.498 -12.828 1.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.067 -14.756 0.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.239 -14.303 2.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.807 -13.937 1.669 1.00 0.00 H new ATOM 217 N SER A 17 6.907 -6.729 3.422 1.00 0.00 N ATOM 218 CA SER A 17 6.419 -5.751 4.378 1.00 0.00 C ATOM 219 C SER A 17 5.669 -6.454 5.511 1.00 0.00 C ATOM 220 O SER A 17 5.492 -5.889 6.589 1.00 0.00 O ATOM 221 CB SER A 17 5.513 -4.722 3.700 1.00 0.00 C ATOM 222 OG SER A 17 4.725 -5.305 2.666 1.00 0.00 O ATOM 0 H SER A 17 6.658 -6.538 2.451 1.00 0.00 H new ATOM 0 HA SER A 17 7.277 -5.222 4.793 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.858 -4.270 4.444 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.123 -3.921 3.283 1.00 0.00 H new ATOM 0 HG SER A 17 5.080 -5.035 1.793 1.00 0.00 H new ATOM 227 N LYS A 18 5.248 -7.679 5.228 1.00 0.00 N ATOM 228 CA LYS A 18 4.521 -8.466 6.208 1.00 0.00 C ATOM 229 C LYS A 18 5.329 -8.528 7.507 1.00 0.00 C ATOM 230 O LYS A 18 4.780 -8.808 8.571 1.00 0.00 O ATOM 231 CB LYS A 18 4.168 -9.841 5.638 1.00 0.00 C ATOM 232 CG LYS A 18 3.463 -9.709 4.287 1.00 0.00 C ATOM 233 CD LYS A 18 1.972 -10.029 4.413 1.00 0.00 C ATOM 234 CE LYS A 18 1.753 -11.516 4.701 1.00 0.00 C ATOM 235 NZ LYS A 18 1.478 -12.251 3.446 1.00 0.00 N ATOM 0 H LYS A 18 5.397 -8.145 4.333 1.00 0.00 H new ATOM 0 HA LYS A 18 3.569 -7.992 6.446 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.075 -10.435 5.523 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.525 -10.375 6.338 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.590 -8.697 3.904 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.924 -10.383 3.565 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.534 -9.432 5.213 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.458 -9.754 3.492 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.635 -11.932 5.188 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.919 -11.640 5.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.332 -13.258 3.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.623 -11.864 2.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.286 -12.148 2.799 1.00 0.00 H new ATOM 244 N GLY A 19 6.620 -8.262 7.376 1.00 0.00 N ATOM 245 CA GLY A 19 7.509 -8.283 8.525 1.00 0.00 C ATOM 246 C GLY A 19 7.535 -6.922 9.224 1.00 0.00 C ATOM 247 O GLY A 19 6.792 -6.696 10.178 1.00 0.00 O ATOM 0 H GLY A 19 7.072 -8.031 6.491 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.183 -9.050 9.227 1.00 0.00 H new ATOM 0 HA3 GLY A 19 8.516 -8.551 8.205 1.00 0.00 H new ATOM 251 N CYS A 20 8.399 -6.053 8.723 1.00 0.00 N ATOM 252 CA CYS A 20 8.533 -4.720 9.287 1.00 0.00 C ATOM 253 C CYS A 20 8.880 -3.752 8.155 1.00 0.00 C ATOM 254 O CYS A 20 9.318 -4.172 7.086 1.00 0.00 O ATOM 255 CB CYS A 20 9.571 -4.683 10.410 1.00 0.00 C ATOM 256 SG CYS A 20 8.873 -5.419 11.933 1.00 0.00 S ATOM 0 H CYS A 20 9.014 -6.245 7.932 1.00 0.00 H new ATOM 0 HA CYS A 20 7.590 -4.419 9.744 1.00 0.00 H new ATOM 0 HB2 CYS A 20 10.464 -5.230 10.109 1.00 0.00 H new ATOM 0 HB3 CYS A 20 9.876 -3.654 10.600 1.00 0.00 H new ATOM 0 HG CYS A 20 7.821 -6.121 11.633 1.00 0.00 H new ATOM 261 N ALA A 21 8.673 -2.472 8.430 1.00 0.00 N ATOM 262 CA ALA A 21 8.960 -1.440 7.448 1.00 0.00 C ATOM 263 C ALA A 21 10.452 -1.464 7.110 1.00 0.00 C ATOM 264 O ALA A 21 10.832 -1.320 5.949 1.00 0.00 O ATOM 265 CB ALA A 21 8.506 -0.083 7.987 1.00 0.00 C ATOM 0 H ALA A 21 8.310 -2.126 9.318 1.00 0.00 H new ATOM 0 HA ALA A 21 8.410 -1.625 6.525 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.721 0.691 7.251 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.434 -0.110 8.183 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.039 0.138 8.912 1.00 0.00 H new ATOM 271 N LEU A 22 11.258 -1.646 8.146 1.00 0.00 N ATOM 272 CA LEU A 22 12.700 -1.690 7.973 1.00 0.00 C ATOM 273 C LEU A 22 13.070 -2.903 7.117 1.00 0.00 C ATOM 274 O LEU A 22 13.677 -2.758 6.057 1.00 0.00 O ATOM 275 CB LEU A 22 13.403 -1.659 9.332 1.00 0.00 C ATOM 276 CG LEU A 22 14.573 -2.631 9.504 1.00 0.00 C ATOM 277 CD1 LEU A 22 15.687 -2.331 8.499 1.00 0.00 C ATOM 278 CD2 LEU A 22 15.084 -2.623 10.946 1.00 0.00 C ATOM 0 H LEU A 22 10.940 -1.765 9.108 1.00 0.00 H new ATOM 0 HA LEU A 22 13.047 -0.805 7.439 1.00 0.00 H new ATOM 0 HB2 LEU A 22 13.768 -0.647 9.507 1.00 0.00 H new ATOM 0 HB3 LEU A 22 12.665 -1.870 10.106 1.00 0.00 H new ATOM 0 HG LEU A 22 14.214 -3.639 9.295 1.00 0.00 H new ATOM 0 HD11 LEU A 22 16.506 -3.036 8.643 1.00 0.00 H new ATOM 0 HD12 LEU A 22 15.298 -2.428 7.485 1.00 0.00 H new ATOM 0 HD13 LEU A 22 16.051 -1.315 8.652 1.00 0.00 H new ATOM 0 HD21 LEU A 22 15.915 -3.322 11.041 1.00 0.00 H new ATOM 0 HD22 LEU A 22 15.422 -1.620 11.207 1.00 0.00 H new ATOM 0 HD23 LEU A 22 14.280 -2.921 11.619 1.00 0.00 H new ATOM 289 N CYS A 23 12.688 -4.073 7.609 1.00 0.00 N ATOM 290 CA CYS A 23 12.972 -5.311 6.902 1.00 0.00 C ATOM 291 C CYS A 23 11.764 -6.239 7.054 1.00 0.00 C ATOM 292 O CYS A 23 10.914 -6.020 7.916 1.00 0.00 O ATOM 293 CB CYS A 23 14.261 -5.966 7.403 1.00 0.00 C ATOM 294 SG CYS A 23 15.003 -6.983 6.075 1.00 0.00 S ATOM 0 H CYS A 23 12.184 -4.190 8.488 1.00 0.00 H new ATOM 0 HA CYS A 23 13.136 -5.100 5.845 1.00 0.00 H new ATOM 0 HB2 CYS A 23 14.967 -5.200 7.723 1.00 0.00 H new ATOM 0 HB3 CYS A 23 14.049 -6.588 8.273 1.00 0.00 H new ATOM 0 HG CYS A 23 16.098 -7.533 6.510 1.00 0.00 H new ATOM 299 N GLY A 24 11.728 -7.253 6.204 1.00 0.00 N ATOM 300 CA GLY A 24 10.640 -8.215 6.232 1.00 0.00 C ATOM 301 C GLY A 24 11.130 -9.586 6.703 1.00 0.00 C ATOM 302 O GLY A 24 11.779 -10.309 5.949 1.00 0.00 O ATOM 0 H GLY A 24 12.435 -7.430 5.491 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.852 -7.859 6.896 1.00 0.00 H new ATOM 0 HA3 GLY A 24 10.203 -8.303 5.237 1.00 0.00 H new ATOM 306 N ALA A 25 10.802 -9.901 7.947 1.00 0.00 N ATOM 307 CA ALA A 25 11.202 -11.172 8.527 1.00 0.00 C ATOM 308 C ALA A 25 9.967 -12.057 8.707 1.00 0.00 C ATOM 309 O ALA A 25 9.954 -13.206 8.270 1.00 0.00 O ATOM 310 CB ALA A 25 11.937 -10.923 9.847 1.00 0.00 C ATOM 0 H ALA A 25 10.264 -9.298 8.570 1.00 0.00 H new ATOM 0 HA ALA A 25 11.890 -11.696 7.864 1.00 0.00 H new ATOM 0 HB1 ALA A 25 12.237 -11.876 10.282 1.00 0.00 H new ATOM 0 HB2 ALA A 25 12.822 -10.314 9.661 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.276 -10.401 10.539 1.00 0.00 H new ATOM 316 N THR A 26 8.957 -11.487 9.349 1.00 0.00 N ATOM 317 CA THR A 26 7.721 -12.210 9.591 1.00 0.00 C ATOM 318 C THR A 26 6.723 -11.953 8.461 1.00 0.00 C ATOM 319 O THR A 26 6.638 -10.840 7.944 1.00 0.00 O ATOM 320 CB THR A 26 7.196 -11.801 10.970 1.00 0.00 C ATOM 321 OG1 THR A 26 8.168 -12.311 11.877 1.00 0.00 O ATOM 322 CG2 THR A 26 5.910 -12.538 11.348 1.00 0.00 C ATOM 0 H THR A 26 8.970 -10.533 9.709 1.00 0.00 H new ATOM 0 HA THR A 26 7.888 -13.287 9.597 1.00 0.00 H new ATOM 0 HB THR A 26 7.017 -10.726 10.986 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.407 -11.616 12.525 1.00 0.00 H new ATOM 0 HG21 THR A 26 5.580 -12.212 12.334 1.00 0.00 H new ATOM 0 HG22 THR A 26 5.135 -12.317 10.614 1.00 0.00 H new ATOM 0 HG23 THR A 26 6.098 -13.612 11.365 1.00 0.00 H new ATOM 330 N TRP A 27 5.993 -13.002 8.108 1.00 0.00 N ATOM 331 CA TRP A 27 5.005 -12.903 7.048 1.00 0.00 C ATOM 332 C TRP A 27 3.786 -13.731 7.461 1.00 0.00 C ATOM 333 O TRP A 27 3.915 -14.906 7.800 1.00 0.00 O ATOM 334 CB TRP A 27 5.596 -13.337 5.706 1.00 0.00 C ATOM 335 CG TRP A 27 5.058 -14.674 5.193 1.00 0.00 C ATOM 336 CD1 TRP A 27 3.844 -14.938 4.691 1.00 0.00 C ATOM 337 CD2 TRP A 27 5.772 -15.928 5.149 1.00 0.00 C ATOM 338 NE1 TRP A 27 3.722 -16.265 4.330 1.00 0.00 N ATOM 339 CE2 TRP A 27 4.932 -16.886 4.619 1.00 0.00 C ATOM 340 CE3 TRP A 27 7.082 -16.244 5.547 1.00 0.00 C ATOM 341 CZ2 TRP A 27 5.310 -18.222 4.436 1.00 0.00 C ATOM 342 CZ3 TRP A 27 7.446 -17.583 5.359 1.00 0.00 C ATOM 343 CH2 TRP A 27 6.612 -18.558 4.825 1.00 0.00 C ATOM 0 H TRP A 27 6.067 -13.924 8.538 1.00 0.00 H new ATOM 0 HA TRP A 27 4.692 -11.869 6.907 1.00 0.00 H new ATOM 0 HB2 TRP A 27 5.391 -12.566 4.964 1.00 0.00 H new ATOM 0 HB3 TRP A 27 6.679 -13.406 5.803 1.00 0.00 H new ATOM 0 HD1 TRP A 27 3.059 -14.204 4.582 1.00 0.00 H new ATOM 0 HE1 TRP A 27 2.897 -16.708 3.926 1.00 0.00 H new ATOM 0 HE3 TRP A 27 7.756 -15.511 5.965 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 4.634 -18.953 4.018 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 8.444 -17.878 5.649 1.00 0.00 H new ATOM 0 HH2 TRP A 27 6.967 -19.571 4.711 1.00 0.00 H new ATOM 353 N GLY A 28 2.630 -13.085 7.417 1.00 0.00 N ATOM 354 CA GLY A 28 1.388 -13.746 7.782 1.00 0.00 C ATOM 355 C GLY A 28 0.184 -12.844 7.505 1.00 0.00 C ATOM 356 O GLY A 28 0.308 -11.620 7.510 1.00 0.00 O ATOM 0 H GLY A 28 2.527 -12.110 7.134 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.288 -14.675 7.220 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.411 -14.013 8.838 1.00 0.00 H new ATOM 360 N ASP A 29 -0.952 -13.483 7.271 1.00 0.00 N ATOM 361 CA ASP A 29 -2.178 -12.753 6.992 1.00 0.00 C ATOM 362 C ASP A 29 -2.813 -12.310 8.312 1.00 0.00 C ATOM 363 O ASP A 29 -3.461 -11.267 8.373 1.00 0.00 O ATOM 364 CB ASP A 29 -3.187 -13.633 6.254 1.00 0.00 C ATOM 365 CG ASP A 29 -2.696 -14.201 4.921 1.00 0.00 C ATOM 366 OD1 ASP A 29 -1.865 -15.121 4.885 1.00 0.00 O ATOM 367 OD2 ASP A 29 -3.211 -13.654 3.872 1.00 0.00 O ATOM 0 H ASP A 29 -1.050 -14.498 7.269 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.926 -11.895 6.369 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.467 -14.462 6.904 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.090 -13.051 6.073 1.00 0.00 H new ATOM 372 N TYR A 30 -2.604 -13.125 9.336 1.00 0.00 N ATOM 373 CA TYR A 30 -3.148 -12.829 10.650 1.00 0.00 C ATOM 374 C TYR A 30 -2.671 -11.463 11.147 1.00 0.00 C ATOM 375 O TYR A 30 -3.239 -10.907 12.086 1.00 0.00 O ATOM 376 CB TYR A 30 -2.609 -13.916 11.583 1.00 0.00 C ATOM 377 CG TYR A 30 -3.696 -14.768 12.240 1.00 0.00 C ATOM 378 CD1 TYR A 30 -4.556 -15.513 11.459 1.00 0.00 C ATOM 379 CD2 TYR A 30 -3.817 -14.791 13.616 1.00 0.00 C ATOM 380 CE1 TYR A 30 -5.579 -16.315 12.079 1.00 0.00 C ATOM 381 CE2 TYR A 30 -4.841 -15.593 14.234 1.00 0.00 C ATOM 382 CZ TYR A 30 -5.671 -16.315 13.435 1.00 0.00 C ATOM 383 OH TYR A 30 -6.638 -17.073 14.020 1.00 0.00 O ATOM 0 H TYR A 30 -2.066 -13.990 9.282 1.00 0.00 H new ATOM 0 HA TYR A 30 -4.237 -12.807 10.619 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -1.943 -14.568 11.018 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.009 -13.446 12.363 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.462 -15.495 10.383 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -3.144 -14.208 14.228 