USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 574 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 NoAdj-H: A 98 HIS HD1 : A 98 HIS ND1 : A 300 ZNZN :(H bumps) USER MOD NoAdj-H: A 101 HIS HD1 : A 101 HIS ND1 : A 200 ZNZN :(H bumps) USER MOD Single : A 62 SER OG : rot 25:sc= 0.144! USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 30:sc= 0.474 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -121:sc= 0 (180deg=-1.48) USER MOD Single : A 73 ASN : amide:sc= -0.993 X(o=-0.99,f=-1) USER MOD Single : A 75 HIS : no HD1:sc= -0.777 K(o=-0.78,f=-0.048) USER MOD Single : A 86 LYS NZ :NH3+ -115:sc= 0.0579 (180deg=0) USER MOD Single : A 94 CYS SG : rot 180:sc= -0.397 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 ASN : amide:sc= -0.059 K(o=-0.059,f=-1.7!) USER MOD Single : A 120 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 124 GLN : amide:sc= -0.12 X(o=-0.12,f=0) USER MOD Single : A 127 GLN : amide:sc= -1.66 K(o=-1.7,f=-6.8!) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 61 -10.340 -22.840 -9.585 1.00 0.00 N ATOM 2 CA GLY A 61 -9.962 -23.620 -8.421 1.00 0.00 C ATOM 3 C GLY A 61 -10.684 -23.173 -7.164 1.00 0.00 C ATOM 4 O GLY A 61 -10.074 -22.603 -6.260 1.00 0.00 O ATOM 0 HA2 GLY A 61 -10.179 -24.672 -8.606 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -8.886 -23.539 -8.267 1.00 0.00 H new ATOM 8 N SER A 62 -11.986 -23.432 -7.109 1.00 0.00 N ATOM 9 CA SER A 62 -12.793 -23.047 -5.957 1.00 0.00 C ATOM 10 C SER A 62 -13.553 -24.248 -5.401 1.00 0.00 C ATOM 11 O SER A 62 -14.281 -24.925 -6.126 1.00 0.00 O ATOM 12 CB SER A 62 -13.777 -21.941 -6.342 1.00 0.00 C ATOM 13 OG SER A 62 -14.869 -22.463 -7.078 1.00 0.00 O ATOM 0 H SER A 62 -12.505 -23.907 -7.848 1.00 0.00 H new ATOM 0 HA SER A 62 -12.122 -22.673 -5.184 1.00 0.00 H new ATOM 0 HB2 SER A 62 -14.144 -21.447 -5.442 1.00 0.00 H new ATOM 0 HB3 SER A 62 -13.264 -21.184 -6.935 1.00 0.00 H new ATOM 0 HG SER A 62 -14.989 -23.410 -6.857 1.00 0.00 H new ATOM 19 N SER A 63 -13.378 -24.505 -4.108 1.00 0.00 N ATOM 20 CA SER A 63 -14.043 -25.625 -3.455 1.00 0.00 C ATOM 21 C SER A 63 -14.304 -25.319 -1.983 1.00 0.00 C ATOM 22 O SER A 63 -13.436 -24.800 -1.282 1.00 0.00 O ATOM 23 CB SER A 63 -13.196 -26.893 -3.581 1.00 0.00 C ATOM 24 OG SER A 63 -11.896 -26.693 -3.052 1.00 0.00 O ATOM 0 H SER A 63 -12.781 -23.952 -3.493 1.00 0.00 H new ATOM 0 HA SER A 63 -15.001 -25.785 -3.951 1.00 0.00 H new ATOM 0 HB2 SER A 63 -13.684 -27.714 -3.055 1.00 0.00 H new ATOM 0 HB3 SER A 63 -13.125 -27.184 -4.629 1.00 0.00 H new ATOM 0 HG SER A 63 -11.375 -27.518 -3.143 1.00 0.00 H new ATOM 30 N GLY A 64 -15.508 -25.644 -1.521 1.00 0.00 N ATOM 31 CA GLY A 64 -15.863 -25.396 -0.136 1.00 0.00 C ATOM 32 C GLY A 64 -16.026 -23.920 0.165 1.00 0.00 C ATOM 33 O GLY A 64 -15.191 -23.323 0.846 1.00 0.00 O ATOM 0 H GLY A 64 -16.244 -26.075 -2.081 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -16.792 -25.916 0.096 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -15.093 -25.813 0.513 1.00 0.00 H new ATOM 37 N SER A 65 -17.102 -23.329 -0.343 1.00 0.00 N ATOM 38 CA SER A 65 -17.369 -21.911 -0.129 1.00 0.00 C ATOM 39 C SER A 65 -18.858 -21.611 -0.270 1.00 0.00 C ATOM 40 O SER A 65 -19.613 -22.408 -0.826 1.00 0.00 O ATOM 41 CB SER A 65 -16.570 -21.065 -1.122 1.00 0.00 C ATOM 42 OG SER A 65 -15.272 -20.786 -0.625 1.00 0.00 O ATOM 0 H SER A 65 -17.804 -23.810 -0.906 1.00 0.00 H new ATOM 0 HA SER A 65 -17.060 -21.657 0.885 1.00 0.00 H new ATOM 0 HB2 SER A 65 -16.493 -21.591 -2.074 1.00 0.00 H new ATOM 0 HB3 SER A 65 -17.097 -20.131 -1.316 1.00 0.00 H new ATOM 0 HG SER A 65 -14.980 -21.518 -0.043 1.00 0.00 H new ATOM 48 N SER A 66 -19.273 -20.455 0.237 1.00 0.00 N ATOM 49 CA SER A 66 -20.672 -20.049 0.172 1.00 0.00 C ATOM 50 C SER A 66 -21.227 -20.238 -1.237 1.00 0.00 C ATOM 51 O SER A 66 -20.596 -19.856 -2.221 1.00 0.00 O ATOM 52 CB SER A 66 -20.822 -18.588 0.599 1.00 0.00 C ATOM 53 OG SER A 66 -22.188 -18.236 0.740 1.00 0.00 O ATOM 0 H SER A 66 -18.660 -19.782 0.698 1.00 0.00 H new ATOM 0 HA SER A 66 -21.240 -20.680 0.856 1.00 0.00 H new ATOM 0 HB2 SER A 66 -20.302 -18.427 1.543 1.00 0.00 H new ATOM 0 HB3 SER A 66 -20.350 -17.940 -0.139 1.00 0.00 H new ATOM 0 HG SER A 66 -22.257 -17.298 1.015 1.00 0.00 H new ATOM 59 N GLY A 67 -22.413 -20.833 -1.324 1.00 0.00 N ATOM 60 CA GLY A 67 -23.034 -21.063 -2.615 1.00 0.00 C ATOM 61 C GLY A 67 -23.720 -19.825 -3.158 1.00 0.00 C ATOM 62 O GLY A 67 -23.636 -19.532 -4.351 1.00 0.00 O ATOM 0 H GLY A 67 -22.954 -21.160 -0.524 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -22.277 -21.396 -3.325 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -23.763 -21.869 -2.526 1.00 0.00 H new ATOM 66 N LYS A 68 -24.402 -19.096 -2.281 1.00 0.00 N ATOM 67 CA LYS A 68 -25.106 -17.882 -2.678 1.00 0.00 C ATOM 68 C LYS A 68 -24.174 -16.676 -2.640 1.00 0.00 C ATOM 69 O LYS A 68 -24.089 -15.976 -1.631 1.00 0.00 O ATOM 70 CB LYS A 68 -26.307 -17.642 -1.761 1.00 0.00 C ATOM 71 CG LYS A 68 -27.579 -18.325 -2.232 1.00 0.00 C ATOM 72 CD LYS A 68 -28.818 -17.624 -1.701 1.00 0.00 C ATOM 73 CE LYS A 68 -30.043 -18.523 -1.777 1.00 0.00 C ATOM 74 NZ LYS A 68 -30.462 -18.772 -3.184 1.00 0.00 N ATOM 0 H LYS A 68 -24.482 -19.325 -1.290 1.00 0.00 H new ATOM 0 HA LYS A 68 -25.459 -18.014 -3.701 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -26.065 -17.996 -0.759 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -26.487 -16.570 -1.686 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -27.605 -18.336 -3.322 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -27.578 -19.364 -1.903 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -28.651 -17.321 -0.667 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -28.997 -16.715 -2.275 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -29.827 -19.473 -1.289 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -30.865 -18.063 -1.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -31.300 -19.388 -3.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -30.693 -17.868 -3.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -29.687 -19.234 -3.701 1.00 0.00 H new ATOM 88 N VAL A 69 -23.477 -16.437 -3.746 1.00 0.00 N ATOM 89 CA VAL A 69 -22.553 -15.313 -3.840 1.00 0.00 C ATOM 90 C VAL A 69 -22.582 -14.692 -5.232 1.00 0.00 C ATOM 91 O VAL A 69 -22.298 -15.358 -6.228 1.00 0.00 O ATOM 92 CB VAL A 69 -21.111 -15.743 -3.512 1.00 0.00 C ATOM 93 CG1 VAL A 69 -20.139 -14.604 -3.782 1.00 0.00 C ATOM 94 CG2 VAL A 69 -21.010 -16.210 -2.068 1.00 0.00 C ATOM 0 H VAL A 69 -23.535 -17.007 -4.590 1.00 0.00 H new ATOM 0 HA VAL A 69 -22.879 -14.574 -3.109 1.00 0.00 H new ATOM 0 HB VAL A 69 -20.843 -16.578 -4.160 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -19.125 -14.927 -3.544 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -20.193 -14.321 -4.833 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -20.402 -13.747 -3.162 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -19.984 -16.510 -1.854 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -21.297 -15.397 -1.402 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -21.676 -17.059 -1.913 1.00 0.00 H new ATOM 104 N LYS A 70 -22.928 -13.410 -5.295 1.00 0.00 N ATOM 105 CA LYS A 70 -22.994 -12.696 -6.565 1.00 0.00 C ATOM 106 C LYS A 70 -22.665 -11.219 -6.376 1.00 0.00 C ATOM 107 O LYS A 70 -23.480 -10.454 -5.861 1.00 0.00 O ATOM 108 CB LYS A 70 -24.385 -12.844 -7.185 1.00 0.00 C ATOM 109 CG LYS A 70 -24.460 -12.375 -8.628 1.00 0.00 C ATOM 110 CD LYS A 70 -24.409 -10.859 -8.724 1.00 0.00 C ATOM 111 CE LYS A 70 -24.989 -10.365 -10.040 1.00 0.00 C ATOM 112 NZ LYS A 70 -24.058 -10.595 -11.179 1.00 0.00 N ATOM 0 H LYS A 70 -23.167 -12.844 -4.481 1.00 0.00 H new ATOM 0 HA LYS A 70 -22.255 -13.132 -7.237 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -24.686 -13.890 -7.136 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -25.101 -12.278 -6.590 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -23.634 -12.805 -9.195 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -25.382 -12.739 -9.083 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -24.964 -10.422 -7.894 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -23.377 -10.522 -8.631 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -25.933 -10.874 -10.234 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -25.211 -9.301 -9.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -23.829 -9.686 -11.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -23.184 -11.038 -10.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -24.509 -11.222 -11.875 1.00 0.00 H new ATOM 126 N GLU A 71 -21.467 -10.825 -6.796 1.00 0.00 N ATOM 127 CA GLU A 71 -21.032 -9.439 -6.673 1.00 0.00 C ATOM 128 C GLU A 71 -19.768 -9.191 -7.491 1.00 0.00 C ATOM 129 O GLU A 71 -18.750 -9.857 -7.299 1.00 0.00 O ATOM 130 CB GLU A 71 -20.780 -9.089 -5.205 1.00 0.00 C ATOM 131 CG GLU A 71 -20.376 -7.641 -4.985 1.00 0.00 C ATOM 132 CD GLU A 71 -19.628 -7.435 -3.683 1.00 0.00 C ATOM 133 OE1 GLU A 71 -20.019 -8.051 -2.669 1.00 0.00 O ATOM 134 OE2 GLU A 71 -18.651 -6.657 -3.677 1.00 0.00 O ATOM 0 H GLU A 71 -20.781 -11.446 -7.224 1.00 0.00 H new ATOM 0 HA GLU A 71 -21.826 -8.800 -7.060 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -21.683 -9.297 -4.631 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -19.997 -9.739 -4.814 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -19.750 -7.312 -5.815 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -21.268 -7.014 -4.990 1.00 0.00 H new ATOM 141 N LEU A 72 -19.840 -8.228 -8.403 1.00 0.00 N ATOM 142 CA LEU A 72 -18.703 -7.891 -9.252 1.00 0.00 C ATOM 143 C LEU A 72 -18.114 -6.539 -8.862 1.00 0.00 C ATOM 144 O LEU A 72 -18.598 -5.493 -9.291 1.00 0.00 O ATOM 145 CB LEU A 72 -19.126 -7.870 -10.722 1.00 0.00 C ATOM 146 CG LEU A 72 -19.477 -9.225 -11.338 1.00 0.00 C ATOM 147 CD1 LEU A 72 -20.919 -9.595 -11.028 1.00 0.00 C ATOM 148 CD2 LEU A 72 -19.241 -9.204 -12.842 1.00 0.00 C ATOM 0 H LEU A 72 -20.674 -7.666 -8.574 1.00 0.00 H new ATOM 0 HA LEU A 72 -17.938 -8.655 -9.111 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -19.990 -7.213 -10.821 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -18.319 -7.426 -11.305 1.00 0.00 H new ATOM 0 HG LEU A 72 -18.827 -9.982 -10.899 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -21.151 -10.562 -11.474 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -21.056 -9.652 -9.948 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -21.586 -8.837 -11.439 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -19.496 -10.176 -13.264 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -19.866 -8.436 -13.298 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -18.192 -8.985 -13.043 1.00 0.00 H new ATOM 160 N ASN A 73 -17.065 -6.570 -8.046 1.00 0.00 N ATOM 161 CA ASN A 73 -16.409 -5.346 -7.599 1.00 0.00 C ATOM 162 C ASN A 73 -15.004 -5.641 -7.082 1.00 0.00 C ATOM 163 O ASN A 73 -14.832 -6.331 -6.076 1.00 0.00 O ATOM 164 CB ASN A 73 -17.236 -4.670 -6.504 1.00 0.00 C ATOM 165 CG ASN A 73 -18.339 -3.796 -7.069 1.00 0.00 C ATOM 166 OD1 ASN A 73 -18.074 -2.812 -7.760 1.00 0.00 O ATOM 167 ND2 ASN A 73 -19.585 -4.153 -6.778 1.00 0.00 N ATOM 0 H ASN A 73 -16.651 -7.428 -7.681 1.00 0.00 H new ATOM 0 HA ASN A 73 -16.330 -4.673 -8.452 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -17.674 -5.433 -5.860 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -16.580 -4.064 -5.879 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -20.369 -3.604 -7.131 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -19.758 -4.976 -6.201 1.00 0.00 H new ATOM 174 N LEU A 74 -14.002 -5.112 -7.775 1.00 0.00 N ATOM 175 CA LEU A 74 -12.611 -5.317 -7.386 1.00 0.00 C ATOM 176 C LEU A 74 -12.379 -4.883 -5.942 1.00 0.00 C ATOM 177 O LEU A 74 -13.279 -4.351 -5.291 1.00 0.00 O ATOM 178 CB LEU A 74 -11.680 -4.541 -8.319 1.00 0.00 C ATOM 179 CG LEU A 74 -11.643 -5.010 -9.774 1.00 0.00 C ATOM 180 CD1 LEU A 74 -11.050 -3.933 -10.668 1.00 0.00 C ATOM 181 CD2 LEU A 74 -10.851 -6.304 -9.897 1.00 0.00 C ATOM 0 H LEU A 74 -14.126 -4.538 -8.609 1.00 0.00 H new ATOM 0 HA LEU A 74 -12.391 -6.382 -7.466 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -11.976 -3.492 -8.304 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -10.669 -4.593 -7.916 1.00 0.00 H new ATOM 0 HG LEU A 74 -12.666 -5.200 -10.100 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -11.032 -4.285 -11.699 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -11.658 -3.031 -10.603 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -10.034 -3.709 -10.343 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -10.835 -6.623 -10.939 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -9.830 -6.140 -9.552 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -11.320 -7.077 -9.288 1.00 0.00 H new ATOM 193 N HIS A 75 -11.167 -5.111 -5.448 1.00 0.00 N ATOM 194 CA HIS A 75 -10.816 -4.741 -4.081 1.00 0.00 C ATOM 195 C HIS A 75 -10.344 -3.292 -4.015 1.00 0.00 C ATOM 196 O HIS A 75 -9.144 -3.020 -4.003 1.00 0.00 O ATOM 197 CB HIS A 75 -9.727 -5.669 -3.543 1.00 0.00 C ATOM 198 CG HIS A 75 -9.952 -7.112 -3.874 1.00 0.00 C ATOM 199 ND1 HIS A 75 -10.306 -8.054 -2.931 1.00 0.00 N ATOM 200 CD2 HIS A 75 -9.873 -7.773 -5.052 1.00 0.00 C ATOM 201 CE1 HIS A 75 -10.433 -9.232 -3.515 1.00 0.00 C ATOM 202 NE2 HIS A 75 -10.177 -9.089 -4.803 1.00 0.00 N ATOM 0 H HIS A 75 -10.411 -5.550 -5.973 1.00 0.00 H new ATOM 0 HA HIS A 75 -11.708 -4.843 -3.463 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -8.764 -5.358 -3.947 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -9.669 -5.558 -2.460 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -9.618 -7.345 -6.010 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -10.701 -10.155 -3.023 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -10.201 -9.834 -5.499 1.00 0.00 H new ATOM 210 N GLU A 76 -11.297 -2.366 -3.974 1.00 0.00 N ATOM 211 CA GLU A 76 -10.978 -0.944 -3.911 1.00 0.00 C ATOM 212 C GLU A 76 -10.735 -0.504 -2.470 1.00 0.00 C ATOM 213 O GLU A 76 -11.165 0.574 -2.057 1.00 0.00 O ATOM 214 CB GLU A 76 -12.109 -0.117 -4.525 1.00 0.00 C ATOM 215 CG GLU A 76 -11.681 1.277 -4.951 1.00 0.00 C ATOM 216 CD GLU A 76 -11.195 1.325 -6.387 1.00 0.00 C ATOM 217 OE1 GLU A 76 -10.415 0.431 -6.778 1.00 0.00 O ATOM 218 OE2 GLU A 76 -11.593 2.255 -7.118 1.00 0.00 O