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -6.258 -16.903 11.480 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -4.947 -15.620 15.308 1.00 0.00 H new ATOM 0 HH TYR A 30 -6.585 -16.977 14.994 1.00 0.00 H new ATOM 392 N HIS A 31 -1.632 -10.963 10.496 1.00 0.00 N ATOM 393 CA HIS A 31 -1.071 -9.672 10.859 1.00 0.00 C ATOM 394 C HIS A 31 -1.677 -8.582 9.973 1.00 0.00 C ATOM 395 O HIS A 31 -2.249 -8.876 8.925 1.00 0.00 O ATOM 396 CB HIS A 31 0.456 -9.707 10.798 1.00 0.00 C ATOM 397 CG HIS A 31 1.064 -10.983 11.327 1.00 0.00 C ATOM 398 ND1 HIS A 31 2.102 -11.641 10.689 1.00 0.00 N ATOM 399 CD2 HIS A 31 0.771 -11.716 12.439 1.00 0.00 C ATOM 400 CE1 HIS A 31 2.410 -12.719 11.394 1.00 0.00 C ATOM 401 NE2 HIS A 31 1.583 -12.764 12.478 1.00 0.00 N ATOM 0 H HIS A 31 -1.163 -11.428 9.719 1.00 0.00 H new ATOM 0 HA HIS A 31 -1.329 -9.436 11.891 1.00 0.00 H new ATOM 0 HB2 HIS A 31 0.771 -9.568 9.764 1.00 0.00 H new ATOM 0 HB3 HIS A 31 0.851 -8.866 11.367 1.00 0.00 H new ATOM 0 HD2 HIS A 31 0.007 -11.483 13.165 1.00 0.00 H new ATOM 0 HE1 HIS A 31 3.181 -13.436 11.153 1.00 0.00 H new ATOM 0 HE2 HIS A 31 1.588 -13.485 13.200 1.00 0.00 H new ATOM 408 N ALA A 32 -1.530 -7.345 10.427 1.00 0.00 N ATOM 409 CA ALA A 32 -2.054 -6.210 9.688 1.00 0.00 C ATOM 410 C ALA A 32 -0.908 -5.514 8.950 1.00 0.00 C ATOM 411 O ALA A 32 0.220 -5.481 9.438 1.00 0.00 O ATOM 412 CB ALA A 32 -2.785 -5.270 10.649 1.00 0.00 C ATOM 0 H ALA A 32 -1.055 -7.105 11.297 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.776 -6.538 8.940 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.179 -4.418 10.095 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.607 -5.804 11.126 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.091 -4.918 11.412 1.00 0.00 H new ATOM 418 N ASP A 33 -1.238 -4.974 7.786 1.00 0.00 N ATOM 419 CA ASP A 33 -0.252 -4.280 6.976 1.00 0.00 C ATOM 420 C ASP A 33 -0.565 -2.782 6.971 1.00 0.00 C ATOM 421 O ASP A 33 -1.653 -2.370 7.369 1.00 0.00 O ATOM 422 CB ASP A 33 -0.282 -4.775 5.529 1.00 0.00 C ATOM 423 CG ASP A 33 0.763 -5.840 5.189 1.00 0.00 C ATOM 424 OD1 ASP A 33 0.443 -7.031 5.060 1.00 0.00 O ATOM 425 OD2 ASP A 33 1.968 -5.398 5.052 1.00 0.00 O ATOM 0 H ASP A 33 -2.175 -5.003 7.384 1.00 0.00 H new ATOM 0 HA ASP A 33 0.732 -4.473 7.403 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -1.272 -5.179 5.319 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.139 -3.922 4.866 1.00 0.00 H new ATOM 430 N PHE A 34 0.408 -2.009 6.513 1.00 0.00 N ATOM 431 CA PHE A 34 0.251 -0.565 6.451 1.00 0.00 C ATOM 432 C PHE A 34 0.380 -0.063 5.011 1.00 0.00 C ATOM 433 O PHE A 34 0.590 -0.851 4.090 1.00 0.00 O ATOM 434 CB PHE A 34 1.372 0.044 7.294 1.00 0.00 C ATOM 435 CG PHE A 34 0.947 0.420 8.715 1.00 0.00 C ATOM 436 CD1 PHE A 34 -0.128 -0.187 9.286 1.00 0.00 C ATOM 437 CD2 PHE A 34 1.645 1.360 9.408 1.00 0.00 C ATOM 438 CE1 PHE A 34 -0.522 0.161 10.605 1.00 0.00 C ATOM 439 CE2 PHE A 34 1.250 1.708 10.726 1.00 0.00 C ATOM 440 CZ PHE A 34 0.176 1.101 11.298 1.00 0.00 C ATOM 0 H PHE A 34 1.308 -2.355 6.181 1.00 0.00 H new ATOM 0 HA PHE A 34 -0.734 -0.281 6.820 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.198 -0.665 7.348 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.749 0.934 6.791 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.682 -0.934 8.736 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.499 1.841 8.955 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.376 -0.321 11.058 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.803 2.456 11.275 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.123 1.365 12.302 1.00 0.00 H new ATOM 449 N LEU A 35 0.249 1.247 4.861 1.00 0.00 N ATOM 450 CA LEU A 35 0.349 1.865 3.551 1.00 0.00 C ATOM 451 C LEU A 35 1.825 2.020 3.175 1.00 0.00 C ATOM 452 O LEU A 35 2.175 1.987 1.997 1.00 0.00 O ATOM 453 CB LEU A 35 -0.435 3.179 3.516 1.00 0.00 C ATOM 454 CG LEU A 35 -1.896 3.076 3.073 1.00 0.00 C ATOM 455 CD1 LEU A 35 -2.579 4.445 3.113 1.00 0.00 C ATOM 456 CD2 LEU A 35 -2.006 2.420 1.696 1.00 0.00 C ATOM 0 H LEU A 35 0.074 1.898 5.627 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.108 1.227 2.794 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.408 3.622 4.512 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.079 3.868 2.847 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.423 2.433 3.778 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -3.616 4.344 2.794 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.549 4.837 4.130 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.059 5.131 2.444 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.055 2.359 1.405 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.460 3.016 0.964 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.582 1.417 1.736 1.00 0.00 H new ATOM 467 N GLY A 36 2.649 2.184 4.199 1.00 0.00 N ATOM 468 CA GLY A 36 4.078 2.343 3.991 1.00 0.00 C ATOM 469 C GLY A 36 4.750 0.991 3.746 1.00 0.00 C ATOM 470 O GLY A 36 5.974 0.912 3.640 1.00 0.00 O ATOM 0 H GLY A 36 2.354 2.210 5.175 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.254 3.000 3.140 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.525 2.823 4.862 1.00 0.00 H new ATOM 474 N GLU A 37 3.922 -0.039 3.662 1.00 0.00 N ATOM 475 CA GLU A 37 4.421 -1.384 3.431 1.00 0.00 C ATOM 476 C GLU A 37 5.227 -1.866 4.638 1.00 0.00 C ATOM 477 O GLU A 37 6.422 -2.134 4.526 1.00 0.00 O ATOM 478 CB GLU A 37 5.260 -1.445 2.153 1.00 0.00 C ATOM 479 CG GLU A 37 4.430 -1.037 0.933 1.00 0.00 C ATOM 480 CD GLU A 37 5.280 -0.254 -0.070 1.00 0.00 C ATOM 481 OE1 GLU A 37 5.365 -0.640 -1.245 1.00 0.00 O ATOM 482 OE2 GLU A 37 5.865 0.791 0.409 1.00 0.00 O ATOM 0 H GLU A 37 2.908 0.030 3.750 1.00 0.00 H new ATOM 0 HA GLU A 37 3.568 -2.049 3.299 1.00 0.00 H new ATOM 0 HB2 GLU A 37 6.122 -0.785 2.248 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.645 -2.455 2.014 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.021 -1.926 0.453 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.584 -0.429 1.251 1.00 0.00 H new ATOM 488 N ASP A 38 4.540 -1.963 5.768 1.00 0.00 N ATOM 489 CA ASP A 38 5.177 -2.409 6.995 1.00 0.00 C ATOM 490 C ASP A 38 4.145 -3.122 7.870 1.00 0.00 C ATOM 491 O ASP A 38 2.948 -2.859 7.766 1.00 0.00 O ATOM 492 CB ASP A 38 5.731 -1.223 7.789 1.00 0.00 C ATOM 493 CG ASP A 38 4.675 -0.363 8.487 1.00 0.00 C ATOM 494 OD1 ASP A 38 4.147 0.597 7.904 1.00 0.00 O ATOM 495 OD2 ASP A 38 4.396 -0.714 9.696 1.00 0.00 O ATOM 0 H ASP A 38 3.549 -1.740 5.859 1.00 0.00 H new ATOM 0 HA ASP A 38 5.994 -3.079 6.727 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.425 -1.600 8.540 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.306 -0.589 7.113 1.00 0.00 H new ATOM 500 N LEU A 39 4.646 -4.013 8.712 1.00 0.00 N ATOM 501 CA LEU A 39 3.783 -4.768 9.605 1.00 0.00 C ATOM 502 C LEU A 39 4.212 -4.522 11.053 1.00 0.00 C ATOM 503 O LEU A 39 5.334 -4.846 11.435 1.00 0.00 O ATOM 504 CB LEU A 39 3.767 -6.247 9.212 1.00 0.00 C ATOM 505 CG LEU A 39 2.676 -7.102 9.860 1.00 0.00 C ATOM 506 CD1 LEU A 39 1.645 -7.554 8.824 1.00 0.00 C ATOM 507 CD2 LEU A 39 3.284 -8.283 10.618 1.00 0.00 C ATOM 0 H LEU A 39 5.639 -4.230 8.795 1.00 0.00 H new ATOM 0 HA LEU A 39 2.752 -4.426 9.515 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.658 -6.314 8.130 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.736 -6.679 9.462 1.00 0.00 H new ATOM 0 HG LEU A 39 2.149 -6.488 10.590 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.881 -8.160 9.311 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.179 -6.680 8.369 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.139 -8.145 8.053 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.487 -8.875 11.069 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.852 -8.906 9.927 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.947 -7.911 11.399 1.00 0.00 H new ATOM 518 N PHE A 40 3.294 -3.950 11.819 1.00 0.00 N ATOM 519 CA PHE A 40 3.564 -3.656 13.215 1.00 0.00 C ATOM 520 C PHE A 40 2.953 -4.722 14.128 1.00 0.00 C ATOM 521 O PHE A 40 2.583 -4.434 15.265 1.00 0.00 O ATOM 522 CB PHE A 40 2.912 -2.305 13.522 1.00 0.00 C ATOM 523 CG PHE A 40 1.424 -2.397 13.864 1.00 0.00 C ATOM 524 CD1 PHE A 40 0.504 -2.524 12.870 1.00 0.00 C ATOM 525 CD2 PHE A 40 1.020 -2.351 15.162 1.00 0.00 C ATOM 526 CE1 PHE A 40 -0.877 -2.608 13.187 1.00 0.00 C ATOM 527 CE2 PHE A 40 -0.362 -2.435 15.478 1.00 0.00 C ATOM 528 CZ PHE A 40 -1.281 -2.562 14.485 1.00 0.00 C ATOM 0 H PHE A 40 2.363 -3.683 11.499 1.00 0.00 H new ATOM 0 HA PHE A 40 4.640 -3.638 13.390 1.00 0.00 H new ATOM 0 HB2 PHE A 40 3.438 -1.840 14.356 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.037 -1.649 12.661 1.00 0.00 H new ATOM 0 HD1 PHE A 40 0.824 -2.561 11.839 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.750 -2.251 15.952 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -1.607 -2.708 12.398 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.683 -2.398 16.509 1.00 0.00 H new ATOM 0 HZ PHE A 40 -2.332 -2.626 14.726 1.00 0.00 H new ATOM 537 N PHE A 41 2.869 -5.932 13.596 1.00 0.00 N ATOM 538 CA PHE A 41 2.312 -7.043 14.347 1.00 0.00 C ATOM 539 C PHE A 41 3.404 -8.031 14.759 1.00 0.00 C ATOM 540 O PHE A 41 3.157 -8.945 15.545 1.00 0.00 O ATOM 541 CB PHE A 41 1.318 -7.754 13.426 1.00 0.00 C ATOM 542 CG PHE A 41 -0.111 -7.805 13.970 1.00 0.00 C ATOM 543 CD1 PHE A 41 -0.862 -6.673 14.015 1.00 0.00 C ATOM 544 CD2 PHE A 41 -0.628 -8.984 14.410 1.00 0.00 C ATOM 545 CE1 PHE A 41 -2.189 -6.721 14.520 1.00 0.00 C ATOM 546 CE2 PHE A 41 -1.954 -9.031 14.916 1.00 0.00 C ATOM 547 CZ PHE A 41 -2.707 -7.899 14.960 1.00 0.00 C ATOM 0 H PHE A 41 3.178 -6.167 12.653 1.00 0.00 H new ATOM 0 HA PHE A 41 1.833 -6.674 15.254 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.310 -7.250 12.460 1.00 0.00 H new ATOM 0 HB3 PHE A 41 1.665 -8.772 13.251 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -0.450 -5.737 13.667 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.031 -9.883 14.374 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.786 -5.822 14.554 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.365 -9.966 15.266 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.716 -7.936 15.344 1.00 0.00 H new ATOM 556 N CYS A 42 4.590 -7.816 14.209 1.00 0.00 N ATOM 557 CA CYS A 42 5.722 -8.675 14.509 1.00 0.00 C ATOM 558 C CYS A 42 6.576 -7.991 15.579 1.00 0.00 C ATOM 559 O CYS A 42 6.803 -8.553 16.649 1.00 0.00 O ATOM 560 CB CYS A 42 6.533 -9.000 13.253 1.00 0.00 C ATOM 561 SG CYS A 42 8.305 -9.168 13.679 1.00 0.00 S ATOM 0 H CYS A 42 4.791 -7.058 13.557 1.00 0.00 H new ATOM 0 HA CYS A 42 5.364 -9.632 14.889 1.00 0.00 H new ATOM 0 HB2 CYS A 42 6.169 -9.924 12.804 1.00 0.00 H new ATOM 0 HB3 CYS A 42 6.402 -8.212 12.511 1.00 0.00 H new ATOM 0 HG CYS A 42 8.985 -9.446 12.606 1.00 0.00 H new ATOM 566 N CYS A 43 7.024 -6.788 15.252 1.00 0.00 N ATOM 567 CA CYS A 43 7.847 -6.021 16.171 1.00 0.00 C ATOM 568 C CYS A 43 7.018 -4.846 16.693 1.00 0.00 C ATOM 569 O CYS A 43 6.812 -4.714 17.899 1.00 0.00 O ATOM 570 CB CYS A 43 9.147 -5.555 15.513 1.00 0.00 C ATOM 571 SG CYS A 43 10.586 -6.172 16.460 1.00 0.00 S ATOM 0 H CYS A 43 6.833 -6.326 14.363 1.00 0.00 H new ATOM 0 HA CYS A 43 8.147 -6.652 17.007 1.00 0.00 H new ATOM 0 HB2 CYS A 43 9.195 -5.918 14.486 1.00 0.00 H new ATOM 0 HB3 CYS A 43 9.171 -4.466 15.468 1.00 0.00 H new ATOM 0 HG CYS A 43 11.684 -5.772 15.891 1.00 0.00 H new ATOM 576 N ASP A 44 6.564 -4.023 15.760 1.00 0.00 N ATOM 577 CA ASP A 44 5.762 -2.863 16.109 1.00 0.00 C ATOM 578 C ASP A 44 6.611 -1.889 16.930 1.00 0.00 C ATOM 579 O ASP A 44 6.080 -0.980 17.564 1.00 0.00 O ATOM 580 CB ASP A 44 4.553 -3.265 16.957 1.00 0.00 C ATOM 581 CG ASP A 44 4.597 -2.795 18.412 1.00 0.00 C ATOM 582 OD1 ASP A 44 4.062 -1.730 18.755 1.00 0.00 O ATOM 583 OD2 ASP A 44 5.222 -3.583 19.220 1.00 0.00 O ATOM 0 H ASP A 44 6.737 -4.137 14.761 1.00 0.00 H new ATOM 0 HA ASP A 44 5.417 -2.401 15.184 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.652 -2.867 16.490 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.465 -4.351 16.945 1.00 0.00 H new ATOM 588 N ILE A 45 7.916 -2.115 16.891 1.00 0.00 N ATOM 589 CA ILE A 45 8.844 -1.270 17.623 1.00 0.00 C ATOM 590 C ILE A 45 9.534 -0.314 16.648 1.00 0.00 C ATOM 591 O ILE A 45 9.518 0.900 16.846 1.00 0.00 O ATOM 592 CB ILE A 45 9.816 -2.122 18.440 1.00 0.00 C ATOM 593 CG1 ILE A 45 10.546 -1.274 19.484 1.00 0.00 C ATOM 594 CG2 ILE A 45 10.789 -2.871 17.527 1.00 0.00 C ATOM 595 CD1 ILE A 45 11.147 -2.155 20.582 1.00 0.00 C ATOM 0 H ILE A 45 8.353 -2.871 16.364 1.00 0.00 H new ATOM 0 HA ILE A 45 8.309 -0.656 18.348 1.00 0.00 H new ATOM 0 HB ILE A 45 9.240 -2.872 18.982 1.00 0.00 H new ATOM 0 HG12 ILE A 45 11.336 -0.698 19.002 1.00 0.00 H new ATOM 0 HG13 ILE A 45 9.853 -0.558 19.926 1.00 0.00 H new ATOM 0 HG21 ILE A 45 11.469 -3.469 18.133 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.230 -3.524 16.857 1.00 0.00 H new ATOM 0 HG23 ILE A 45 11.362 -2.154 16.939 1.00 0.00 H new ATOM 0 HD11 ILE A 45 11.660 -1.528 21.311 1.00 0.00 H new ATOM 0 HD12 ILE A 45 10.352 -2.712 21.078 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.858 -2.853 20.140 1.00 0.00 H new ATOM 606 N CYS A 46 10.124 -0.898 15.615 1.00 0.00 N ATOM 607 CA CYS A 46 10.820 -0.113 14.609 1.00 0.00 C ATOM 608 C CYS A 46 9.896 0.042 13.398 1.00 0.00 C ATOM 609 O CYS A 46 10.151 0.865 12.521 1.00 0.00 O ATOM 610 CB CYS A 46 12.160 -0.744 14.226 1.00 0.00 C ATOM 611 SG CYS A 46 11.885 -2.387 13.469 1.00 0.00 S ATOM 0 H CYS A 46 10.134 -1.905 15.453 1.00 0.00 H new ATOM 0 HA CYS A 46 11.059 0.871 15.013 1.00 0.00 H new ATOM 0 HB2 CYS A 46 12.690 -0.097 13.527 1.00 0.00 H new ATOM 0 HB3 CYS A 46 12.791 -0.843 15.110 1.00 0.00 H new ATOM 0 HG CYS A 46 12.981 -3.083 13.533 1.00 0.00 H new ATOM 616 N ALA A 47 8.842 -0.761 13.392 1.00 0.00 N ATOM 617 CA ALA A 47 7.879 -0.723 12.304 1.00 0.00 C ATOM 618 C ALA A 47 6.656 0.087 12.740 1.00 0.00 C ATOM 619 O ALA A 47 6.520 0.428 13.914 1.00 0.00 O ATOM 620 CB ALA A 47 7.516 -2.151 11.893 1.00 0.00 C ATOM 0 H ALA A 47 8.634 -1.441 14.123 1.00 0.00 H new ATOM 0 HA ALA A 47 8.306 -0.231 11.430 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.794 -2.122 11.077 1.00 0.00 H new ATOM 0 HB2 ALA A 47 8.414 -2.674 11.565 1.00 0.00 H new ATOM 0 HB3 ALA A 47 7.081 -2.675 12.744 1.00 0.00 H new ATOM 626 N ALA A 48 5.799 0.370 11.771 1.00 0.00 N ATOM 627 CA ALA A 48 4.591 1.134 12.040 1.00 0.00 C ATOM 628 C ALA A 48 4.947 2.617 12.162 1.00 0.00 C ATOM 629 O ALA A 48 4.761 3.219 13.219 1.00 0.00 O ATOM 630 CB ALA A 48 3.914 0.591 13.299 1.00 0.00 C ATOM 0 H ALA A 48 5.916 0.085 10.799 1.00 0.00 H new ATOM 0 HA ALA A 48 3.881 1.032 11.219 1.00 0.00 H new ATOM 0 HB1 ALA A 48 3.009 1.163 13.501 1.00 0.00 H new ATOM 0 HB2 ALA A 48 3.655 -0.457 13.150 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.595 0.679 14.145 1.00 0.00 H new ATOM 636 N GLU A 49 5.453 3.164 11.066 1.00 0.00 N ATOM 637 CA GLU A 49 5.837 4.564 11.037 1.00 0.00 C ATOM 638 C GLU A 49 4.626 5.440 10.708 1.00 0.00 C ATOM 639 O GLU A 49 3.745 5.029 9.955 1.00 0.00 O ATOM 640 CB GLU A 49 6.972 4.802 10.039 1.00 0.00 C ATOM 641 CG GLU A 49 8.096 5.624 10.672 1.00 0.00 C ATOM 642 CD GLU A 49 8.588 4.973 11.967 1.00 0.00 C ATOM 643 OE1 GLU A 49 9.274 3.940 11.920 1.00 0.00 O ATOM 644 OE2 GLU A 49 8.236 5.579 13.050 1.00 0.00 O ATOM 0 H GLU A 49 5.606 2.662 10.191 1.00 0.00 H new ATOM 0 HA GLU A 49 6.203 4.840 12.026 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.366 3.845 9.696 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.587 5.322 9.162 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.924 5.716 9.969 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.741 6.633 10.880 1.00 0.00 H new ATOM 650 N PHE A 50 4.621 6.631 11.292 1.00 0.00 N ATOM 651 CA PHE A 50 3.532 7.567 11.070 1.00 0.00 C ATOM 652 C PHE A 50 3.707 8.308 9.742 1.00 0.00 C ATOM 653 O PHE A 50 2.895 9.163 9.392 1.00 0.00 O ATOM 654 CB PHE A 50 3.575 8.581 12.215 1.00 0.00 C ATOM 655 CG PHE A 50 3.080 8.030 13.553 1.00 0.00 C ATOM 656 CD1 PHE A 50 1.747 7.898 13.784 1.00 0.00 C ATOM 657 CD2 PHE A 50 3.975 7.671 14.513 1.00 0.00 C ATOM 658 CE1 PHE A 50 1.287 7.386 15.026 1.00 0.00 C ATOM 659 CE2 PHE A 50 3.516 7.158 15.756 1.00 0.00 C ATOM 660 CZ PHE A 50 2.182 7.027 15.986 1.00 0.00 C ATOM 0 H PHE A 50 5.353 6.968 11.917 1.00 0.00 H new ATOM 0 HA PHE A 50 2.583 7.032 11.034 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.599 8.934 12.336 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.970 9.446 11.944 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.037 8.183 13.022 1.00 0.00 H new ATOM 0 HD2 PHE A 50 5.034 7.776 14.330 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.228 7.282 15.209 1.00 0.00 H new ATOM 0 HE2 PHE A 50 4.226 6.872 16.518 1.00 0.00 H new ATOM 0 HZ PHE A 50 1.833 6.638 16.931 1.00 0.00 H new ATOM 669 N MET A 51 4.772 7.951 9.039 1.00 0.00 N ATOM 670 CA MET A 51 5.064 8.571 7.758 1.00 0.00 C ATOM 671 C MET A 51 3.862 8.474 6.815 1.00 0.00 C ATOM 672 O MET A 51 3.714 9.290 5.907 1.00 0.00 O ATOM 673 CB MET A 51 6.270 7.879 7.118 1.00 0.00 C ATOM 674 CG MET A 51 5.892 6.493 6.592 1.00 0.00 C ATOM 675 SD MET A 51 7.247 5.805 5.657 1.00 0.00 S ATOM 676 CE MET A 51 6.553 5.864 4.014 1.00 0.00 C ATOM 0 H MET A 51 5.443 7.241 9.332 1.00 0.00 H new ATOM 0 HA MET A 51 5.286 9.625 7.928 1.00 0.00 H new ATOM 0 HB2 MET A 51 6.653 8.490 6.301 1.00 0.00 H new ATOM 0 HB3 MET A 51 7.072 7.788 7.850 1.00 0.00 H new ATOM 0 HG2 MET A 51 5.642 5.835 7.424 1.00 0.00 H new ATOM 0 HG3 MET A 51 5.004 6.563 5.964 1.00 0.00 H new ATOM 0 HE1 MET A 51 7.325 5.620 3.284 1.00 0.00 H new ATOM 0 HE2 MET A 51 5.739 5.143 3.937 1.00 0.00 H new ATOM 0 HE3 MET A 51 6.170 6.865 3.816 1.00 0.00 H new ATOM 684 N ASN A 52 3.034 7.471 7.065 1.00 0.00 N ATOM 685 CA ASN A 52 1.850 7.258 6.251 1.00 0.00 C ATOM 686 C ASN A 52 0.626 7.816 6.980 1.00 0.00 C ATOM 687 O ASN A 52 0.747 8.354 8.081 1.00 0.00 O ATOM 688 CB ASN A 52 1.612 5.766 6.005 1.00 0.00 C ATOM 689 CG ASN A 52 1.261 5.502 4.539 1.00 0.00 C ATOM 690 OD1 ASN A 52 0.145 5.711 4.094 1.00 0.00 O ATOM 691 ND2 ASN A 52 2.273 5.030 3.817 1.00 0.00 N ATOM 0 H ASN A 52 3.160 6.797 7.820 1.00 0.00 H new ATOM 0 HA ASN A 52 2.003 7.763 5.297 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.504 5.202 6.276 1.00 0.00 H new ATOM 0 HB3 ASN A 52 0.804 5.412 6.646 1.00 0.00 H new ATOM 0 HD21 ASN A 52 2.139 4.820 2.828 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.183 4.878 4.252 1.00 0.00 H new ATOM 697 N MET A 53 -0.523 7.673 6.337 1.00 0.00 N ATOM 698 CA MET A 53 -1.767 8.157 6.911 1.00 0.00 C ATOM 699 C MET A 53 -2.407 7.096 7.810 1.00 0.00 C ATOM 700 O MET A 53 -2.105 5.910 7.687 1.00 0.00 O ATOM 701 CB MET A 53 -2.737 8.527 5.788 1.00 0.00 C ATOM 702 CG MET A 53 -1.991 9.123 4.593 1.00 0.00 C ATOM 703 SD MET A 53 -1.906 7.929 3.269 1.00 0.00 S ATOM 704 CE MET A 53 -1.299 8.970 1.951 1.00 0.00 C ATOM 0 H MET A 53 -0.619 7.229 5.424 1.00 0.00 H new ATOM 0 HA MET A 53 -1.547 9.035 7.518 1.00 0.00 H new ATOM 0 HB2 MET A 53 -3.288 7.641 5.472 1.00 0.00 H new ATOM 0 HB3 MET A 53 -3.470 9.244 6.158 1.00 0.00 H new ATOM 0 HG2 MET A 53 -2.499 10.024 4.249 1.00 0.00 H new ATOM 0 HG3 MET A 53 -0.985 9.419 4.892 1.00 0.00 H new ATOM 0 HE1 MET A 53 -1.766 8.677 1.011 1.00 0.00 H new ATOM 0 HE2 MET A 53 -1.542 10.010 2.168 1.00 0.00 H new ATOM 0 HE3 MET A 53 -0.218 8.859 1.869 1.00 0.00 H new ATOM 712 N MET A 54 -3.278 7.561 8.692 1.00 0.00 N ATOM 713 CA MET A 54 -3.963 6.667 9.611 1.00 0.00 C ATOM 714 C MET A 54 -4.878 5.702 8.856 1.00 0.00 C ATOM 715 O MET A 54 -4.962 4.523 9.198 1.00 0.00 O ATOM 716 CB MET A 54 -4.791 7.488 10.601 1.00 0.00 C ATOM 717 CG MET A 54 -5.039 6.704 11.891 1.00 0.00 C ATOM 718 SD MET A 54 -6.557 5.775 11.757 1.00 0.00 S ATOM 719 CE MET A 54 -6.246 4.497 12.964 1.00 0.00 C ATOM 0 H MET A 54 -3.526 8.546 8.791 1.00 0.00 H new ATOM 0 HA MET A 54 -3.214 6.084 10.147 1.00 0.00 H new ATOM 0 HB2 MET A 54 -4.272 8.418 10.831 1.00 0.00 H new ATOM 0 HB3 MET A 54 -5.744 7.759 10.147 1.00 0.00 H new ATOM 0 HG2 MET A 54 -4.205 6.029 12.082 1.00 0.00 H new ATOM 0 HG3 MET A 54 -5.095 7.388 12.737 1.00 0.00 H new ATOM 0 HE1 MET A 54 -7.102 3.823 13.009 1.00 0.00 H new ATOM 0 HE2 MET A 54 -5.357 3.935 12.678 1.00 0.00 H new ATOM 0 HE3 MET A 54 -6.090 4.951 13.943 1.00 0.00 H new ATOM 727 N ASP A 55 -5.542 6.238 7.842 1.00 0.00 N ATOM 728 CA ASP A 55 -6.449 5.438 7.036 1.00 0.00 C ATOM 729 C ASP A 55 -5.782 4.104 6.697 1.00 0.00 C ATOM 730 O ASP A 55 -6.450 3.073 6.621 1.00 0.00 O ATOM 731 CB ASP A 55 -6.787 6.145 5.722 1.00 0.00 C ATOM 732 CG ASP A 55 -5.659 6.160 4.688 1.00 0.00 C ATOM 733 OD1 ASP A 55 -5.222 5.106 4.204 1.00 0.00 O ATOM 734 OD2 ASP A 55 -5.219 7.333 4.378 1.00 0.00 O ATOM 0 H ASP A 55 -5.470 7.216 7.560 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.363 5.285 7.609 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -7.658 5.662 5.280 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.071 7.174 5.943 1.00 0.00 H new ATOM 739 N GLU A 56 -4.472 4.165 6.503 1.00 0.00 N ATOM 740 CA GLU A 56 -3.708 2.974 6.175 1.00 0.00 C ATOM 741 C GLU A 56 -4.123 1.811 7.077 1.00 0.00 C ATOM 742 O GLU A 56 -4.229 0.674 6.621 1.00 0.00 O ATOM 743 CB GLU A 56 -2.205 3.242 6.280 1.00 0.00 C ATOM 744 CG GLU A 56 -1.715 3.055 7.718 1.00 0.00 C ATOM 745 CD GLU A 56 -0.303 3.616 7.891 1.00 0.00 C ATOM 746 OE1 GLU A 56 -0.057 4.400 8.820 1.00 0.00 O ATOM 747 OE2 GLU A 56 0.557 3.208 7.020 1.00 0.00 O ATOM 0 H GLU A 56 -3.921 5.021 6.567 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.924 2.700 5.142 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.664 2.567 5.617 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.989 4.257 5.947 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.396 3.555 8.406 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.724 1.996 7.974 1.00 0.00 H new ATOM 753 N ALA A 57 -4.348 2.136 8.342 1.00 0.00 N ATOM 754 CA ALA A 57 -4.750 1.132 9.313 1.00 0.00 C ATOM 755 C ALA A 57 -6.081 0.515 8.881 1.00 0.00 C ATOM 756 O ALA A 57 -6.196 -0.705 8.769 1.00 0.00 O ATOM 757 CB ALA A 57 -4.824 1.767 10.703 1.00 0.00 C ATOM 0 H ALA A 57 -4.260 3.080 8.717 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.015 0.328 9.361 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.125 1.014 11.431 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.846 2.163 10.975 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.554 2.577 10.695 1.00 0.00 H new ATOM 763 N PHE A 58 -7.053 1.386 8.651 1.00 0.00 N ATOM 764 CA PHE A 58 -8.372 0.941 8.234 1.00 0.00 C ATOM 765 C PHE A 58 -8.277 -0.027 7.052 1.00 0.00 C ATOM 766 O PHE A 58 -9.065 -0.965 6.949 1.00 0.00 O ATOM 767 CB PHE A 58 -9.145 2.187 7.797 1.00 0.00 C ATOM 768 CG PHE A 58 -10.628 1.932 7.519 1.00 0.00 C ATOM 769 CD1 PHE A 58 -11.401 1.319 8.456 1.00 0.00 C ATOM 770 CD2 PHE A 58 -11.175 2.319 6.335 1.00 0.00 C ATOM 771 CE1 PHE A 58 -12.776 1.082 8.198 1.00 0.00 C ATOM 772 CE2 PHE A 58 -12.551 2.082 6.077 1.00 0.00 C ATOM 773 CZ PHE A 58 -13.322 1.468 7.013 1.00 0.00 C ATOM 0 H PHE A 58 -6.954 2.397 8.745 1.00 0.00 H new ATOM 0 HA PHE A 58 -8.867 0.421 9.055 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -9.057 2.948 8.573 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -8.682 2.593 6.898 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -10.968 1.013 9.397 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -10.562 2.807 5.591 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -13.389 0.595 8.942 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -12.985 2.390 5.137 1.00 0.00 H new ATOM 0 HZ PHE A 58 -14.368 1.286 6.816 1.00 0.00 H new ATOM 782 N LYS A 59 -7.305 0.237 6.191 1.00 0.00 N ATOM 783 CA LYS A 59 -7.096 -0.599 5.021 1.00 0.00 C ATOM 784 C LYS A 59 -7.032 -2.066 5.452 1.00 0.00 C ATOM 785 O LYS A 59 -7.489 -2.950 4.728 1.00 0.00 O ATOM 786 CB LYS A 59 -5.865 -0.132 4.241 1.00 0.00 C ATOM 787 CG LYS A 59 -4.662 -1.033 4.526 1.00 0.00 C ATOM 788 CD LYS A 59 -4.677 -2.270 3.626 1.00 0.00 C ATOM 789 CE LYS A 59 -3.843 -2.042 2.365 1.00 0.00 C ATOM 790 NZ LYS A 59 -4.168 -0.730 1.760 1.00 0.00 N ATOM 0 H LYS A 59 -6.654 1.017 6.280 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.935 -0.506 4.332 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.083 -0.137 3.173 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.626 0.896 4.513 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.739 -0.475 4.367 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.673 -1.340 5.572 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.286 -3.127 4.174 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -5.704 -2.510 3.349 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.782 -2.083 2.611 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.035 -2.838 1.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.644 -0.619 0.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.189 -0.679 1.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -3.900 0.031 2.416 1.00 0.00 H new ATOM 799 N HIS A 60 -6.460 -2.279 6.627 1.00 0.00 N ATOM 800 CA HIS A 60 -6.329 -3.624 7.163 1.00 0.00 C ATOM 801 C HIS A 60 -7.718 -4.220 7.398 1.00 0.00 C ATOM 802 O HIS A 60 -8.029 -5.298 6.894 1.00 0.00 O ATOM 803 CB HIS A 60 -5.463 -3.624 8.424 1.00 0.00 C ATOM 804 CG HIS A 60 -5.513 -4.916 9.203 1.00 0.00 C ATOM 805 ND1 HIS A 60 -6.097 -5.015 10.454 1.00 0.00 N ATOM 806 CD2 HIS A 60 -5.049 -6.161 8.896 1.00 0.00 C ATOM 807 CE1 HIS A 60 -5.982 -6.267 10.872 1.00 0.00 C ATOM 808 NE2 HIS A 60 -5.332 -6.976 9.905 1.00 0.00 N ATOM 0 H HIS A 60 -6.082 -1.543 7.224 1.00 0.00 H new ATOM 0 HA HIS A 60 -5.817 -4.259 6.440 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -4.430 -3.421 8.143 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -5.783 -2.808 9.072 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -4.538 -6.437 7.986 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -6.340 -6.658 11.813 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -5.101 -7.969 9.950 1.00 0.00 H new ATOM 815 N THR A 61 -8.518 -3.492 8.164 1.00 0.00 N ATOM 816 CA THR A 61 -9.867 -3.935 8.473 1.00 0.00 C ATOM 817 C THR A 61 -10.669 -4.134 7.185 1.00 0.00 C ATOM 818 O THR A 61 -11.486 -5.050 7.095 1.00 0.00 O ATOM 819 CB THR A 61 -10.492 -2.916 9.427 1.00 0.00 C ATOM 820 OG1 THR A 61 -10.657 -1.747 8.629 1.00 0.00 O ATOM 821 CG2 THR A 61 -9.528 -2.480 10.532 1.00 0.00 C ATOM 0 H THR A 61 -8.257 -2.598 8.580 1.00 0.00 H new ATOM 0 HA THR A 61 -9.862 -4.905 8.970 1.00 0.00 H new ATOM 0 HB THR A 61 -11.389 -3.343 9.876 1.00 0.00 H new ATOM 0 HG1 THR A 61 -9.780 -1.428 8.330 1.00 0.00 H new ATOM 0 HG21 THR A 61 -10.022 -1.757 11.181 1.00 0.00 H new ATOM 0 HG22 THR A 61 -9.230 -3.349 11.118 1.00 0.00 H new ATOM 0 HG23 THR A 61 -8.645 -2.023 10.085 1.00 0.00 H new ATOM 829 N ALA A 62 -10.411 -3.262 6.223 1.00 0.00 N ATOM 830 CA ALA A 62 -11.098 -3.330 4.945 1.00 0.00 C ATOM 831 C ALA A 62 -10.646 -4.584 4.194 1.00 0.00 C ATOM 832 O ALA A 62 -11.469 -5.419 3.822 1.00 0.00 O ATOM 833 CB ALA A 62 -10.833 -2.048 4.152 1.00 0.00 C ATOM 0 H ALA A 62 -9.734 -2.503 6.303 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.175 -3.404 5.093 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -11.349 -2.100 3.193 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -11.199 -1.190 4.715 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.762 -1.940 3.982 1.00 0.00 H new ATOM 839 N ARG A 63 -9.340 -4.676 3.992 1.00 0.00 N ATOM 840 CA ARG A 63 -8.768 -5.814 3.292 1.00 0.00 C ATOM 841 C ARG A 63 -8.984 -7.096 4.099 1.00 0.00 C ATOM 842 O ARG A 63 -8.642 -8.185 3.643 1.00 0.00 O ATOM 843 CB ARG A 63 -7.271 -5.616 3.050 1.00 0.00 C ATOM 844 CG ARG A 63 -6.486 -6.877 3.416 1.00 0.00 C ATOM 845 CD ARG A 63 -4.979 -6.635 3.310 1.00 0.00 C ATOM 846 NE ARG A 63 -4.308 -7.844 2.783 1.00 0.00 N ATOM 847 CZ ARG A 63 -2.975 -7.950 2.599 1.00 0.00 C ATOM 848 NH1 ARG A 63 -2.157 -6.919 2.898 1.00 0.00 N ATOM 849 NH2 ARG A 63 -2.482 -9.079 2.122 1.00 0.00 N ATOM 0 H ARG A 63 -8.661 -3.981 4.301 1.00 0.00 H new ATOM 0 HA ARG A 63 -9.271 -5.899 2.329 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.098 -5.366 2.003 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.911 -4.774 3.642 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.738 -7.185 4.431 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.774 -7.694 2.754 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -4.784 -5.786 2.655 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.573 -6.382 4.289 1.00 0.00 H new ATOM 0 HE ARG A 63 -4.889 -8.647 2.544 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -2.545 -6.051 3.266 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.151 -7.008 2.756 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -3.106 -9.854 1.899 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -1.477 -9.176 1.977 1.00 0.00 H new ATOM 859 N HIS A 64 -9.548 -6.923 5.285 1.00 0.00 N ATOM 860 CA HIS A 64 -9.813 -8.053 6.160 1.00 0.00 C ATOM 861 C HIS A 64 -11.019 -8.835 5.638 1.00 0.00 C ATOM 862 O HIS A 64 -10.977 -10.061 5.548 1.00 0.00 O ATOM 863 CB HIS A 64 -9.987 -7.589 7.607 1.00 0.00 C ATOM 864 CG HIS A 64 -9.296 -8.469 8.622 1.00 0.00 C ATOM 865 ND1 HIS A 64 -9.879 -9.608 9.148 1.00 0.00 N ATOM 866 CD2 HIS A 64 -8.064 -8.365 9.199 1.00 0.00 C ATOM 867 CE1 HIS A 64 -9.029 -10.157 10.003 1.00 0.00 C ATOM 868 NE2 HIS A 64 -7.906 -9.385 10.034 1.00 0.00 N ATOM 0 H HIS A 64 -9.829 -6.017 5.661 1.00 0.00 H new ATOM 0 HA HIS A 64 -8.958 -8.729 6.157 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -9.603 -6.573 7.701 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -11.051 -7.550 7.840 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -7.341 -7.586 9.009 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -9.196 -11.058 10.575 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -7.080 -9.562 10.605 1.00 0.00 H new ATOM 875 N ASN A 65 -12.066 -8.094 5.308 1.00 0.00 N ATOM 876 CA ASN A 65 -13.283 -8.702 4.798 1.00 0.00 C ATOM 877 C ASN A 65 -13.503 -8.256 3.351 1.00 0.00 C ATOM 878 O ASN A 65 -13.476 -9.075 2.434 1.00 0.00 O ATOM 879 CB ASN A 65 -14.501 -8.270 5.616 1.00 0.00 C ATOM 880 CG ASN A 65 -14.234 -8.416 7.116 1.00 0.00 C ATOM 881 OD1 ASN A 65 -13.685 -9.400 7.582 1.00 0.00 O ATOM 882 ND2 ASN A 65 -14.652 -7.383 7.842 1.00 0.00 N ATOM 0 H ASN A 65 -12.097 -7.077 5.384 1.00 0.00 H new ATOM 0 HA ASN A 65 -13.171 -9.784 4.863 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -14.749 -7.234 5.386 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -15.364 -8.874 5.336 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -14.520 -7.384 8.853 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -15.105 -6.590 7.387 1.00 0.00 H new ATOM 888 N VAL A 66 -13.716 -6.957 3.192 1.00 0.00 N ATOM 889 CA VAL A 66 -13.940 -6.393 1.872 1.00 0.00 C ATOM 890 C VAL A 66 -12.615 -5.869 1.314 1.00 0.00 C ATOM 891 O VAL A 66 -11.547 -6.360 1.676 1.00 0.00 O ATOM 892 CB VAL A 66 -15.026 -5.318 1.941 1.00 0.00 C ATOM 893 CG1 VAL A 66 -16.298 -5.863 2.595 1.00 0.00 C ATOM 894 CG2 VAL A 66 -14.522 -4.075 2.677 1.00 0.00 C ATOM 0 H VAL A 66 -13.738 -6.280 3.955 1.00 0.00 H new ATOM 0 HA VAL A 66 -14.301 -7.159 1.186 1.00 0.00 H new ATOM 0 HB VAL A 66 -15.272 -5.027 0.920 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -17.053 -5.078 2.631 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -16.675 -6.703 2.012 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -16.072 -6.196 3.608 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -15.314 -3.327 2.712 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -14.234 -4.346 3.693 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -13.659 -3.666 2.152 1.00 0.00 H new ATOM 904 N ASP A 67 -12.728 -4.878 0.442 1.00 0.00 N ATOM 905 CA ASP A 67 -11.552 -4.282 -0.171 1.00 0.00 C ATOM 906 C ASP A 67 -11.741 -2.767 -0.258 1.00 0.00 C ATOM 907 O ASP A 67 -12.829 -2.291 -0.580 1.00 0.00 O ATOM 908 CB ASP A 67 -11.339 -4.816 -1.589 1.00 0.00 C ATOM 909 CG ASP A 67 -12.553 -4.702 -2.511 1.00 0.00 C ATOM 910 OD1 ASP A 67 -13.289 -5.677 -2.721 1.00 0.00 O ATOM 911 OD2 ASP A 67 -12.734 -3.537 -3.034 1.00 0.00 O ATOM 0 H ASP A 67 -13.616 -4.472 0.145 1.00 0.00 H new ATOM 0 HA ASP A 67 -10.687 -4.535 0.442 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -10.506 -4.279 -2.042 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -11.046 -5.864 -1.526 1.00 0.00 H new ATOM 916 N GLU A 68 -10.666 -2.050 0.033 1.00 0.00 N ATOM 917 CA GLU A 68 -10.699 -0.599 -0.010 1.00 0.00 C ATOM 918 C GLU A 68 -9.390 -0.053 -0.584 1.00 0.00 C ATOM 919 O GLU A 68 -8.314 -0.565 -0.279 1.00 0.00 O ATOM 920 CB GLU A 68 -10.974 -0.015 1.378 1.00 0.00 C ATOM 921 CG GLU A 68 -12.223 0.867 1.364 1.00 0.00 C ATOM 922 CD GLU A 68 -12.173 1.906 2.486 1.00 0.00 C ATOM 923 OE1 GLU A 68 -13.172 2.597 2.737 1.00 0.00 O ATOM 924 OE2 GLU A 68 -11.045 1.984 3.108 1.00 0.00 O ATOM 0 H GLU A 68 -9.766 -2.448 0.300 1.00 0.00 H new ATOM 0 HA GLU A 68 -11.515 -0.294 -0.665 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.104 -0.824 2.097 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.115 0.570 1.707 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.306 1.370 0.401 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -13.112 0.247 1.477 1.00 0.00 H new ATOM 930 N LEU A 69 -9.525 0.977 -1.407 1.00 0.00 N ATOM 931 CA LEU A 69 -8.366 1.597 -2.026 1.00 0.00 C ATOM 932 C LEU A 69 -8.493 3.118 -1.927 1.00 0.00 C ATOM 933 O LEU A 69 -9.531 3.682 -2.274 1.00 0.00 O ATOM 934 CB LEU A 69 -8.187 1.086 -3.457 1.00 0.00 C ATOM 935 CG LEU A 69 -9.200 1.596 -4.483 1.00 0.00 C ATOM 936 CD1 LEU A 69 -8.994 0.920 -5.840 1.00 0.00 C ATOM 937 CD2 LEU A 69 -10.632 1.429 -3.971 1.00 0.00 C ATOM 0 H LEU A 69 -10.419 1.397 -1.659 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.455 1.318 -1.496 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.188 1.358 -3.796 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.233 -0.003 -3.441 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.032 2.663 -4.626 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.727 1.301 -6.551 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.989 1.135 -6.205 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.118 -0.158 -5.732 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -11.332 1.800 -4.720 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.830 0.374 -3.780 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.756 1.994 -3.047 1.00 0.00 H new ATOM 948 N HIS A 70 -7.423 3.740 -1.454 1.00 0.00 N ATOM 949 CA HIS A 70 -7.402 5.185 -1.307 1.00 0.00 C ATOM 950 C HIS A 70 -6.011 5.716 -1.655 1.00 0.00 C ATOM 951 O HIS A 70 -5.002 5.107 -1.301 1.00 0.00 O ATOM 952 CB HIS A 70 -7.859 5.595 0.096 1.00 0.00 C ATOM 953 CG HIS A 70 -8.397 7.003 0.179 1.00 0.00 C ATOM 954 ND1 HIS A 70 -7.620 8.119 -0.080 1.00 0.00 N ATOM 955 CD2 HIS A 70 -9.641 7.465 0.495 1.00 0.00 C ATOM 956 CE1 HIS A 70 -8.373 9.198 0.076 1.00 0.00 C ATOM 957 NE2 HIS A 70 -9.625 8.790 0.434 1.00 0.00 N ATOM 0 H HIS A 70 -6.564 3.270 -1.168 1.00 0.00 H new ATOM 0 HA HIS A 70 -8.110 5.635 -2.003 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -8.630 4.902 0.433 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.019 5.497 0.784 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -10.495 6.855 0.751 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -8.052 10.221 -0.057 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -10.418 9.403 0.623 1.00 0.00 H new ATOM 964 N ILE A 71 -5.999 6.847 -2.345 1.00 0.00 N ATOM 965 CA ILE A 71 -4.748 7.467 -2.746 1.00 0.00 C ATOM 966 C ILE A 71 -4.816 8.970 -2.465 1.00 0.00 C ATOM 967 O ILE A 71 -5.777 9.634 -2.851 1.00 0.00 O ATOM 968 CB ILE A 71 -4.425 7.128 -4.202 1.00 0.00 C ATOM 969 CG1 ILE A 71 -3.394 8.103 -4.776 1.00 0.00 C ATOM 970 CG2 ILE A 71 -5.697 7.074 -5.050 1.00 0.00 C ATOM 971 CD1 ILE A 71 -2.097 8.069 -3.967 1.00 0.00 C ATOM 0 H ILE A 71 -6.837 7.350 -2.637 1.00 0.00 H new ATOM 0 HA ILE A 71 -3.920 7.069 -2.159 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.979 6.134 -4.229 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.185 7.847 -5.815 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.803 9.114 -4.772 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -5.437 6.831 -6.080 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -6.366 6.310 -4.654 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -6.196 8.043 -5.020 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.382 8.771 -4.396 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.305 8.349 -2.934 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.678 7.063 -3.993 1.00 0.00 H new ATOM 982 N ASP A 72 -3.784 9.462 -1.795 1.00 0.00 N ATOM 983 CA ASP A 72 -3.714 10.873 -1.459 1.00 0.00 C ATOM 984 C ASP A 72 -2.258 11.337 -1.524 1.00 0.00 C ATOM 985 O ASP A 72 -1.354 10.616 -1.106 1.00 0.00 O ATOM 986 CB ASP A 72 -4.227 11.127 -0.040 1.00 0.00 C ATOM 987 CG ASP A 72 -4.917 12.477 0.166 1.00 0.00 C ATOM 988 OD1 ASP A 72 -4.295 13.540 0.022 1.00 0.00 O ATOM 989 OD2 ASP A 72 -6.163 12.409 0.493 1.00 0.00 O ATOM 0 H ASP A 72 -2.989 8.908 -1.476 1.00 0.00 H new ATOM 0 HA ASP A 72 -4.333 11.420 -2.170 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.927 10.334 0.225 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -3.388 11.056 0.652 1.00 0.00 H new ATOM 994 N GLY A 73 -2.076 12.538 -2.053 1.00 0.00 N ATOM 995 CA GLY A 73 -0.745 13.107 -2.179 1.00 0.00 C ATOM 996 C GLY A 73 -0.729 14.570 -1.728 1.00 0.00 C ATOM 997 O GLY A 73 -1.561 15.366 -2.160 1.00 0.00 O ATOM 0 H GLY A 73 -2.829 13.133 -2.399 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -0.041 12.530 -1.579 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.413 13.038 -3.215 1.00 0.00 H new ATOM 1001 N ASN A 74 0.228 14.879 -0.865 1.00 0.00 N ATOM 1002 CA ASN A 74 0.363 16.231 -0.350 1.00 0.00 C ATOM 1003 C ASN A 74 1.849 16.566 -0.195 1.00 0.00 C ATOM 1004 O ASN A 74 2.637 15.724 0.231 1.00 0.00 O ATOM 1005 CB ASN A 74 -0.299 16.367 1.022 1.00 0.00 C ATOM 1006 CG ASN A 74 -1.808 16.576 0.885 1.00 0.00 C ATOM 1007 OD1 ASN A 74 -2.409 16.293 -0.139 1.00 0.00 O ATOM 1008 ND2 ASN A 74 -2.384 17.084 1.970 1.00 0.00 N ATOM 0 H ASN A 74 0.917 14.216 -0.510 1.00 0.00 H new ATOM 0 HA ASN A 74 -0.122 16.910 -1.052 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -0.105 15.472 1.614 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.141 17.207 1.560 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -3.389 17.260 1.979 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -1.821 17.298 2.793 1.00 0.00 H new ATOM 1014 N TYR A 75 2.184 17.798 -0.548 1.00 0.00 N ATOM 1015 CA TYR A 75 3.560 18.255 -0.454 1.00 0.00 C ATOM 1016 C TYR A 75 4.012 18.336 1.007 1.00 0.00 C ATOM 1017 O TYR A 75 5.181 18.596 1.284 1.00 0.00 O ATOM 1018 CB TYR A 75 3.581 19.659 -1.060 1.00 0.00 C ATOM 1019 CG TYR A 75 4.763 19.915 -1.998 1.00 0.00 C ATOM 1020 CD1 TYR A 75 6.044 19.591 -1.596 1.00 0.00 C ATOM 1021 CD2 TYR A 75 4.550 20.470 -3.242 1.00 0.00 C ATOM 1022 CE1 TYR A 75 7.156 19.831 -2.479 1.00 0.00 C ATOM 1023 CE2 TYR A 75 5.662 20.710 -4.124 1.00 0.00 C ATOM 1024 CZ TYR A 75 6.911 20.379 -3.699 1.00 0.00 C ATOM 1025 OH TYR A 75 7.962 20.607 -4.532 1.00 0.00 O ATOM 0 H TYR A 75 1.526 18.494 -0.900 1.00 0.00 H new ATOM 0 HA TYR A 75 4.229 17.567 -0.971 1.00 0.00 H new ATOM 0 HB2 TYR A 75 2.653 19.820 -1.609 1.00 0.00 H new ATOM 0 HB3 TYR A 75 3.606 20.391 -0.253 1.00 0.00 H new ATOM 0 HD1 TYR A 75 6.212 19.158 -0.621 1.00 0.00 H new ATOM 0 HD2 TYR A 75 3.548 20.725 -3.555 1.00 0.00 H new ATOM 0 HE1 TYR A 75 8.163 19.581 -2.179 1.00 0.00 H new ATOM 0 HE2 TYR A 75 5.508 21.143 -5.101 1.00 0.00 H new ATOM 0 HH TYR A 75 7.637 21.000 -5.369 1.00 0.00 H new ATOM 1034 N GLN A 76 3.060 18.108 1.900 1.00 0.00 N ATOM 1035 CA GLN A 76 3.345 18.152 3.324 1.00 0.00 C ATOM 1036 C GLN A 76 3.349 16.738 3.908 1.00 0.00 C ATOM 1037 O GLN A 76 3.727 16.540 5.062 1.00 0.00 O ATOM 1038 CB GLN A 76 2.342 19.045 4.056 1.00 0.00 C ATOM 1039 CG GLN A 76 3.006 19.767 5.231 1.00 0.00 C ATOM 1040 CD GLN A 76 2.401 19.319 6.562 1.00 0.00 C ATOM 1041 OE1 GLN A 76 1.655 18.356 6.643 1.00 0.00 O ATOM 1042 NE2 GLN A 76 2.762 20.067 7.601 1.00 0.00 N ATOM 0 H GLN A 76 2.091 17.892 1.665 1.00 0.00 H new ATOM 0 HA GLN A 76 4.336 18.584 3.464 1.00 0.00 H new ATOM 0 HB2 GLN A 76 1.927 19.777 3.363 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.510 18.442 4.419 1.00 0.00 H new ATOM 0 HG2 GLN A 76 4.077 19.565 5.228 1.00 0.00 H new ATOM 0 HG3 GLN A 76 2.884 20.844 5.116 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.390 20.860 7.465 1.00 0.00 H new ATOM 0 HE22 GLN A 76 2.411 19.848 8.533 1.00 0.00 H new ATOM 1049 N LEU A 77 2.923 15.790 3.085 1.00 0.00 N ATOM 1050 CA LEU A 77 2.872 14.401 3.507 1.00 0.00 C ATOM 1051 C LEU A 77 4.183 14.037 4.206 1.00 0.00 C ATOM 1052 O LEU A 77 4.192 13.741 5.401 1.00 0.00 O ATOM 1053 CB LEU A 77 2.536 13.494 2.321 1.00 0.00 C ATOM 1054 CG LEU A 77 2.010 12.101 2.671 1.00 0.00 C ATOM 1055 CD1 LEU A 77 0.663 11.837 1.994 1.00 0.00 C ATOM 1056 CD2 LEU A 77 3.043 11.024 2.333 1.00 0.00 C ATOM 0 H LEU A 77 2.610 15.957 2.129 1.00 0.00 H new ATOM 0 HA LEU A 77 2.071 14.251 4.231 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.792 13.997 1.703 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.432 13.380 1.711 1.00 0.00 H new ATOM 0 HG LEU A 77 1.842 12.060 3.747 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.312 10.840 2.259 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.063 12.578 2.327 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.780 11.904 0.912 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.644 10.043 2.592 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.266 11.055 1.266 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.956 11.205 2.900 1.00 0.00 H new ATOM 1067 N GLY A 78 5.259 14.070 3.433 1.00 0.00 N ATOM 1068 CA GLY A 78 6.572 13.747 3.965 1.00 0.00 C ATOM 1069 C GLY A 78 7.517 13.292 2.851 1.00 0.00 C ATOM 1070 O GLY A 78 8.403 12.470 3.081 1.00 0.00 O ATOM 0 H GLY A 78 5.248 14.315 2.443 1.00 0.00 H new ATOM 0 HA2 GLY A 78 6.990 14.619 4.468 1.00 0.00 H new ATOM 0 HA3 GLY A 78 6.482 12.960 4.714 1.00 0.00 H new ATOM 1074 N ARG A 79 7.296 13.845 1.667 1.00 0.00 N ATOM 1075 CA ARG A 79 8.117 13.506 0.517 1.00 0.00 C ATOM 1076 C ARG A 79 8.261 11.988 0.397 1.00 0.00 C ATOM 1077 O ARG A 79 9.372 11.473 0.289 1.00 0.00 O ATOM 1078 CB ARG A 79 9.506 14.137 0.628 1.00 0.00 C ATOM 1079 CG ARG A 79 9.746 15.139 -0.503 1.00 0.00 C ATOM 1080 CD ARG A 79 10.222 16.484 0.048 1.00 0.00 C ATOM 1081 NE ARG A 79 11.286 17.038 -0.818 1.00 0.00 N ATOM 1082 CZ ARG A 79 12.313 17.790 -0.368 1.00 0.00 C ATOM 