ATOM 0 H GLU A 76 -12.295 -2.575 -3.983 1.00 0.00 H new ATOM 0 HA GLU A 76 -10.065 -0.777 -4.482 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -12.506 -0.647 -5.391 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -12.921 -0.034 -3.802 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -12.520 1.963 -4.832 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -10.887 1.627 -4.291 1.00 0.00 H new ATOM 225 N LEU A 77 -10.045 -1.347 -1.709 1.00 0.00 N ATOM 226 CA LEU A 77 -9.745 -1.046 -0.313 1.00 0.00 C ATOM 227 C LEU A 77 -8.385 -1.610 0.085 1.00 0.00 C ATOM 228 O LEU A 77 -8.049 -2.746 -0.252 1.00 0.00 O ATOM 229 CB LEU A 77 -10.833 -1.618 0.597 1.00 0.00 C ATOM 230 CG LEU A 77 -12.274 -1.270 0.222 1.00 0.00 C ATOM 231 CD1 LEU A 77 -13.223 -2.372 0.667 1.00 0.00 C ATOM 232 CD2 LEU A 77 -12.677 0.063 0.835 1.00 0.00 C ATOM 0 H LEU A 77 -9.683 -2.243 -2.035 1.00 0.00 H new ATOM 0 HA LEU A 77 -9.716 0.038 -0.198 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -10.734 -2.703 0.610 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -10.649 -1.269 1.613 1.00 0.00 H new ATOM 0 HG LEU A 77 -12.336 -1.182 -0.863 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -14.244 -2.106 0.392 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -12.948 -3.308 0.181 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -13.159 -2.493 1.748 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -13.705 0.295 0.558 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -12.599 0.003 1.921 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -12.016 0.848 0.466 1.00 0.00 H new ATOM 244 N CYS A 78 -7.606 -0.810 0.805 1.00 0.00 N ATOM 245 CA CYS A 78 -6.283 -1.228 1.251 1.00 0.00 C ATOM 246 C CYS A 78 -6.346 -2.590 1.938 1.00 0.00 C ATOM 247 O CYS A 78 -7.377 -2.970 2.492 1.00 0.00 O ATOM 248 CB CYS A 78 -5.692 -0.190 2.207 1.00 0.00 C ATOM 249 SG CYS A 78 -4.077 -0.658 2.907 1.00 0.00 S ATOM 0 H CYS A 78 -7.869 0.133 1.092 1.00 0.00 H new ATOM 0 HA CYS A 78 -5.641 -1.311 0.374 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -5.586 0.757 1.678 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -6.395 -0.022 3.023 1.00 0.00 H new ATOM 254 N ALA A 79 -5.236 -3.319 1.896 1.00 0.00 N ATOM 255 CA ALA A 79 -5.163 -4.637 2.515 1.00 0.00 C ATOM 256 C ALA A 79 -4.384 -4.586 3.825 1.00 0.00 C ATOM 257 O ALA A 79 -4.609 -5.395 4.725 1.00 0.00 O ATOM 258 CB ALA A 79 -4.528 -5.635 1.559 1.00 0.00 C ATOM 0 H ALA A 79 -4.374 -3.019 1.440 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.179 -4.962 2.740 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.480 -6.615 2.035 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.128 -5.701 0.651 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -3.521 -5.305 1.305 1.00 0.00 H new ATOM 264 N VAL A 80 -3.466 -3.630 3.925 1.00 0.00 N ATOM 265 CA VAL A 80 -2.653 -3.473 5.125 1.00 0.00 C ATOM 266 C VAL A 80 -3.506 -3.048 6.315 1.00 0.00 C ATOM 267 O VAL A 80 -3.488 -3.690 7.366 1.00 0.00 O ATOM 268 CB VAL A 80 -1.533 -2.437 4.913 1.00 0.00 C ATOM 269 CG1 VAL A 80 -0.753 -2.223 6.201 1.00 0.00 C ATOM 270 CG2 VAL A 80 -0.609 -2.874 3.787 1.00 0.00 C ATOM 0 H VAL A 80 -3.267 -2.952 3.189 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.204 -4.444 5.332 1.00 0.00 H new ATOM 0 HB VAL A 80 -1.989 -1.488 4.630 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.034 -1.488 6.032 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.426 -1.862 6.978 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.307 -3.166 6.517 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.176 -2.130 3.651 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.159 -3.835 4.038 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.181 -2.971 2.864 1.00 0.00 H new ATOM 280 N CYS A 81 -4.252 -1.963 6.143 1.00 0.00 N ATOM 281 CA CYS A 81 -5.113 -1.450 7.202 1.00 0.00 C ATOM 282 C CYS A 81 -6.578 -1.770 6.915 1.00 0.00 C ATOM 283 O CYS A 81 -7.476 -1.292 7.608 1.00 0.00 O ATOM 284 CB CYS A 81 -4.929 0.061 7.351 1.00 0.00 C ATOM 285 SG CYS A 81 -5.395 1.016 5.871 1.00 0.00 S ATOM 0 H CYS A 81 -4.278 -1.421 5.279 1.00 0.00 H new ATOM 0 HA CYS A 81 -4.829 -1.937 8.135 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -5.524 0.407 8.196 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -3.886 0.267 7.590 1.00 0.00 H new ATOM 290 N LEU A 82 -6.810 -2.580 5.888 1.00 0.00 N ATOM 291 CA LEU A 82 -8.165 -2.965 5.509 1.00 0.00 C ATOM 292 C LEU A 82 -9.107 -1.766 5.564 1.00 0.00 C ATOM 293 O LEU A 82 -10.137 -1.805 6.235 1.00 0.00 O ATOM 294 CB LEU A 82 -8.679 -4.074 6.429 1.00 0.00 C ATOM 295 CG LEU A 82 -8.242 -5.496 6.074 1.00 0.00 C ATOM 296 CD1 LEU A 82 -8.567 -6.453 7.211 1.00 0.00 C ATOM 297 CD2 LEU A 82 -8.908 -5.952 4.784 1.00 0.00 C ATOM 0 H LEU A 82 -6.078 -2.983 5.303 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.137 -3.336 4.484 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -8.350 -3.857 7.445 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -9.768 -4.040 6.432 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.163 -5.497 5.922 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.249 -7.460 6.941 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -8.044 -6.137 8.113 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -9.641 -6.449 7.394 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -8.586 -6.966 4.547 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -9.991 -5.935 4.908 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -8.625 -5.282 3.972 1.00 0.00 H new ATOM 309 N GLU A 83 -8.746 -0.703 4.852 1.00 0.00 N ATOM 310 CA GLU A 83 -9.560 0.506 4.819 1.00 0.00 C ATOM 311 C GLU A 83 -9.595 1.101 3.414 1.00 0.00 C ATOM 312 O GLU A 83 -8.741 0.800 2.580 1.00 0.00 O ATOM 313 CB GLU A 83 -9.017 1.540 5.808 1.00 0.00 C ATOM 314 CG GLU A 83 -9.504 1.333 7.233 1.00 0.00 C ATOM 315 CD GLU A 83 -11.015 1.232 7.324 1.00 0.00 C ATOM 316 OE1 GLU A 83 -11.693 2.245 7.055 1.00 0.00 O ATOM 317 OE2 GLU A 83 -11.517 0.141 7.664 1.00 0.00 O ATOM 0 H GLU A 83 -7.896 -0.655 4.291 1.00 0.00 H new ATOM 0 HA GLU A 83 -10.576 0.236 5.106 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -7.928 1.505 5.796 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -9.307 2.536 5.475 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.058 0.424 7.637 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -9.161 2.160 7.854 1.00 0.00 H new ATOM 324 N ASP A 84 -10.589 1.944 3.160 1.00 0.00 N ATOM 325 CA ASP A 84 -10.737 2.582 1.857 1.00 0.00 C ATOM 326 C ASP A 84 -9.639 3.616 1.630 1.00 0.00 C ATOM 327 O ASP A 84 -9.119 4.203 2.579 1.00 0.00 O ATOM 328 CB ASP A 84 -12.111 3.244 1.742 1.00 0.00 C ATOM 329 CG ASP A 84 -12.296 4.369 2.741 1.00 0.00 C ATOM 330 OD1 ASP A 84 -12.086 4.131 3.949 1.00 0.00 O ATOM 331 OD2 ASP A 84 -12.650 5.488 2.315 1.00 0.00 O ATOM 0 H ASP A 84 -11.305 2.202 3.839 1.00 0.00 H new ATOM 0 HA ASP A 84 -10.649 1.812 1.091 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -12.240 3.634 0.732 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -12.887 2.494 1.896 1.00 0.00 H new ATOM 336 N PHE A 85 -9.290 3.834 0.367 1.00 0.00 N ATOM 337 CA PHE A 85 -8.252 4.796 0.015 1.00 0.00 C ATOM 338 C PHE A 85 -8.810 6.216 -0.003 1.00 0.00 C ATOM 339 O PHE A 85 -9.991 6.428 -0.280 1.00 0.00 O ATOM 340 CB PHE A 85 -7.651 4.454 -1.350 1.00 0.00 C ATOM 341 CG PHE A 85 -7.005 3.099 -1.398 1.00 0.00 C ATOM 342 CD1 PHE A 85 -5.874 2.829 -0.645 1.00 0.00 C ATOM 343 CD2 PHE A 85 -7.528 2.096 -2.198 1.00 0.00 C ATOM 344 CE1 PHE A 85 -5.277 1.583 -0.687 1.00 0.00 C ATOM 345 CE2 PHE A 85 -6.936 0.848 -2.243 1.00 0.00 C ATOM 346 CZ PHE A 85 -5.808 0.592 -1.488 1.00 0.00 C ATOM 0 H PHE A 85 -9.711 3.357 -0.431 1.00 0.00 H new ATOM 0 HA PHE A 85 -7.470 4.742 0.772 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -8.435 4.501 -2.105 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -6.911 5.210 -1.612 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -5.454 3.601 -0.018 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -8.408 2.292 -2.793 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -4.396 1.385 -0.094 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -7.355 0.073 -2.868 1.00 0.00 H new ATOM 0 HZ PHE A 85 -5.342 -0.382 -1.524 1.00 0.00 H new ATOM 356 N LYS A 86 -7.952 7.186 0.294 1.00 0.00 N ATOM 357 CA LYS A 86 -8.357 8.587 0.311 1.00 0.00 C ATOM 358 C LYS A 86 -7.319 9.462 -0.385 1.00 0.00 C ATOM 359 O LYS A 86 -6.126 9.161 -0.396 1.00 0.00 O ATOM 360 CB LYS A 86 -8.558 9.063 1.752 1.00 0.00 C ATOM 361 CG LYS A 86 -9.546 8.220 2.539 1.00 0.00 C ATOM 362 CD LYS A 86 -9.871 8.851 3.883 1.00 0.00 C ATOM 363 CE LYS A 86 -11.078 8.191 4.531 1.00 0.00 C ATOM 364 NZ LYS A 86 -10.732 6.878 5.142 1.00 0.00 N ATOM 0 H LYS A 86 -6.971 7.028 0.526 1.00 0.00 H new ATOM 0 HA LYS A 86 -9.300 8.674 -0.229 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.597 9.055 2.266 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -8.904 10.096 1.739 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -10.463 8.099 1.962 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -9.133 7.223 2.694 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -9.009 8.765 4.545 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -10.065 9.915 3.749 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -11.485 8.851 5.296 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -11.859 8.049 3.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -11.234 6.118 4.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -9.706 6.722 5.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -11.014 6.876 6.143 1.00 0.00 H new ATOM 378 N PRO A 87 -7.782 10.572 -0.978 1.00 0.00 N ATOM 379 CA PRO A 87 -6.910 11.514 -1.685 1.00 0.00 C ATOM 380 C PRO A 87 -5.997 12.284 -0.735 1.00 0.00 C ATOM 381 O PRO A 87 -4.832 12.533 -1.045 1.00 0.00 O ATOM 382 CB PRO A 87 -7.895 12.466 -2.368 1.00 0.00 C ATOM 383 CG PRO A 87 -9.127 12.400 -1.533 1.00 0.00 C ATOM 384 CD PRO A 87 -9.193 10.994 -1.003 1.00 0.00 C ATOM 0 HA PRO A 87 -6.238 11.006 -2.377 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -7.500 13.481 -2.411 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -8.096 12.159 -3.394 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -9.085 13.123 -0.718 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -10.012 12.636 -2.124 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -9.640 10.960 -0.010 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -9.794 10.350 -1.645 1.00 0.00 H new ATOM 392 N ARG A 88 -6.534 12.657 0.421 1.00 0.00 N ATOM 393 CA ARG A 88 -5.768 13.399 1.416 1.00 0.00 C ATOM 394 C ARG A 88 -4.422 12.729 1.675 1.00 0.00 C ATOM 395 O ARG A 88 -3.417 13.401 1.904 1.00 0.00 O ATOM 396 CB ARG A 88 -6.557 13.507 2.722 1.00 0.00 C ATOM 397 CG ARG A 88 -7.944 14.104 2.548 1.00 0.00 C ATOM 398 CD ARG A 88 -8.490 14.636 3.864 1.00 0.00 C ATOM 399 NE ARG A 88 -8.994 13.565 4.720 1.00 0.00 N ATOM 400 CZ ARG A 88 -9.910 13.749 5.664 1.00 0.00 C ATOM 401 NH1 ARG A 88 -10.420 14.955 5.872 1.00 0.00 N ATOM 402 NH2 ARG A 88 -10.318 12.725 6.403 1.00 0.00 N ATOM 0 H ARG A 88 -7.497 12.458 0.693 1.00 0.00 H new ATOM 0 HA ARG A 88 -5.587 14.401 1.026 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -6.651 12.515 3.163 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -5.994 14.118 3.428 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -7.905 14.911 1.816 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -8.620 13.347 2.152 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -7.705 15.180 4.389 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -9.291 15.347 3.663 1.00 0.00 H new ATOM 0 HE ARG A 88 -8.622 12.625 4.585 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -10.109 15.745 5.306 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -11.123 15.093 6.598 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -9.928 11.796 6.246 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -11.021 12.867 7.128 1.00 0.00 H new ATOM 416 N ASP A 89 -4.412 11.401 1.640 1.00 0.00 N ATOM 417 CA ASP A 89 -3.190 10.639 1.871 1.00 0.00 C ATOM 418 C ASP A 89 -2.664 10.046 0.567 1.00 0.00 C ATOM 419 O ASP A 89 -3.304 9.184 -0.035 1.00 0.00 O ATOM 420 CB ASP A 89 -3.442 9.525 2.887 1.00 0.00 C ATOM 421 CG ASP A 89 -2.156 8.959 3.457 1.00 0.00 C ATOM 422 OD1 ASP A 89 -1.454 8.231 2.725 1.00 0.00 O ATOM 423 OD2 ASP A 89 -1.853 9.242 4.635 1.00 0.00 O ATOM 0 H ASP A 89 -5.236 10.830 1.454 1.00 0.00 H new ATOM 0 HA ASP A 89 -2.437 11.319 2.269 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -4.057 9.911 3.700 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -4.008 8.724 2.411 1.00 0.00 H new ATOM 428 N GLU A 90 -1.497 10.515 0.137 1.00 0.00 N ATOM 429 CA GLU A 90 -0.888 10.032 -1.096 1.00 0.00 C ATOM 430 C GLU A 90 -1.009 8.514 -1.205 1.00 0.00 C ATOM 431 O GLU A 90 -0.515 7.778 -0.350 1.00 0.00 O ATOM 432 CB GLU A 90 0.585 10.442 -1.159 1.00 0.00 C ATOM 433 CG GLU A 90 0.800 11.946 -1.113 1.00 0.00 C ATOM 434 CD GLU A 90 0.725 12.587 -2.485 1.00 0.00 C ATOM 435 OE1 GLU A 90 0.075 12.005 -3.379 1.00 0.00 O ATOM 436 OE2 GLU A 90 1.317 13.672 -2.665 1.00 0.00 O ATOM 0 H GLU A 90 -0.955 11.229 0.624 1.00 0.00 H new ATOM 0 HA GLU A 90 -1.420 10.483 -1.934 1.00 0.00 H new ATOM 0 HB2 GLU A 90 1.118 9.982 -0.327 1.00 0.00 H new ATOM 0 HB3 GLU A 90 1.024 10.048 -2.076 1.00 0.00 H new ATOM 0 HG2 GLU A 90 0.050 12.397 -0.464 1.00 0.00 H new ATOM 0 HG3 GLU A 90 1.773 12.157 -0.670 1.00 0.00 H new ATOM 443 N LEU A 91 -1.671 8.054 -2.260 1.00 0.00 N ATOM 444 CA LEU A 91 -1.859 6.624 -2.481 1.00 0.00 C ATOM 445 C LEU A 91 -0.781 6.070 -3.408 1.00 0.00 C ATOM 446 O LEU A 91 -0.780 6.341 -4.608 1.00 0.00 O ATOM 447 CB LEU A 91 -3.244 6.357 -3.075 1.00 0.00 C ATOM 448 CG LEU A 91 -4.433 6.865 -2.259 1.00 0.00 C ATOM 449 CD1 LEU A 91 -5.689 6.909 -3.116 1.00 0.00 C ATOM 450 CD2 LEU A 91 -4.652 5.990 -1.033 1.00 0.00 C ATOM 0 H LEU A 91 -2.087 8.650 -2.976 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.780 6.119 -1.518 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.287 6.812 -4.064 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.357 5.282 -3.214 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.212 7.878 -1.923 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.525 7.273 -2.518 