1083 NH1 ARG A 79 12.424 18.085 0.944 1.00 0.00 N ATOM 1084 NH2 ARG A 79 13.208 18.233 -1.231 1.00 0.00 N ATOM 0 H ARG A 79 6.560 14.526 1.479 1.00 0.00 H new ATOM 0 HA ARG A 79 7.622 13.898 -0.372 1.00 0.00 H new ATOM 0 HB2 ARG A 79 9.605 14.639 1.590 1.00 0.00 H new ATOM 0 HB3 ARG A 79 10.267 13.357 0.595 1.00 0.00 H new ATOM 0 HG2 ARG A 79 10.489 14.742 -1.194 1.00 0.00 H new ATOM 0 HG3 ARG A 79 8.826 15.279 -1.070 1.00 0.00 H new ATOM 0 HD2 ARG A 79 9.386 17.181 0.101 1.00 0.00 H new ATOM 0 HD3 ARG A 79 10.597 16.358 1.064 1.00 0.00 H new ATOM 0 HE ARG A 79 11.241 16.839 -1.817 1.00 0.00 H new ATOM 0 HH11 ARG A 79 11.729 17.739 1.605 1.00 0.00 H new ATOM 0 HH12 ARG A 79 13.203 18.654 1.275 1.00 0.00 H new ATOM 0 HH21 ARG A 79 13.118 18.006 -2.221 1.00 0.00 H new ATOM 0 HH22 ARG A 79 13.990 18.802 -0.908 1.00 0.00 H new ATOM 1094 N ASN A 80 7.120 11.314 0.419 1.00 0.00 N ATOM 1095 CA ASN A 80 7.105 9.864 0.314 1.00 0.00 C ATOM 1096 C ASN A 80 6.249 9.453 -0.885 1.00 0.00 C ATOM 1097 O ASN A 80 5.058 9.753 -0.934 1.00 0.00 O ATOM 1098 CB ASN A 80 6.500 9.228 1.567 1.00 0.00 C ATOM 1099 CG ASN A 80 7.541 9.119 2.684 1.00 0.00 C ATOM 1100 OD1 ASN A 80 8.387 8.240 2.695 1.00 0.00 O ATOM 1101 ND2 ASN A 80 7.430 10.058 3.619 1.00 0.00 N ATOM 0 H ASN A 80 6.200 11.745 0.508 1.00 0.00 H new ATOM 0 HA ASN A 80 8.134 9.523 0.197 1.00 0.00 H new ATOM 0 HB2 ASN A 80 5.655 9.824 1.910 1.00 0.00 H new ATOM 0 HB3 ASN A 80 6.114 8.237 1.326 1.00 0.00 H new ATOM 0 HD21 ASN A 80 8.077 10.072 4.407 1.00 0.00 H new ATOM 0 HD22 ASN A 80 6.698 10.765 3.548 1.00 0.00 H new ATOM 1107 N VAL A 81 6.891 8.774 -1.824 1.00 0.00 N ATOM 1108 CA VAL A 81 6.204 8.319 -3.021 1.00 0.00 C ATOM 1109 C VAL A 81 6.304 6.795 -3.113 1.00 0.00 C ATOM 1110 O VAL A 81 7.380 6.254 -3.361 1.00 0.00 O ATOM 1111 CB VAL A 81 6.769 9.031 -4.252 1.00 0.00 C ATOM 1112 CG1 VAL A 81 5.750 9.043 -5.394 1.00 0.00 C ATOM 1113 CG2 VAL A 81 7.221 10.450 -3.905 1.00 0.00 C ATOM 0 H VAL A 81 7.880 8.528 -1.780 1.00 0.00 H new ATOM 0 HA VAL A 81 5.145 8.573 -2.973 1.00 0.00 H new ATOM 0 HB VAL A 81 7.643 8.475 -4.589 1.00 0.00 H new ATOM 0 HG11 VAL A 81 6.176 9.555 -6.257 1.00 0.00 H new ATOM 0 HG12 VAL A 81 5.498 8.018 -5.668 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.849 9.564 -5.072 1.00 0.00 H new ATOM 0 HG21 VAL A 81 7.618 10.934 -4.797 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.371 11.021 -3.530 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.996 10.408 -3.140 1.00 0.00 H new ATOM 1123 N LEU A 82 5.167 6.146 -2.908 1.00 0.00 N ATOM 1124 CA LEU A 82 5.114 4.695 -2.965 1.00 0.00 C ATOM 1125 C LEU A 82 4.045 4.268 -3.974 1.00 0.00 C ATOM 1126 O LEU A 82 2.871 4.599 -3.818 1.00 0.00 O ATOM 1127 CB LEU A 82 4.907 4.111 -1.567 1.00 0.00 C ATOM 1128 CG LEU A 82 5.872 4.603 -0.486 1.00 0.00 C ATOM 1129 CD1 LEU A 82 5.616 3.890 0.844 1.00 0.00 C ATOM 1130 CD2 LEU A 82 7.326 4.458 -0.941 1.00 0.00 C ATOM 0 H LEU A 82 4.276 6.598 -2.702 1.00 0.00 H new ATOM 0 HA LEU A 82 6.064 4.292 -3.316 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.889 4.336 -1.248 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.988 3.026 -1.632 1.00 0.00 H new ATOM 0 HG LEU A 82 5.689 5.665 -0.324 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.315 4.258 1.595 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.595 4.087 1.172 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.755 2.817 0.714 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.991 4.815 -0.154 1.00 0.00 H new ATOM 0 HD22 LEU A 82 7.539 3.409 -1.149 1.00 0.00 H new ATOM 0 HD23 LEU A 82 7.485 5.046 -1.845 1.00 0.00 H new ATOM 1141 N LEU A 83 4.491 3.538 -4.987 1.00 0.00 N ATOM 1142 CA LEU A 83 3.588 3.062 -6.020 1.00 0.00 C ATOM 1143 C LEU A 83 3.525 1.534 -5.972 1.00 0.00 C ATOM 1144 O LEU A 83 4.494 0.858 -6.316 1.00 0.00 O ATOM 1145 CB LEU A 83 3.996 3.618 -7.386 1.00 0.00 C ATOM 1146 CG LEU A 83 2.883 4.276 -8.203 1.00 0.00 C ATOM 1147 CD1 LEU A 83 2.603 5.695 -7.706 1.00 0.00 C ATOM 1148 CD2 LEU A 83 3.208 4.246 -9.697 1.00 0.00 C ATOM 0 H LEU A 83 5.466 3.265 -5.113 1.00 0.00 H new ATOM 0 HA LEU A 83 2.577 3.429 -5.841 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.790 4.350 -7.236 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.419 2.805 -7.975 1.00 0.00 H new ATOM 0 HG LEU A 83 1.969 3.699 -8.061 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.808 6.140 -8.304 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.295 5.660 -6.661 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.507 6.298 -7.798 1.00 0.00 H new ATOM 0 HD21 LEU A 83 2.400 4.720 -10.255 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.138 4.784 -9.878 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.317 3.212 -10.025 1.00 0.00 H new ATOM 1159 N LYS A 84 2.376 1.034 -5.543 1.00 0.00 N ATOM 1160 CA LYS A 84 2.173 -0.401 -5.446 1.00 0.00 C ATOM 1161 C LYS A 84 0.928 -0.792 -6.242 1.00 0.00 C ATOM 1162 O LYS A 84 -0.171 -0.320 -5.954 1.00 0.00 O ATOM 1163 CB LYS A 84 2.129 -0.838 -3.981 1.00 0.00 C ATOM 1164 CG LYS A 84 3.223 -1.864 -3.680 1.00 0.00 C ATOM 1165 CD LYS A 84 2.617 -3.200 -3.241 1.00 0.00 C ATOM 1166 CE LYS A 84 2.381 -3.224 -1.730 1.00 0.00 C ATOM 1167 NZ LYS A 84 2.223 -4.616 -1.253 1.00 0.00 N ATOM 0 H LYS A 84 1.575 1.598 -5.258 1.00 0.00 H new ATOM 0 HA LYS A 84 3.014 -0.935 -5.889 1.00 0.00 H new ATOM 0 HB2 LYS A 84 2.253 0.031 -3.335 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.152 -1.266 -3.755 1.00 0.00 H new ATOM 0 HG2 LYS A 84 3.840 -2.014 -4.566 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.878 -1.483 -2.897 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.674 -3.365 -3.763 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.283 -4.016 -3.522 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.218 -2.750 -1.217 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.490 -2.646 -1.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.064 -4.615 -0.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.410 -5.056 -1.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.085 -5.157 -1.469 1.00 0.00 H new ATOM 1176 N ASN A 85 1.140 -1.650 -7.230 1.00 0.00 N ATOM 1177 CA ASN A 85 0.048 -2.109 -8.070 1.00 0.00 C ATOM 1178 C ASN A 85 -0.154 -3.611 -7.861 1.00 0.00 C ATOM 1179 O ASN A 85 0.736 -4.408 -8.152 1.00 0.00 O ATOM 1180 CB ASN A 85 0.355 -1.875 -9.550 1.00 0.00 C ATOM 1181 CG ASN A 85 1.860 -1.951 -9.817 1.00 0.00 C ATOM 1182 OD1 ASN A 85 2.462 -3.012 -9.822 1.00 0.00 O ATOM 1183 ND2 ASN A 85 2.431 -0.770 -10.036 1.00 0.00 N ATOM 0 H ASN A 85 2.053 -2.039 -7.467 1.00 0.00 H new ATOM 0 HA ASN A 85 -0.846 -1.550 -7.795 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -0.163 -2.619 -10.155 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -0.023 -0.899 -9.853 1.00 0.00 H new ATOM 0 HD21 ASN A 85 3.432 -0.714 -10.223 1.00 0.00 H new ATOM 0 HD22 ASN A 85 1.868 0.080 -10.017 1.00 0.00 H new ATOM 1189 N GLY A 86 -1.332 -3.953 -7.358 1.00 0.00 N ATOM 1190 CA GLY A 86 -1.663 -5.346 -7.107 1.00 0.00 C ATOM 1191 C GLY A 86 -2.814 -5.806 -8.004 1.00 0.00 C ATOM 1192 O GLY A 86 -3.910 -5.253 -7.946 1.00 0.00 O ATOM 0 H GLY A 86 -2.069 -3.290 -7.118 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -0.787 -5.970 -7.285 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -1.939 -5.475 -6.060 1.00 0.00 H new ATOM 1196 N GLU A 87 -2.523 -6.815 -8.811 1.00 0.00 N ATOM 1197 CA GLU A 87 -3.520 -7.358 -9.720 1.00 0.00 C ATOM 1198 C GLU A 87 -3.711 -8.855 -9.466 1.00 0.00 C ATOM 1199 O GLU A 87 -2.768 -9.634 -9.594 1.00 0.00 O ATOM 1200 CB GLU A 87 -3.137 -7.092 -11.177 1.00 0.00 C ATOM 1201 CG GLU A 87 -4.120 -7.768 -12.134 1.00 0.00 C ATOM 1202 CD GLU A 87 -3.379 -8.565 -13.210 1.00 0.00 C ATOM 1203 OE1 GLU A 87 -2.981 -9.714 -12.966 1.00 0.00 O ATOM 1204 OE2 GLU A 87 -3.221 -7.951 -14.332 1.00 0.00 O ATOM 0 H GLU A 87 -1.612 -7.271 -8.855 1.00 0.00 H new ATOM 0 HA GLU A 87 -4.468 -6.854 -9.531 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.123 -6.018 -11.363 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -2.129 -7.461 -11.365 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -4.779 -8.432 -11.575 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -4.751 -7.014 -12.605 1.00 0.00 H new ATOM 1210 N ASP A 88 -4.936 -9.211 -9.112 1.00 0.00 N ATOM 1211 CA ASP A 88 -5.262 -10.601 -8.840 1.00 0.00 C ATOM 1212 C ASP A 88 -6.560 -10.967 -9.563 1.00 0.00 C ATOM 1213 O ASP A 88 -7.623 -10.438 -9.243 1.00 0.00 O ATOM 1214 CB ASP A 88 -5.473 -10.834 -7.343 1.00 0.00 C ATOM 1215 CG ASP A 88 -5.459 -12.302 -6.909 1.00 0.00 C ATOM 1216 OD1 ASP A 88 -6.321 -12.746 -6.136 1.00 0.00 O ATOM 1217 OD2 ASP A 88 -4.502 -13.009 -7.406 1.00 0.00 O ATOM 0 H ASP A 88 -5.715 -8.562 -9.007 1.00 0.00 H new ATOM 0 HA ASP A 88 -4.432 -11.216 -9.187 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -4.696 -10.301 -6.795 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -6.427 -10.394 -7.053 1.00 0.00 H new ATOM 1222 N ARG A 89 -6.430 -11.869 -10.524 1.00 0.00 N ATOM 1223 CA ARG A 89 -7.580 -12.312 -11.295 1.00 0.00 C ATOM 1224 C ARG A 89 -7.441 -13.793 -11.652 1.00 0.00 C ATOM 1225 O ARG A 89 -6.329 -14.313 -11.739 1.00 0.00 O ATOM 1226 CB ARG A 89 -7.728 -11.496 -12.581 1.00 0.00 C ATOM 1227 CG ARG A 89 -8.312 -10.113 -12.288 1.00 0.00 C ATOM 1228 CD ARG A 89 -9.787 -10.214 -11.891 1.00 0.00 C ATOM 1229 NE ARG A 89 -9.999 -9.588 -10.567 1.00 0.00 N ATOM 1230 CZ ARG A 89 -11.176 -9.595 -9.907 1.00 0.00 C ATOM 1231 NH1 ARG A 89 -12.259 -10.198 -10.442 1.00 0.00 N ATOM 1232 NH2 ARG A 89 -11.252 -9.004 -8.728 1.00 0.00 N ATOM 0 H ARG A 89 -5.546 -12.305 -10.787 1.00 0.00 H new ATOM 0 HA ARG A 89 -8.468 -12.165 -10.680 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -6.756 -11.390 -13.062 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -8.374 -12.027 -13.281 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -7.747 -9.638 -11.486 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -8.211 -9.478 -13.168 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -10.408 -9.721 -12.639 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -10.093 -11.260 -11.861 1.00 0.00 H new ATOM 0 HE ARG A 89 -9.206 -9.122 -10.126 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -12.192 -10.653 -11.352 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -13.145 -10.198 -9.936 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -10.429 -8.552 -8.330 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -12.134 -9.000 -8.215 1.00 0.00 H new ATOM 1242 N LEU A 90 -8.585 -14.432 -11.849 1.00 0.00 N ATOM 1243 CA LEU A 90 -8.605 -15.843 -12.195 1.00 0.00 C ATOM 1244 C LEU A 90 -9.747 -16.107 -13.179 