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.529 7.578 -3.962 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -5.914 5.908 -3.483 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.502 6.367 -0.464 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.851 4.966 -1.348 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -3.760 6.010 -0.407 1.00 0.00 H new ATOM 462 N GLY A 92 0.135 5.290 -2.841 1.00 0.00 N ATOM 463 CA GLY A 92 1.205 4.709 -3.631 1.00 0.00 C ATOM 464 C GLY A 92 0.742 3.517 -4.446 1.00 0.00 C ATOM 465 O GLY A 92 0.271 2.523 -3.892 1.00 0.00 O ATOM 0 H GLY A 92 0.155 5.050 -1.850 1.00 0.00 H new ATOM 0 HA2 GLY A 92 1.611 5.467 -4.300 1.00 0.00 H new ATOM 0 HA3 GLY A 92 2.015 4.401 -2.970 1.00 0.00 H new ATOM 469 N ILE A 93 0.873 3.617 -5.764 1.00 0.00 N ATOM 470 CA ILE A 93 0.464 2.540 -6.656 1.00 0.00 C ATOM 471 C ILE A 93 1.644 1.642 -7.012 1.00 0.00 C ATOM 472 O ILE A 93 2.584 2.072 -7.682 1.00 0.00 O ATOM 473 CB ILE A 93 -0.159 3.089 -7.954 1.00 0.00 C ATOM 474 CG1 ILE A 93 -1.400 3.924 -7.636 1.00 0.00 C ATOM 475 CG2 ILE A 93 -0.509 1.948 -8.897 1.00 0.00 C ATOM 476 CD1 ILE A 93 -2.609 3.094 -7.264 1.00 0.00 C ATOM 0 H ILE A 93 1.259 4.433 -6.238 1.00 0.00 H new ATOM 0 HA ILE A 93 -0.285 1.956 -6.122 1.00 0.00 H new ATOM 0 HB ILE A 93 0.571 3.731 -8.447 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -1.170 4.604 -6.816 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -1.645 4.540 -8.501 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -0.948 2.352 -9.809 1.00 0.00 H new ATOM 0 HG22 ILE A 93 0.394 1.391 -9.145 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -1.224 1.283 -8.414 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -3.451 3.753 -7.052 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -2.865 2.433 -8.092 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -2.383 2.498 -6.380 1.00 0.00 H new ATOM 488 N CYS A 94 1.589 0.395 -6.560 1.00 0.00 N ATOM 489 CA CYS A 94 2.653 -0.565 -6.831 1.00 0.00 C ATOM 490 C CYS A 94 2.626 -1.009 -8.290 1.00 0.00 C ATOM 491 O CYS A 94 1.619 -0.877 -8.986 1.00 0.00 O ATOM 492 CB CYS A 94 2.519 -1.781 -5.913 1.00 0.00 C ATOM 493 SG CYS A 94 3.414 -1.628 -4.350 1.00 0.00 S ATOM 0 H CYS A 94 0.819 0.024 -6.004 1.00 0.00 H new ATOM 0 HA CYS A 94 3.607 -0.076 -6.636 1.00 0.00 H new ATOM 0 HB2 CYS A 94 1.463 -1.947 -5.700 1.00 0.00 H new ATOM 0 HB3 CYS A 94 2.880 -2.663 -6.441 1.00 0.00 H new ATOM 0 HG CYS A 94 3.238 -2.704 -3.642 1.00 0.00 H new ATOM 499 N PRO A 95 3.759 -1.546 -8.766 1.00 0.00 N ATOM 500 CA PRO A 95 3.891 -2.020 -10.147 1.00 0.00 C ATOM 501 C PRO A 95 3.069 -3.276 -10.411 1.00 0.00 C ATOM 502 O PRO A 95 3.114 -3.843 -11.503 1.00 0.00 O ATOM 503 CB PRO A 95 5.386 -2.322 -10.277 1.00 0.00 C ATOM 504 CG PRO A 95 5.837 -2.605 -8.886 1.00 0.00 C ATOM 505 CD PRO A 95 4.998 -1.734 -7.993 1.00 0.00 C ATOM 0 HA PRO A 95 3.526 -1.286 -10.866 1.00 0.00 H new ATOM 0 HB2 PRO A 95 5.562 -3.175 -10.932 1.00 0.00 H new ATOM 0 HB3 PRO A 95 5.925 -1.476 -10.704 1.00 0.00 H new ATOM 0 HG2 PRO A 95 5.705 -3.659 -8.640 1.00 0.00 H new ATOM 0 HG3 PRO A 95 6.897 -2.380 -8.766 1.00 0.00 H new ATOM 0 HD2 PRO A 95 4.804 -2.212 -7.033 1.00 0.00 H new ATOM 0 HD3 PRO A 95 5.489 -0.784 -7.783 1.00 0.00 H new ATOM 513 N CYS A 96 2.316 -3.707 -9.404 1.00 0.00 N ATOM 514 CA CYS A 96 1.482 -4.897 -9.526 1.00 0.00 C ATOM 515 C CYS A 96 0.008 -4.519 -9.639 1.00 0.00 C ATOM 516 O CYS A 96 -0.872 -5.277 -9.231 1.00 0.00 O ATOM 517 CB CYS A 96 1.693 -5.818 -8.323 1.00 0.00 C ATOM 518 SG CYS A 96 1.456 -5.003 -6.712 1.00 0.00 S ATOM 0 H CYS A 96 2.266 -3.249 -8.494 1.00 0.00 H new ATOM 0 HA CYS A 96 1.774 -5.424 -10.434 1.00 0.00 H new ATOM 0 HB2 CYS A 96 1.004 -6.659 -8.398 1.00 0.00 H new ATOM 0 HB3 CYS A 96 2.702 -6.228 -8.366 1.00 0.00 H new ATOM 523 N LYS A 97 -0.254 -3.342 -10.198 1.00 0.00 N ATOM 524 CA LYS A 97 -1.620 -2.862 -10.367 1.00 0.00 C ATOM 525 C LYS A 97 -2.369 -2.872 -9.038 1.00 0.00 C ATOM 526 O LYS A 97 -3.539 -3.249 -8.976 1.00 0.00 O ATOM 527 CB LYS A 97 -2.363 -3.726 -11.389 1.00 0.00 C ATOM 528 CG LYS A 97 -1.978 -3.432 -12.828 1.00 0.00 C ATOM 529 CD LYS A 97 -2.777 -2.270 -13.393 1.00 0.00 C ATOM 530 CE LYS A 97 -2.942 -2.388 -14.901 1.00 0.00 C ATOM 531 NZ LYS A 97 -4.006 -1.481 -15.414 1.00 0.00 N ATOM 0 H LYS A 97 0.463 -2.703 -10.542 1.00 0.00 H new ATOM 0 HA LYS A 97 -1.575 -1.836 -10.731 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.165 -4.777 -11.176 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -3.436 -3.573 -11.270 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.914 -3.203 -12.881 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.144 -4.320 -13.439 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.758 -2.238 -12.920 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.276 -1.332 -13.153 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.997 -2.152 -15.390 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.186 -3.418 -15.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -4.088 -1.590 -16.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.913 -1.722 -14.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -3.761 -0.496 -15.189 1.00 0.00 H new ATOM 545 N HIS A 98 -1.687 -2.452 -7.977 1.00 0.00 N ATOM 546 CA HIS A 98 -2.289 -2.410 -6.649 1.00 0.00 C ATOM 547 C HIS A 98 -2.006 -1.075 -5.966 1.00 0.00 C ATOM 548 O HIS A 98 -0.926 -0.505 -6.120 1.00 0.00 O ATOM 549 CB HIS A 98 -1.759 -3.558 -5.789 1.00 0.00 C ATOM 550 CG HIS A 98 -2.561 -4.817 -5.912 1.00 0.00 C ATOM 551 ND1 HIS A 98 -1.995 -6.049 -6.167 1.00 0.00 N ATOM 552 CD2 HIS A 98 -3.894 -5.032 -5.811 1.00 0.00 C ATOM 553 CE1 HIS A 98 -2.945 -6.965 -6.219 1.00 0.00 C ATOM 554 NE2 HIS A 98 -4.107 -6.374 -6.006 1.00 0.00 N ATOM 0 H HIS A 98 -0.718 -2.136 -8.011 1.00 0.00 H new ATOM 0 HA HIS A 98 -3.368 -2.519 -6.763 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -0.727 -3.765 -6.070 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -1.748 -3.244 -4.745 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -4.650 -4.286 -5.614 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -2.797 -8.019 -6.404 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -5.015 -6.839 -5.989 1.00 0.00 H new ATOM 562 N ALA A 99 -2.984 -0.583 -5.213 1.00 0.00 N ATOM 563 CA ALA A 99 -2.839 0.684 -4.506 1.00 0.00 C ATOM 564 C ALA A 99 -2.688 0.460 -3.005 1.00 0.00 C ATOM 565 O ALA A 99 -3.332 -0.417 -2.429 1.00 0.00 O ATOM 566 CB ALA A 99 -4.031 1.585 -4.789 1.00 0.00 C ATOM 0 H ALA A 99 -3.885 -1.042 -5.077 1.00 0.00 H new ATOM 0 HA ALA A 99 -1.934 1.172 -4.867 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -3.910 2.527 -4.255 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -4.094 1.780 -5.860 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -4.945 1.094 -4.456 1.00 0.00 H new ATOM 572 N PHE A 100 -1.831 1.258 -2.376 1.00 0.00 N ATOM 573 CA PHE A 100 -1.594 1.146 -0.942 1.00 0.00 C ATOM 574 C PHE A 100 -1.208 2.498 -0.347 1.00 0.00 C ATOM 575 O PHE A 100 -0.728 3.385 -1.053 1.00 0.00 O ATOM 576 CB PHE A 100 -0.492 0.121 -0.664 1.00 0.00 C ATOM 577 CG PHE A 100 -0.840 -1.269 -1.112 1.00 0.00 C ATOM 578 CD1 PHE A 100 -1.767 -2.025 -0.413 1.00 0.00 C ATOM 579 CD2 PHE A 100 -0.240 -1.820 -2.233 1.00 0.00 C ATOM 580 CE1 PHE A 100 -2.091 -3.305 -0.824 1.00 0.00 C ATOM 581 CE2 PHE A 100 -0.559 -3.099 -2.648 1.00 0.00 C ATOM 582 CZ PHE A 100 -1.485 -3.843 -1.942 1.00 0.00 C ATOM 0 H PHE A 100 -1.289 1.989 -2.837 1.00 0.00 H new ATOM 0 HA PHE A 100 -2.519 0.812 -0.471 1.00 0.00 H new ATOM 0 HB2 PHE A 100 0.423 0.438 -1.166 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -0.281 0.107 0.405 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -2.242 -1.610 0.463 1.00 0.00 H new ATOM 0 HD2 PHE A 100 0.485 -1.244 -2.788 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -2.817 -3.883 -0.271 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -0.085 -3.517 -3.524 1.00 0.00 H new ATOM 0 HZ PHE A 100 -1.734 -4.843 -2.264 1.00 0.00 H new ATOM 592 N HIS A 101 -1.423 2.647 0.956 1.00 0.00 N ATOM 593 CA HIS A 101 -1.098 3.890 1.647 1.00 0.00 C ATOM 594 C HIS A 101 0.411 4.040 1.816 1.00 0.00 C ATOM 595 O HIS A 101 1.082 3.136 2.314 1.00 0.00 O ATOM 596 CB HIS A 101 -1.782 3.933 3.014 1.00 0.00 C ATOM 597 CG HIS A 101 -3.278 3.939 2.935 1.00 0.00 C ATOM 598 ND1 HIS A 101 -4.050 2.828 3.202 1.00 0.00 N ATOM 599 CD2 HIS A 101 -4.144 4.930 2.618 1.00 0.00 C ATOM 600 CE1 HIS A 101 -5.326 3.135 3.051 1.00 0.00 C ATOM 601 NE2 HIS A 101 -5.410 4.405 2.698 1.00 0.00 N ATOM 0 H HIS A 101 -1.821 1.923 1.555 1.00 0.00 H new ATOM 0 HA HIS A 101 -1.462 4.719 1.040 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -1.461 3.071 3.599 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -1.451 4.823 3.549 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -3.887 5.945 2.352 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -6.159 2.462 3.192 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -6.275 4.913 2.515 1.00 0.00 H new ATOM 609 N ARG A 102 0.938 5.186 1.396 1.00 0.00 N ATOM 610 CA ARG A 102 2.367 5.452 1.499 1.00 0.00 C ATOM 611 C ARG A 102 2.931 4.902 2.805 1.00 0.00 C ATOM 612 O ARG A 102 4.050 4.390 2.845 1.00 0.00 O ATOM 613 CB ARG A 102 2.635 6.956 1.409 1.00 0.00 C ATOM 614 CG ARG A 102 2.698 7.479 -0.017 1.00 0.00 C ATOM 615 CD ARG A 102 4.064 7.236 -0.639 1.00 0.00 C ATOM 616 NE ARG A 102 4.123 5.961 -1.349 1.00 0.00 N ATOM 617 CZ ARG A 102 5.102 5.628 -2.183 1.00 0.00 C ATOM 618 NH1 ARG A 102 6.099 6.472 -2.410 1.00 0.00 N ATOM 619 NH2 ARG A 102 5.085 4.449 -2.792 1.00 0.00 N ATOM 0 H ARG A 102 0.396 5.944 0.981 1.00 0.00 H new ATOM 0 HA ARG A 102 2.865 4.950 0.669 1.00 0.00 H new ATOM 0 HB2 ARG A 102 1.852 7.489 1.948 1.00 0.00 H new ATOM 0 HB3 ARG A 102 3.576 7.179 1.911 1.00 0.00 H new ATOM 0 HG2 ARG A 102 1.931 6.992 -0.619 1.00 0.00 H new ATOM 0 HG3 ARG A 102 2.478 8.547 -0.024 1.00 0.00 H new ATOM 0 HD2 ARG A 102 4.297 8.047 -1.329 1.00 0.00 H new ATOM 0 HD3 ARG A 102 4.825 7.252 0.141 1.00 0.00 H new ATOM 0 HE ARG A 102 3.371 5.289 -1.196 1.00 0.00 H new ATOM 0 HH11 ARG A 102 6.115 7.379 -1.944 1.00 0.00 H new ATOM 0 HH12 ARG A 102 6.850 6.214 -3.051 1.00 0.00 H new ATOM 0 HH21 ARG A 102 4.320 3.797 -2.620 1.00 0.00 H new ATOM 0 HH22 ARG A 102 5.837 4.195 -3.432 1.00 0.00 H new ATOM 633 N LYS A 103 2.148 5.011 3.874 1.00 0.00 N ATOM 634 CA LYS A 103 2.566 4.524 5.183 1.00 0.00 C ATOM 635 C LYS A 103 2.439 3.006 5.265 1.00 0.00 C ATOM 636 O LYS A 103 3.389 2.312 5.631 1.00 0.00 O ATOM 637 CB LYS A 103 1.729 5.176 6.284 1.00 0.00 C ATOM 638 CG LYS A 103 2.018 4.631 7.672 1.00 0.00 C ATOM 639 CD LYS A 103 0.838 4.833 8.608 1.00 0.00 C ATOM 640 CE LYS A 103 0.752 6.272 9.094 1.00 0.00 C ATOM 641 NZ LYS A 103 -0.052 6.389 10.342 1.00 0.00 N ATOM 0 H LYS A 103 1.219 5.433 3.859 1.00 0.00 H new ATOM 0 HA LYS A 103 3.613 4.792 5.325 1.00 0.00 H new ATOM 0 HB2 LYS A 103 1.912 6.251 6.280 1.00 0.00 H new ATOM 0 HB3 LYS A 103 0.672 5.032 6.059 1.00 0.00 H new ATOM 0 HG2 LYS A 103 2.253 3.569 7.605 1.00 0.00 H new ATOM 0 HG3 LYS A 103 2.898 5.126 8.082 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -0.085 4.566 8.094 1.00 0.00 H new ATOM 0 HD3 LYS A 103 0.932 4.164 9.463 1.00 0.00 H new ATOM 0 HE2 LYS A 103 1.757 6.656 9.272 1.00 0.00 H new ATOM 0 HE3 LYS A 103 0.307 6.892 8.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -0.087 7.385 10.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -1.018 6.046 10.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 0.386 5.818 11.092 1.00 0.00 H new ATOM 655 N CYS A 104 1.262 2.496 4.920 1.00 0.00 N ATOM 656 CA CYS A 104 1.010 1.060 4.954 1.00 0.00 C ATOM 657 C CYS A 104 2.103 0.299 4.209 1.00 0.00 C ATOM 658 O CYS A 104 2.778 -0.559 4.781 1.00 0.00 O ATOM 659 CB CYS A 104 -0.355 0.746 4.339 1.00 0.00 C ATOM 660 SG CYS A 104 -1.764 1.089 5.442 1.00 0.00 S ATOM 0 H CYS A 104 0.467 3.056 4.613 1.00 0.00 H new ATOM 0 HA CYS A 104 1.014 0.740 5.996 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -0.473 1.328 3.425 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -0.379 -0.305 4.052 1.00 0.00 H new ATOM 665 N LEU A 105 2.273 0.619 2.931 1.00 0.00 N ATOM 666 CA LEU A 105 3.284 -0.034 2.107 1.00 0.00 C ATOM 667 C LEU A 105 4.638 -0.038 2.808 1.00 0.00 C ATOM 668 O LEU A 105 5.227 -1.095 3.037 1.00 0.00 O ATOM 669 CB LEU A 105 3.399 0.669 0.753 1.00 0.00 C ATOM 670 CG LEU A 105 4.051 -0.138 -0.370 1.00 0.00 C ATOM 671 CD1 LEU A 105 3.152 -1.290 -0.791 1.00 0.00 C ATOM 672 CD2 LEU A 105 4.365 0.759 -1.558 1.00 0.00 C ATOM 0 H LEU A 105 1.724 1.327 2.443 1.00 0.00 H new ATOM 0 HA LEU A 105 2.976 -1.067 1.947 1.00 0.00 H new ATOM 0 HB2 LEU A 105 2.399 0.959 0.431 1.00 0.00 H new ATOM 0 HB3 LEU A 105 3.969 1.588 0.891 1.00 0.00 H new ATOM 0 HG LEU A 105 4.987 -0.553 0.003 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.633 -1.853 -1.591 1.00 0.00 H new ATOM 0 HD12 LEU A 105 2.979 -1.947 0.062 1.00 0.00 H new ATOM 0 HD13 LEU A 105 2.199 -0.897 -1.146 1.00 0.00 H new ATOM 0 HD21 LEU A 105 4.829 0.168 -2.348 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.443 1.204 -1.932 1.00 0.00 H new ATOM 0 HD23 LEU A 105 5.049 1.549 -1.247 1.00 0.00 H new ATOM 684 N ILE A 106 5.126 1.151 3.147 1.00 0.00 N ATOM 685 CA ILE A 106 6.410 1.284 3.825 1.00 0.00 C ATOM 686 C ILE A 106 6.533 0.284 4.970 1.00 0.00 C ATOM 687 O ILE A 106 7.540 -0.413 5.094 1.00 0.00 O ATOM 688 CB ILE A 106 6.609 2.707 4.379 1.00 0.00 C ATOM 689 CG1 ILE A 106 6.820 3.698 3.232 1.00 0.00 C ATOM 690 CG2 ILE A 106 7.788 2.741 5.340 1.00 0.00 C ATOM 691 CD1 ILE A 106 6.730 5.146 3.661 1.00 0.00 C ATOM 0 H ILE A 106 4.652 2.035 2.963 1.00 0.00 H new ATOM 0 HA ILE A 106 7.182 1.080 3.083 1.00 0.00 H new ATOM 0 HB ILE A 106 5.712 2.998 4.926 1.00 0.00 H new ATOM 0 HG12 ILE A 106 7.798 3.520 2.784 1.00 0.00 H new ATOM 0 HG13 ILE A 106 6.076 3.510 2.458 1.00 0.00 H new ATOM 0 HG21 ILE A 106 7.916 3.753 5.723 1.00 0.00 H new ATOM 0 HG22 ILE A 106 7.601 2.060 6.170 1.00 0.00 H new ATOM 0 HG23 ILE A 106 8.693 2.434 4.816 1.00 0.00 H new ATOM 0 HD11 ILE A 106 6.889 5.792 2.798 1.00 0.00 H new ATOM 0 HD12 ILE A 106 5.744 5.340 4.082 1.00 0.00 H new ATOM 0 HD13 ILE A 106 7.492 5.351 4.413 1.00 0.00 H new ATOM 703 N LYS A 107 5.501 0.216 5.803 1.00 0.00 N ATOM 704 CA LYS A 107 5.490 -0.701 6.937 1.00 0.00 C ATOM 705 C LYS A 107 5.520 -2.151 6.464 1.00 0.00 C ATOM 706 O LYS A 107 6.392 -2.924 6.861 1.00 0.00 O ATOM 707 CB LYS A 107 4.251 -0.461 7.802 1.00 0.00 C ATOM 708 CG LYS A 107 4.166 0.946 8.367 1.00 0.00 C ATOM 709 CD LYS A 107 4.913 1.064 9.685 1.00 0.00 C ATOM 710 CE LYS A 107 4.072 0.564 10.849 1.00 0.00 C ATOM 711 NZ LYS A 107 4.433 1.240 12.126 1.00 0.00 N ATOM 0 H LYS A 107 4.660 0.786 5.714 1.00 0.00 H new ATOM 0 HA LYS A 107 6.383 -0.513 7.533 1.00 0.00 H new ATOM 0 HB2 LYS A 107 3.359 -0.659 7.207 1.00 0.00 H new ATOM 0 HB3 LYS A 107 4.250 -1.175 8.626 1.00 0.00 H new ATOM 0 HG2 LYS A 107 4.580 1.653 7.648 1.00 0.00 H new ATOM 0 HG3 LYS A 107 3.121 1.217 8.515 1.00 0.00 H new ATOM 0 HD2 LYS A 107 5.839 0.492 9.632 1.00 0.00 H new ATOM 0 HD3 LYS A 107 5.190 2.104 9.855 1.00 0.00 H new ATOM 0 HE2 LYS A 107 3.017 0.734 10.634 1.00 0.00 H new ATOM 0 HE3 LYS A 107 4.206 -0.512 10.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 3.837 0.871 12.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 5.433 1.057 12.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 4.281 2.265 12.031 1.00 0.00 H new ATOM 725 N TRP A 108 4.565 -2.511 5.614 1.00 0.00 N ATOM 726 CA TRP A 108 4.484 -3.868 5.087 1.00 0.00 C ATOM 727 C TRP A 108 5.810 -4.290 4.464 1.00 0.00 C ATOM 728 O TRP A 108 6.186 -5.462 4.514 1.00 0.00 O ATOM 729 CB TRP A 108 3.364 -3.968 4.049 1.00 0.00 C ATOM 730 CG TRP A 108 3.184 -5.351 3.501 1.00 0.00 C ATOM 731 CD1 TRP A 108 3.568 -5.801 2.270 1.00 0.00 C ATOM 732 CD2 TRP A 108 2.573 -6.463 4.164 1.00 0.00 C ATOM 733 NE1 TRP A 108 3.232 -7.126 2.128 1.00 0.00 N ATOM 734 CE2 TRP A 108 2.621 -7.555 3.277 1.00 0.00 C ATOM 735 CE3 TRP A 108 1.991 -6.642 5.422 1.00 0.00 C ATOM 736 CZ2 TRP A 108 2.109 -8.807 3.609 1.00 0.00 C ATOM 737 CZ3 TRP A 108 1.483 -7.885 5.750 1.00 0.00 C ATOM 738 CH2 TRP A 108 1.545 -8.954 4.847 1.00 0.00 C ATOM 0 H TRP A 108 3.837 -1.882 5.275 1.00 0.00 H new ATOM 0 HA TRP A 108 4.263 -4.540 5.916 1.00 0.00 H new ATOM 0 HB2 TRP A 108 2.428 -3.640 4.502 1.00 0.00 H new ATOM 0 HB3 TRP A 108 3.578 -3.284 3.227 1.00 0.00 H new ATOM 0 HD1 TRP A 108 4.063 -5.203 1.519 1.00 0.00 H new ATOM 0 HE1 TRP A 108 3.409 -7.697 1.302 1.00 0.00 H new ATOM 0 HE3 TRP A 108 1.939 -5.824 6.125 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 2.155 -9.632 2.914 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 1.031 -8.035 6.719 1.00 0.00 H new ATOM 0 HH2 TRP A 108 1.140 -9.913 5.134 1.00 0.00 H new ATOM 749 N LEU A 109 6.515 -3.329 3.877 1.00 0.00 N ATOM 750 CA LEU A 109 7.801 -3.602 3.244 1.00 0.00 C ATOM 751 C LEU A 109 8.853 -3.972 4.284 1.00 0.00 C ATOM 752 O LEU A 109 9.694 -4.839 4.048 1.00 0.00 O ATOM 753 CB LEU A 109 8.266 -2.384 2.443 1.00 0.00 C ATOM 754 CG LEU A 109 7.492 -2.091 1.157 1.00 0.00 C ATOM 755 CD1 LEU A 109 7.846 -0.711 0.625 1.00 0.00 C ATOM 756 CD2 LEU A 109 7.776 -3.158 0.109 1.00 0.00 C ATOM 0 H LEU A 109 6.218 -2.354 3.826 1.00 0.00 H new ATOM 0 HA LEU A 109 7.673 -4.447 2.568 1.00 0.00 H new ATOM 0 HB2 LEU A 109 8.207 -1.507 3.087 1.00 0.00 H new ATOM 0 HB3 LEU A 109 9.317 -2.522 2.188 1.00 0.00 H new ATOM 0 HG LEU A 109 6.426 -2.108 1.384 1.00 0.00 H new ATOM 0 HD11 LEU A 109 7.286 -0.519 -0.290 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.592 0.043 1.370 1.00 0.00 H new ATOM 0 HD13 LEU A 109 8.914 -0.666 0.413 1.00 0.00 H new ATOM 0 HD21 LEU A 109 7.217 -2.934 -0.799 1.00 0.00 H new ATOM 0 HD22 LEU A 109 8.843 -3.173 -0.115 1.00 0.00 H new ATOM 0 HD23 LEU A 109 7.472 -4.133 0.491 1.00 0.00 H new ATOM 768 N GLU A 110 8.796 -3.312 5.437 1.00 0.00 N ATOM 769 CA GLU A 110 9.744 -3.574 6.514 1.00 0.00 C ATOM 770 C GLU A 110 9.740 -5.051 6.894 1.00 0.00 C ATOM 771 O GLU A 110 10.794 -5.673 7.025 1.00 0.00 O ATOM 772 CB GLU A 110 9.407 -2.719 7.738 1.00 0.00 C ATOM 773 CG GLU A 110 9.856 -1.273 7.612 1.00 0.00 C ATOM 774 CD GLU A 110 9.600 -0.472 8.874 1.00 0.00 C ATOM 775 OE1 GLU A 110 8.435 -0.087 9.106 1.00 0.00 O ATOM 776 OE2 GLU A 110 10.564 -0.229 9.629 1.00 0.00 O ATOM 0 H GLU A 110 8.104 -2.593 5.649 1.00 0.00 H new ATOM 0 HA GLU A 110 10.741 -3.311 6.160 1.00 0.00 H new ATOM 0 HB2 GLU A 110 8.330 -2.743 7.902 1.00 0.00 H new ATOM 0 HB3 GLU A 110 9.874 -3.160 8.619 1.00 0.00 H new ATOM 0 HG2 GLU A 110 10.920 -1.246 7.378 1.00 0.00 H new ATOM 0 HG3 GLU A 110 9.334 -0.806 6.777 1.00 0.00 H new ATOM 783 N VAL A 111 8.546 -5.608 7.072 1.00 0.00 N ATOM 784 CA VAL A 111 8.403 -7.012 7.437 1.00 0.00 C ATOM 785 C VAL A 111 8.480 -7.910 6.207 1.00 0.00 C ATOM 786 O VAL A 111 9.255 -8.866 6.172 1.00 0.00 O ATOM 787 CB VAL A 111 7.071 -7.270 8.166 1.00 0.00 C ATOM 788 CG1 VAL A 111 5.894 -6.929 7.264 1.00 0.00 C ATOM 789 CG2 VAL A 111 6.992 -8.714 8.636 1.00 0.00 C ATOM 0 H VAL A 111 7.663 -5.107 6.969 1.00 0.00 H new ATOM 0 HA VAL A 111 9.228 -7.250 8.109 1.00 0.00 H new ATOM 0 HB VAL A 111 7.025 -6.624 9.043 1.00 0.00 H new ATOM 0 HG11 VAL A 111 4.961 -7.118 7.796 1.00 0.00 H new ATOM 0 HG12 VAL A 111 5.945 -5.877 6.982 1.00 0.00 H new ATOM 0 HG13 VAL A 111 5.932 -7.547 6.367 1.00 0.00 H new ATOM 0 HG21 VAL A 111 6.044 -8.878 9.149 1.00 0.00 H new ATOM 0 HG22 VAL A 111 7.060 -9.381 7.776 1.00 0.00 H new ATOM 0 HG23 VAL A 111 7.815 -8.920 9.320 1.00 0.00 H new ATOM 799 N ARG A 112 7.670 -7.596 5.201 1.00 0.00 N ATOM 800 CA ARG A 112 7.645 -8.375 3.969 1.00 0.00 C ATOM 801 C ARG A 112 7.797 -7.470 2.750 1.00 0.00 C ATOM 802 O ARG A 112 7.004 -6.552 2.542 1.00 0.00 O ATOM 803 CB ARG A 112 6.342 -9.169 3.869 1.00 0.00 C ATOM 804 CG ARG A 112 6.385 -10.505 4.593 1.00 0.00 C ATOM 805 CD ARG A 112 5.233 -11.404 4.173 1.00 0.00 C ATOM 806 NE ARG A 112 5.129 -12.591 5.017 1.00 0.00 N ATOM 807 CZ ARG A 112 4.330 -13.618 4.747 1.00 0.00 C ATOM 808 NH1 ARG A 112 3.570 -13.602 3.661 1.00 0.00 N ATOM 809 NH2 ARG A 112 4.291 -14.663 5.564 1.00 0.00 N ATOM 0 H ARG A 112 7.023 -6.808 5.215 1.00 0.00 H new ATOM 0 HA ARG A 112 8.485 -9.070 3.991 1.00 0.00 H new ATOM 0 HB2 ARG A 112 5.529 -8.570 4.279 1.00 0.00 H new ATOM 0 HB3 ARG A 112 6.112 -9.342 2.818 1.00 0.00 H new ATOM 0 HG2 ARG A 112 7.332 -11.003 4.384 1.00 0.00 H new ATOM 0 HG3 ARG A 112 6.344 -10.338 5.669 1.00 0.00 H new ATOM 0 HD2 ARG A 112 4.300 -10.843 4.220 1.00 0.00 H new ATOM 0 HD3 ARG A 112 5.370 -11.708 3.135 1.00 0.00 H new ATOM 0 HE ARG A 112 5.701 -12.634 5.860 1.00 0.00 H new ATOM 0 HH11 ARG A 112 3.598 -12.800 3.031 1.00 0.00 H new ATOM 0 HH12 ARG A 112 2.957 -14.391 3.456 1.00 0.00 H new ATOM 0 HH21 ARG A 112 4.875 -14.679 6.400 1.00 0.00 H new ATOM 0 HH22 ARG A 112 3.677 -15.451 5.356 1.00 0.00 H new ATOM 823 N LYS A 113 8.822 -7.735 1.947 1.00 0.00 N ATOM 824 CA LYS A 113 9.079 -6.946 0.748 1.00 0.00 C ATOM 825 C LYS A 113 8.217 -7.427 -0.415 1.00 0.00 C ATOM 826 O LYS A 113 8.702 -7.587 -1.535 1.00 0.00 O ATOM 827 CB LYS A 113 10.559 -7.025 0.367 1.00 0.00 C ATOM 828 CG LYS A 113 11.031 -5.860 -0.484 1.00 0.00 C ATOM 829 CD LYS A 113 12.508 -5.574 -0.268 1.00 0.00 C ATOM 830 CE LYS A 113 13.383 -6.527 -1.066 1.00 0.00 C ATOM 831 NZ LYS A 113 14.740 -6.666 -0.469 1.00 0.00 N ATOM 0 H LYS A 113 9.489 -8.491 2.105 1.00 0.00 H new ATOM 0 HA LYS A 113 8.821 -5.909 0.964 1.00 0.00 H new ATOM 0 HB2 LYS A 113 11.158 -7.066 1.277 1.00 0.00 H new ATOM 0 HB3 LYS A 113 10.737 -7.955 -0.174 1.00 0.00 H new ATOM 0 HG2 LYS A 113 10.852 -6.081 -1.536 1.00 0.00 H new ATOM 0 HG3 LYS A 113 10.448 -4.971 -0.242 1.00 0.00 H new ATOM 0 HD2 LYS A 113 12.727 -4.547 -0.560 1.00 0.00 H new ATOM 0 HD3 LYS A 113 12.745 -5.662 0.792 1.00 0.00 H new ATOM 0 HE2 LYS A 113 12.905 -7.506 -1.113 1.00 0.00 H new ATOM 0 HE3 LYS A 113 13.472 -6.166 -2.