1.00 0.00 C ATOM 1245 O LEU A 90 -10.604 -15.248 -13.385 1.00 0.00 O ATOM 1246 CB LEU A 90 -8.669 -16.704 -10.932 1.00 0.00 C ATOM 1247 CG LEU A 90 -7.500 -16.553 -9.957 1.00 0.00 C ATOM 1248 CD1 LEU A 90 -7.766 -15.433 -8.949 1.00 0.00 C ATOM 1249 CD2 LEU A 90 -7.186 -17.882 -9.267 1.00 0.00 C ATOM 0 H LEU A 90 -9.505 -13.998 -11.775 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.680 -16.125 -12.698 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.591 -16.468 -10.402 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.733 -17.750 -11.232 1.00 0.00 H new ATOM 0 HG LEU A 90 -6.616 -16.269 -10.527 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.919 -15.348 -8.268 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.902 -14.491 -9.480 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.667 -15.662 -8.380 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.351 -17.747 -8.579 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -8.062 -18.220 -8.713 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.921 -18.628 -10.017 1.00 0.00 H new ATOM 1260 N ARG A 91 -9.722 -17.297 -13.760 1.00 0.00 N ATOM 1261 CA ARG A 91 -10.746 -17.685 -14.716 1.00 0.00 C ATOM 1262 C ARG A 91 -12.118 -17.717 -14.041 1.00 0.00 C ATOM 1263 O ARG A 91 -13.146 -17.690 -14.716 1.00 0.00 O ATOM 1264 CB ARG A 91 -10.446 -19.060 -15.315 1.00 0.00 C ATOM 1265 CG ARG A 91 -10.974 -20.177 -14.411 1.00 0.00 C ATOM 1266 CD ARG A 91 -10.095 -21.425 -14.512 1.00 0.00 C ATOM 1267 NE ARG A 91 -9.988 -21.857 -15.923 1.00 0.00 N ATOM 1268 CZ ARG A 91 -9.582 -23.084 -16.311 1.00 0.00 C ATOM 1269 NH1 ARG A 91 -9.239 -24.014 -15.394 1.00 0.00 N ATOM 1270 NH2 ARG A 91 -9.523 -23.362 -17.600 1.00 0.00 N ATOM 0 H ARG A 91 -9.009 -18.006 -13.588 1.00 0.00 H new ATOM 0 HA ARG A 91 -10.750 -16.946 -15.517 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -10.903 -19.139 -16.302 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -9.371 -19.175 -15.451 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -11.003 -19.831 -13.378 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -11.997 -20.425 -14.693 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -9.103 -21.215 -14.112 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -10.519 -22.228 -13.909 1.00 0.00 H new ATOM 0 HE ARG A 91 -10.237 -21.185 -16.649 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -9.286 -23.791 -14.400 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -8.933 -24.939 -15.696 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -9.782 -22.654 -18.287 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -9.218 -24.285 -17.909 1.00 0.00 H new ATOM 1280 N PHE A 92 -12.090 -17.772 -12.718 1.00 0.00 N ATOM 1281 CA PHE A 92 -13.320 -17.808 -11.945 1.00 0.00 C ATOM 1282 C PHE A 92 -14.177 -16.571 -12.220 1.00 0.00 C ATOM 1283 O PHE A 92 -15.404 -16.645 -12.198 1.00 0.00 O ATOM 1284 CB PHE A 92 -12.919 -17.818 -10.467 1.00 0.00 C ATOM 1285 CG PHE A 92 -13.801 -18.710 -9.590 1.00 0.00 C ATOM 1286 CD1 PHE A 92 -15.155 -18.614 -9.667 1.00 0.00 C ATOM 1287 CD2 PHE A 92 -13.229 -19.597 -8.733 1.00 0.00 C ATOM 1288 CE1 PHE A 92 -15.973 -19.441 -8.853 1.00 0.00 C ATOM 1289 CE2 PHE A 92 -14.047 -20.424 -7.918 1.00 0.00 C ATOM 1290 CZ PHE A 92 -15.402 -20.329 -7.995 1.00 0.00 C ATOM 0 H PHE A 92 -11.235 -17.793 -12.162 1.00 0.00 H new ATOM 0 HA PHE A 92 -13.903 -18.688 -12.215 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -11.885 -18.152 -10.384 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -12.956 -16.798 -10.084 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -15.608 -17.908 -10.348 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -12.153 -19.673 -8.672 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -17.049 -19.365 -8.915 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -13.593 -21.129 -7.237 1.00 0.00 H new ATOM 0 HZ PHE A 92 -16.024 -20.958 -7.375 1.00 0.00 H new ATOM 1299 N TYR A 93 -13.496 -15.463 -12.470 1.00 0.00 N ATOM 1300 CA TYR A 93 -14.179 -14.211 -12.749 1.00 0.00 C ATOM 1301 C TYR A 93 -14.305 -13.979 -14.255 1.00 0.00 C ATOM 1302 O TYR A 93 -13.439 -14.390 -15.026 1.00 0.00 O ATOM 1303 CB TYR A 93 -13.304 -13.110 -12.147 1.00 0.00 C ATOM 1304 CG TYR A 93 -13.135 -13.207 -10.630 1.00 0.00 C ATOM 1305 CD1 TYR A 93 -14.203 -13.583 -9.840 1.00 0.00 C ATOM 1306 CD2 TYR A 93 -11.916 -12.921 -10.050 1.00 0.00 C ATOM 1307 CE1 TYR A 93 -14.045 -13.675 -8.412 1.00 0.00 C ATOM 1308 CE2 TYR A 93 -11.757 -13.012 -8.622 1.00 0.00 C ATOM 1309 CZ TYR A 93 -12.830 -13.385 -7.874 1.00 0.00 C ATOM 1310 OH TYR A 93 -12.681 -13.472 -6.525 1.00 0.00 O ATOM 0 H TYR A 93 -12.478 -15.406 -12.485 1.00 0.00 H new ATOM 0 HA TYR A 93 -15.185 -14.221 -12.330 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -12.320 -13.146 -12.615 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -13.738 -12.141 -12.392 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -15.157 -13.808 -10.293 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -11.080 -12.628 -10.668 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -14.872 -13.968 -7.782 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -10.809 -12.789 -8.156 1.00 0.00 H new ATOM 0 HH TYR A 93 -11.761 -13.238 -6.282 1.00 0.00 H new ATOM 1319 N VAL A 94 -15.393 -13.322 -14.632 1.00 0.00 N ATOM 1320 CA VAL A 94 -15.644 -13.030 -16.032 1.00 0.00 C ATOM 1321 C VAL A 94 -15.346 -11.554 -16.303 1.00 0.00 C ATOM 1322 O VAL A 94 -14.870 -11.200 -17.382 1.00 0.00 O ATOM 1323 CB VAL A 94 -17.074 -13.429 -16.402 1.00 0.00 C ATOM 1324 CG1 VAL A 94 -17.436 -12.936 -17.803 1.00 0.00 C ATOM 1325 CG2 VAL A 94 -17.268 -14.942 -16.286 1.00 0.00 C ATOM 0 H VAL A 94 -16.111 -12.984 -13.991 1.00 0.00 H new ATOM 0 HA VAL A 94 -14.982 -13.617 -16.669 1.00 0.00 H new ATOM 0 HB VAL A 94 -17.749 -12.949 -15.694 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -18.457 -13.233 -18.041 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -17.357 -11.849 -17.838 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -16.752 -13.373 -18.531 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -18.293 -15.199 -16.554 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -16.578 -15.450 -16.960 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -17.072 -15.256 -15.261 1.00 0.00 H new ATOM 1335 N LYS A 95 -15.639 -10.731 -15.306 1.00 0.00 N ATOM 1336 CA LYS A 95 -15.410 -9.302 -15.424 1.00 0.00 C ATOM 1337 C LYS A 95 -13.934 -9.051 -15.739 1.00 0.00 C ATOM 1338 O LYS A 95 -13.609 -8.258 -16.622 1.00 0.00 O ATOM 1339 CB LYS A 95 -15.903 -8.575 -14.171 1.00 0.00 C ATOM 1340 CG LYS A 95 -15.753 -7.060 -14.321 1.00 0.00 C ATOM 1341 CD LYS A 95 -15.251 -6.427 -13.023 1.00 0.00 C ATOM 1342 CE LYS A 95 -15.711 -4.973 -12.907 1.00 0.00 C ATOM 1343 NZ LYS A 95 -14.844 -4.227 -11.968 1.00 0.00 N ATOM 0 H LYS A 95 -16.033 -11.028 -14.413 1.00 0.00 H new ATOM 0 HA LYS A 95 -15.988 -8.891 -16.252 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -16.948 -8.824 -13.989 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -15.339 -8.916 -13.303 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -15.057 -6.838 -15.130 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -16.712 -6.622 -14.596 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -15.619 -6.997 -12.170 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -14.162 -6.471 -12.990 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -15.687 -4.499 -13.888 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -16.744 -4.939 -12.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -15.171 -3.242 -11.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -14.888 -4.670 -11.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -13.863 -4.244 -12.313 1.00 0.00 H new ATOM 1352 N PHE A 96 -13.078 -9.744 -15.001 1.00 0.00 N ATOM 1353 CA PHE A 96 -11.644 -9.606 -15.191 1.00 0.00 C ATOM 1354 C PHE A 96 -11.203 -8.151 -15.013 1.00 0.00 C ATOM 1355 O PHE A 96 -10.724 -7.524 -15.956 1.00 0.00 O ATOM 1356 CB PHE A 96 -11.338 -10.047 -16.624 1.00 0.00 C ATOM 1357 CG PHE A 96 -11.009 -11.536 -16.760 1.00 0.00 C ATOM 1358 CD1 PHE A 96 -9.964 -12.067 -16.071 1.00 0.00 C ATOM 1359 CD2 PHE A 96 -11.763 -12.327 -17.569 1.00 0.00 C ATOM 1360 CE1 PHE A 96 -9.659 -13.448 -16.197 1.00 0.00 C ATOM 1361 CE2 PHE A 96 -11.458 -13.708 -17.695 1.00 0.00 C ATOM 1362 CZ PHE A 96 -10.412 -14.239 -17.007 1.00 0.00 C ATOM 0 H PHE A 96 -13.350 -10.402 -14.271 1.00 0.00 H new ATOM 0 HA PHE A 96 -11.112 -10.211 -14.456 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -12.196 -9.816 -17.255 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -10.498 -9.464 -17.001 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -9.366 -11.438 -15.428 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -12.593 -11.905 -18.115 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -8.829 -13.870 -15.650 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -12.057 -14.337 -18.337 1.00 0.00 H new ATOM 0 HZ PHE A 96 -10.179 -15.289 -17.104 1.00 0.00 H new ATOM 1371 N GLY A 97 -11.384 -7.656 -13.797 1.00 0.00 N ATOM 1372 CA GLY A 97 -11.012 -6.287 -13.483 1.00 0.00 C ATOM 1373 C GLY A 97 -9.558 -6.208 -13.013 1.00 0.00 C ATOM 1374 O GLY A 97 -9.219 -6.717 -11.945 1.00 0.00 O ATOM 0 H GLY A 97 -11.783 -8.179 -13.018 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -11.148 -5.658 -14.363 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -11.670 -5.896 -12.707 1.00 0.00 H new ATOM 1378 N PRO A 98 -8.716 -5.551 -13.854 1.00 0.00 N ATOM 1379 CA PRO A 98 -7.307 -5.398 -13.536 1.00 0.00 C ATOM 1380 C PRO A 98 -7.102 -4.342 -12.449 1.00 0.00 C ATOM 1381 O PRO A 98 -7.422 -3.171 -12.648 1.00 0.00 O ATOM 1382 CB PRO A 98 -6.643 -5.033 -14.853 1.00 0.00 C ATOM 1383 CG PRO A 98 -7.758 -4.540 -15.760 1.00 0.00 C ATOM 1384 CD PRO A 98 -9.083 -4.937 -15.127 1.00 0.00 C ATOM 0 HA PRO A 98 -6.868 -6.306 -13.123 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -5.887 -4.261 -14.708 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -6.138 -5.896 -15.288 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -7.702 -3.458 -15.881 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -7.663 -4.977 -16.754 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -9.726 -4.070 -14.978 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -9.631 -5.635 -15.760 1.00 0.00 H new ATOM 1389 N GLY A 99 -6.570 -4.793 -11.322 1.00 0.00 N ATOM 1390 CA GLY A 99 -6.318 -3.901 -10.204 1.00 0.00 C ATOM 1391 C GLY A 99 -5.078 -3.040 -10.457 1.00 0.00 C ATOM 1392 O GLY A 99 -3.985 -3.369 -9.999 1.00 0.00 O ATOM 0 H GLY A 99 -6.307 -5.765 -11.160 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -7.184 -3.259 -10.044 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -6.181 -4.484 -9.293 1.00 0.00 H new ATOM 1396 N ALA A 100 -5.291 -1.953 -11.185 1.00 0.00 N ATOM 1397 CA ALA A 100 -4.204 -1.043 -11.505 1.00 0.00 C ATOM 1398 C ALA A 100 -4.498 0.329 -10.896 1.00 0.00 C ATOM 1399 O ALA A 100 -5.547 0.529 -10.285 1.00 0.00 O ATOM 1400 CB ALA A 100 -4.021 -0.980 -13.022 1.00 0.00 C ATOM 0 H ALA A 100 -6.199 -1.682 -11.562 1.00 0.00 H new ATOM 0 HA ALA A 100 -3.267 -1.399 -11.078 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -3.206 -0.297 -13.262 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -3.786 -1.974 -13.402 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.941 -0.623 -13.485 1.00 0.00 H new ATOM 1406 N VAL A 101 -3.553 1.239 -11.083 1.00 0.00 N ATOM 1407 CA VAL A 101 -3.698 2.587 -10.560 1.00 0.00 C ATOM 1408 C VAL A 101 -4.946 3.234 -11.166 1.00 0.00 C ATOM 1409 O VAL A 101 -5.713 3.888 -10.463 1.00 0.00 O ATOM 1410 CB VAL A 101 -2.422 3.389 -10.819 1.00 0.00 C ATOM 1411 CG1 VAL A 101 -2.596 4.850 -10.397 1.00 0.00 C ATOM 1412 CG2 VAL A 101 -1.222 2.754 -10.115 1.00 0.00 C ATOM 0 H VAL A 101 -2.684 1.069 -11.589 1.00 0.00 H new ATOM 0 HA VAL A 101 -3.837 2.564 -9.479 1.00 0.00 H new ATOM 0 HB VAL A 101 -2.228 3.371 -11.892 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.674 5.397 -10.592 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -3.411 5.298 -10.965 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.827 4.896 -9.333 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.328 3.344 -10.316 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -1.404 2.725 -9.041 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -1.078 1.739 -10.486 1.00 0.00 H new ATOM 1422 N ILE A 102 -5.107 3.028 -12.464 1.00 0.00 N ATOM 1423 CA ILE A 102 -6.248 3.583 -13.174 1.00 0.00 C ATOM 1424 C ILE A 102 -7.534 3.205 -12.437 1.00 0.00 C ATOM 1425 O ILE A 102 -8.484 3.985 -12.399 1.00 0.00 O ATOM 1426 CB ILE A 102 -6.228 3.150 -14.641 1.00 0.00 C ATOM 1427 CG1 ILE A 102 -6.816 1.747 -14.805 1.00 0.00 C ATOM 1428 CG2 ILE A 102 -4.819 3.253 -15.225 1.00 0.00 C ATOM 1429 CD1 ILE A 102 -7.038 1.414 -16.283 1.00 0.00 C ATOM 0 H ILE A 102 -4.467 2.485 -13.043 1.00 0.00 H new ATOM 0 HA ILE A 102 -6.197 4.672 -13.187 1.00 0.00 H new ATOM 0 HB ILE A 102 -6.860 3.833 -15.208 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -6.144 1.013 -14.360 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -7.762 1.680 -14.267 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -4.834 2.939 -16.269 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -4.473 4.285 -15.161 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -4.144 2.609 -14.662 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -7.456 0.411 -16.371 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -7.729 2.135 -16.719 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -6.086 1.458 -16.813 1.00 0.00 H new ATOM 1440 N LYS A 103 -7.523 2.008 -11.870 1.00 0.00 N ATOM 1441 CA LYS A 103 -8.677 1.516 -11.136 1.00 0.00 C ATOM 1442 C LYS A 103 -8.901 2.390 -9.901 1.00 0.00 C ATOM 1443 O LYS A 103 -9.989 2.930 -9.707 1.00 0.00 O ATOM 1444 CB LYS A 103 -8.515 0.029 -10.817 1.00 0.00 C ATOM 1445 CG LYS A 103 -9.712 -0.775 -11.329 1.00 0.00 C ATOM 1446 CD LYS A 103 -9.889 -0.593 -12.838 1.00 0.00 C ATOM 1447 CE LYS A 103 -10.177 -1.932 -13.522 1.00 0.00 C ATOM 1448 NZ LYS A 103 -10.841 -1.714 -14.826 1.00 0.00 N ATOM 0 H LYS A 103 -6.733 1.364 -11.904 1.00 0.00 H new ATOM 0 HA LYS A 103 -9.577 1.590 -11.746 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -7.599 -0.347 -11.272 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -8.415 -0.107 -9.740 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -9.570 -1.831 -11.101 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -10.617 -0.456 -10.812 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -10.707 0.101 -13.031 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -8.988 -0.150 -13.263 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -9.246 -2.480 -13.668 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -10.811 -2.545 -12.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -11.284 -2.600 -15.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -11.570 -0.979 -14.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -10.136 -1.410 -15.528 1.00 0.00 H new ATOM 1457 N GLU A 104 -7.853 2.503 -9.098 1.00 0.00 N ATOM 1458 CA GLU A 104 -7.921 3.302 -7.886 1.00 0.00 C ATOM 1459 C GLU A 104 -8.129 4.777 -8.234 1.00 0.00 C ATOM 1460 O GLU A 104 -8.861 5.485 -7.545 1.00 0.00 O ATOM 1461 CB GLU A 104 -6.666 3.112 -7.032 1.00 0.00 C ATOM 1462 CG GLU A 104 -5.632 4.201 -7.326 1.00 0.00 C ATOM 1463 CD GLU A 104 -4.248 3.795 -6.815 1.00 0.00 C ATOM 1464 OE1 GLU A 104 -3.369 4.655 -6.657 1.00 0.00 O ATOM 1465 OE2 GLU A 104 -4.102 2.535 -6.579 1.00 0.00 O ATOM 0 H GLU A 104 -6.952 2.054 -9.263 1.00 0.00 H new ATOM 0 HA GLU A 104 -8.774 2.963 -7.299 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.934 3.136 -5.976 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -6.233 2.131 -7.229 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -5.588 4.385 -8.399 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -5.938 5.135 -6.855 1.00 0.00 H new ATOM 1471 N PHE A 105 -7.471 5.198 -9.305 1.00 0.00 N ATOM 1472 CA PHE A 105 -7.574 6.576 -9.754 1.00 0.00 C ATOM 1473 C PHE A 105 -9.028 7.050 -9.741 1.00 0.00 C ATOM 1474 O PHE A 105 -9.304 8.213 -9.452 1.00 0.00 O ATOM 1475 CB PHE A 105 -7.049 6.620 -11.190 1.00 0.00 C ATOM 1476 CG PHE A 105 -7.594 7.786 -12.017 1.00 0.00 C ATOM 1477 CD1 PHE A 105 -8.893 7.784 -12.420 1.00 0.00 C ATOM 1478 CD2 PHE A 105 -6.780 8.823 -12.348 1.00 0.00 C ATOM 1479 CE1 PHE A 105 -9.399 8.867 -13.188 1.00 0.00 C ATOM 1480 CE2 PHE A 105 -7.286 9.906 -13.116 1.00 0.00 C ATOM 1481 CZ PHE A 105 -8.584 9.904 -13.519 1.00 0.00 C ATOM 0 H PHE A 105 -6.864 4.608 -9.875 1.00 0.00 H new ATOM 0 HA PHE A 105 -7.002 7.226 -9.092 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -5.961 6.682 -11.166 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -7.304 5.685 -11.688 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -9.539 6.960 -12.156 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -5.749 8.824 -12.027 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -10.430 8.867 -13.509 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -6.640 10.730 -13.379 1.00 0.00 H new ATOM 0 HZ PHE A 105 -8.969 10.727 -14.103 1.00 0.00 H new ATOM 1490 N LYS A 106 -9.922 6.123 -10.057 1.00 0.00 N ATOM 1491 CA LYS A 106 -11.342 6.431 -10.086 1.00 0.00 C ATOM 1492 C LYS A 106 -11.797 6.847 -8.686 1.00 0.00 C ATOM 1493 O LYS A 106 -12.662 7.711 -8.542 1.00 0.00 O ATOM 1494 CB LYS A 106 -12.133 5.257 -10.666 1.00 0.00 C ATOM 1495 CG LYS A 106 -11.689 4.950 -12.097 1.00 0.00 C ATOM 1496 CD LYS A 106 -12.324 3.653 -12.603 1.00 0.00 C ATOM 1497 CE LYS A 106 -13.208 3.020 -11.526 1.00 0.00 C ATOM 1498 NZ LYS A 106 -13.969 1.880 -12.085 1.00 0.00 N ATOM 0 H LYS A 106 -9.690 5.159 -10.295 1.00 0.00 H new ATOM 0 HA LYS A 106 -11.536 7.274 -10.749 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.993 4.375 -10.041 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -13.198 5.490 -10.654 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -11.967 5.775 -12.753 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -10.603 4.866 -12.134 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -12.919 3.858 -13.493 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -11.543 2.952 -12.896 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -12.591 2.680 -10.694 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -13.897 3.765 -11.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -14.564 1.462 -11.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -14.572 2.214 -12.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -13.307 1.163 -12.443 1.00 0.00 H new ATOM 1507 N ILE A 107 -11.195 6.214 -7.690 1.00 0.00 N ATOM 1508 CA ILE A 107 -11.528 6.509 -6.306 1.00 0.00 C ATOM 1509 C ILE A 107 -11.689 8.021 -6.135 1.00 0.00 C ATOM 1510 O ILE A 107 -12.524 8.475 -5.355 1.00 0.00 O ATOM 1511 CB ILE A 107 -10.494 5.890 -5.363 1.00 0.00 C ATOM 1512 CG1 ILE A 107 -9.186 6.683 -5.387 1.00 0.00 C ATOM 1513 CG2 ILE A 107 -10.274 4.411 -5.686 1.00 0.00 C ATOM 1514 CD1 ILE A 107 -9.056 7.563 -4.142 1.00 0.00 C ATOM 0 H ILE A 107 -10.479 5.498 -7.813 1.00 0.00 H new ATOM 0 HA ILE A 107 -12.482 6.055 -6.039 1.00 0.00 H new ATOM 0 HB ILE A 107 -10.884 5.943 -4.346 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -8.341 5.996 -5.441 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -9.150 7.305 -6.282 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -9.535 3.995 -5.001 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -11.214 3.871 -5.576 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -9.916 4.312 -6.711 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -8.118 8.116 -4.184 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -9.889 8.265 -4.104 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -9.068 6.936 -3.250 1.00 0.00 H new ATOM 1525 N THR A 108 -10.876 8.758 -6.878 1.00 0.00 N ATOM 1526 CA THR A 108 -10.918 10.209 -6.818 1.00 0.00 C ATOM 1527 C THR A 108 -10.313 10.812 -8.088 1.00 0.00 C ATOM 1528 O THR A 108 -10.949 11.626 -8.755 1.00 0.00 O ATOM 1529 CB THR A 108 -10.206 10.650 -5.537 1.00 0.00 C ATOM 1530 OG1 THR A 108 -10.508 12.039 -5.433 1.00 0.00 O ATOM 1531 CG2 THR A 108 -8.682 10.609 -5.669 1.00 0.00 C ATOM 0 H THR A 108 -10.185 8.377 -7.524 1.00 0.00 H new ATOM 0 HA THR A 108 -11.944 10.574 -6.779 1.00 0.00 H new ATOM 0 HB THR A 108 -10.516 10.009 -4.711 1.00 0.00 H new ATOM 0 HG1 THR A 108 -10.086 12.406 -4.628 1.00 0.00 H new ATOM 0 HG21 THR A 108 -8.227 10.931 -4.732 1.00 0.00 H new ATOM 0 HG22 THR A 108 -8.364 9.592 -5.896 1.00 0.00 H new ATOM 0 HG23 THR A 108 -8.368 11.275 -6.473 1.00 0.00 H new ATOM 1539 N ASP A 109 -9.092 10.391 -8.381 1.00 0.00 N ATOM 1540 CA ASP A 109 -8.395 10.879 -9.559 1.00 0.00 C ATOM 1541 C ASP A 109 -9.252 10.619 -10.799 1.00 0.00 C ATOM 1542 O ASP A 109 -9.564 11.545 -11.547 1.00 0.00 O ATOM 1543 CB ASP A 109 -7.059 10.156 -9.748 1.00 0.00 C ATOM 1544 CG ASP A 109 -6.176 10.094 -8.500 1.00 0.00 C ATOM 1545 OD1 ASP A 109 -6.578 9.552 -7.459 1.00 0.00 O ATOM 1546 OD2 ASP A 109 -5.013 10.638 -8.628 1.00 0.00 O ATOM 0 H ASP A 109 -8.567 9.717 -7.823 1.00 0.00 H new ATOM 0 HA ASP A 109 -8.213 11.945 -9.424 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -7.258 9.139 -10.085 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -6.504 10.653 -10.544 1.00 0.00 H new TER 1551 ASP A 109