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 15.306 -7.324 -1.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 15.206 -5.737 -0.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 14.657 -7.035 0.500 1.00 0.00 H new ATOM 845 N VAL A 114 6.936 -7.656 -0.142 1.00 0.00 N ATOM 846 CA VAL A 114 6.007 -8.117 -1.166 1.00 0.00 C ATOM 847 C VAL A 114 4.642 -7.457 -1.007 1.00 0.00 C ATOM 848 O VAL A 114 4.384 -6.770 -0.017 1.00 0.00 O ATOM 849 CB VAL A 114 5.833 -9.646 -1.120 1.00 0.00 C ATOM 850 CG1 VAL A 114 7.171 -10.342 -1.320 1.00 0.00 C ATOM 851 CG2 VAL A 114 5.194 -10.070 0.194 1.00 0.00 C ATOM 0 H VAL A 114 6.519 -7.530 0.780 1.00 0.00 H new ATOM 0 HA VAL A 114 6.434 -7.836 -2.129 1.00 0.00 H new ATOM 0 HB VAL A 114 5.170 -9.943 -1.933 1.00 0.00 H new ATOM 0 HG11 VAL A 114 7.028 -11.422 -1.284 1.00 0.00 H new ATOM 0 HG12 VAL A 114 7.585 -10.062 -2.289 1.00 0.00 H new ATOM 0 HG13 VAL A 114 7.859 -10.041 -0.530 1.00 0.00 H new ATOM 0 HG21 VAL A 114 5.078 -11.154 0.209 1.00 0.00 H new ATOM 0 HG22 VAL A 114 5.829 -9.761 1.024 1.00 0.00 H new ATOM 0 HG23 VAL A 114 4.216 -9.599 0.291 1.00 0.00 H new ATOM 861 N CYS A 115 3.770 -7.669 -1.987 1.00 0.00 N ATOM 862 CA CYS A 115 2.430 -7.095 -1.956 1.00 0.00 C ATOM 863 C CYS A 115 1.492 -7.947 -1.106 1.00 0.00 C ATOM 864 O CYS A 115 1.366 -9.157 -1.298 1.00 0.00 O ATOM 865 CB CYS A 115 1.874 -6.968 -3.376 1.00 0.00 C ATOM 866 SG CYS A 115 0.246 -6.157 -3.468 1.00 0.00 S ATOM 0 H CYS A 115 3.967 -8.234 -2.813 1.00 0.00 H new ATOM 0 HA CYS A 115 2.497 -6.103 -1.509 1.00 0.00 H new ATOM 0 HB2 CYS A 115 2.583 -6.405 -3.983 1.00 0.00 H new ATOM 0 HB3 CYS A 115 1.798 -7.963 -3.815 1.00 0.00 H new ATOM 871 N PRO A 116 0.818 -7.303 -0.142 1.00 0.00 N ATOM 872 CA PRO A 116 -0.120 -7.981 0.757 1.00 0.00 C ATOM 873 C PRO A 116 -1.387 -8.435 0.038 1.00 0.00 C ATOM 874 O PRO A 116 -2.359 -8.846 0.672 1.00 0.00 O ATOM 875 CB PRO A 116 -0.452 -6.909 1.799 1.00 0.00 C ATOM 876 CG PRO A 116 -0.216 -5.615 1.099 1.00 0.00 C ATOM 877 CD PRO A 116 0.919 -5.862 0.144 1.00 0.00 C ATOM 0 HA PRO A 116 0.307 -8.889 1.181 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -1.484 -6.993 2.138 1.00 0.00 H new ATOM 0 HB3 PRO A 116 0.182 -7.004 2.680 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -1.110 -5.290 0.567 1.00 0.00 H new ATOM 0 HG3 PRO A 116 0.036 -4.827 1.809 1.00 0.00 H new ATOM 0 HD2 PRO A 116 0.819 -5.265 -0.762 1.00 0.00 H new ATOM 0 HD3 PRO A 116 1.881 -5.607 0.589 1.00 0.00 H new ATOM 885 N LEU A 117 -1.368 -8.358 -1.288 1.00 0.00 N ATOM 886 CA LEU A 117 -2.515 -8.761 -2.093 1.00 0.00 C ATOM 887 C LEU A 117 -2.137 -9.882 -3.057 1.00 0.00 C ATOM 888 O LEU A 117 -2.596 -11.016 -2.918 1.00 0.00 O ATOM 889 CB LEU A 117 -3.061 -7.565 -2.874 1.00 0.00 C ATOM 890 CG LEU A 117 -4.102 -6.709 -2.150 1.00 0.00 C ATOM 891 CD1 LEU A 117 -4.427 -5.464 -2.961 1.00 0.00 C ATOM 892 CD2 LEU A 117 -5.363 -7.517 -1.882 1.00 0.00 C ATOM 0 H LEU A 117 -0.571 -8.020 -1.828 1.00 0.00 H new ATOM 0 HA LEU A 117 -3.288 -9.131 -1.419 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -2.224 -6.925 -3.152 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -3.503 -7.932 -3.800 1.00 0.00 H new ATOM 0 HG LEU A 117 -3.685 -6.395 -1.193 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -5.169 -4.868 -2.430 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -3.521 -4.875 -3.102 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -4.824 -5.756 -3.933 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -6.093 -6.892 -1.366 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -5.783 -7.860 -2.827 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -5.118 -8.378 -1.260 1.00 0.00 H new ATOM 904 N CYS A 118 -1.296 -9.557 -4.033 1.00 0.00 N ATOM 905 CA CYS A 118 -0.853 -10.536 -5.019 1.00 0.00 C ATOM 906 C CYS A 118 0.355 -11.315 -4.508 1.00 0.00 C ATOM 907 O CYS A 118 0.767 -12.305 -5.110 1.00 0.00 O ATOM 908 CB CYS A 118 -0.506 -9.841 -6.337 1.00 0.00 C ATOM 909 SG CYS A 118 0.759 -8.539 -6.180 1.00 0.00 S ATOM 0 H CYS A 118 -0.907 -8.623 -4.162 1.00 0.00 H new ATOM 0 HA CYS A 118 -1.669 -11.238 -5.190 1.00 0.00 H new ATOM 0 HB2 CYS A 118 -0.156 -10.589 -7.049 1.00 0.00 H new ATOM 0 HB3 CYS A 118 -1.413 -9.403 -6.754 1.00 0.00 H new ATOM 914 N ASN A 119 0.917 -10.860 -3.393 1.00 0.00 N ATOM 915 CA ASN A 119 2.078 -11.514 -2.800 1.00 0.00 C ATOM 916 C ASN A 119 3.209 -11.640 -3.816 1.00 0.00 C ATOM 917 O ASN A 119 3.875 -12.671 -3.893 1.00 0.00 O ATOM 918 CB ASN A 119 1.695 -12.898 -2.272 1.00 0.00 C ATOM 919 CG ASN A 119 0.825 -12.823 -1.033 1.00 0.00 C ATOM 920 OD1 ASN A 119 -0.074 -11.987 -0.941 1.00 0.00 O ATOM 921 ND2 ASN A 119 1.088 -13.701 -0.071 1.00 0.00 N ATOM 0 H ASN A 119 0.587 -10.041 -2.882 1.00 0.00 H new ATOM 0 HA ASN A 119 2.426 -10.899 -1.970 1.00 0.00 H new ATOM 0 HB2 ASN A 119 1.167 -13.448 -3.051 1.00 0.00 H new ATOM 0 HB3 ASN A 119 2.600 -13.460 -2.043 1.00 0.00 H new ATOM 0 HD21 ASN A 119 0.535 -13.699 0.786 1.00 0.00 H new ATOM 0 HD22 ASN A 119 1.843 -14.377 -0.190 1.00 0.00 H new ATOM 928 N MET A 120 3.419 -10.582 -4.593 1.00 0.00 N ATOM 929 CA MET A 120 4.471 -10.574 -5.604 1.00 0.00 C ATOM 930 C MET A 120 5.696 -9.813 -5.107 1.00 0.00 C ATOM 931 O MET A 120 5.590 -8.760 -4.478 1.00 0.00 O ATOM 932 CB MET A 120 3.957 -9.945 -6.900 1.00 0.00 C ATOM 933 CG MET A 120 4.646 -10.476 -8.147 1.00 0.00 C ATOM 934 SD MET A 120 3.879 -9.885 -9.668 1.00 0.00 S ATOM 935 CE MET A 120 4.862 -8.424 -9.998 1.00 0.00 C ATOM 0 H MET A 120 2.876 -9.720 -4.542 1.00 0.00 H new ATOM 0 HA MET A 120 4.761 -11.606 -5.800 1.00 0.00 H new ATOM 0 HB2 MET A 120 2.885 -10.126 -6.982 1.00 0.00 H new ATOM 0 HB3 MET A 120 4.095 -8.865 -6.850 1.00 0.00 H new ATOM 0 HG2 MET A 120 5.694 -10.178 -8.133 1.00 0.00 H new ATOM 0 HG3 MET A 120 4.625 -11.566 -8.133 1.00 0.00 H new ATOM 0 HE1 MET A 120 4.508 -7.946 -10.911 1.00 0.00 H new ATOM 0 HE2 MET A 120 4.770 -7.728 -9.165 1.00 0.00 H new ATOM 0 HE3 MET A 120 5.907 -8.708 -10.119 1.00 0.00 H new ATOM 945 N PRO A 121 6.888 -10.357 -5.393 1.00 0.00 N ATOM 946 CA PRO A 121 8.156 -9.746 -4.984 1.00 0.00 C ATOM 947 C PRO A 121 8.451 -8.458 -5.746 1.00 0.00 C ATOM 948 O PRO A 121 8.722 -8.484 -6.947 1.00 0.00 O ATOM 949 CB PRO A 121 9.194 -10.819 -5.326 1.00 0.00 C ATOM 950 CG PRO A 121 8.568 -11.618 -6.416 1.00 0.00 C ATOM 951 CD PRO A 121 7.090 -11.611 -6.138 1.00 0.00 C ATOM 0 HA PRO A 121 8.150 -9.459 -3.932 1.00 0.00 H new ATOM 0 HB2 PRO A 121 10.133 -10.372 -5.652 1.00 0.00 H new ATOM 0 HB3 PRO A 121 9.421 -11.441 -4.460 1.00 0.00 H new ATOM 0 HG2 PRO A 121 8.784 -11.183 -7.392 1.00 0.00 H new ATOM 0 HG3 PRO A 121 8.958 -12.636 -6.427 1.00 0.00 H new ATOM 0 HD2 PRO A 121 6.508 -11.629 -7.059 1.00 0.00 H new ATOM 0 HD3 PRO A 121 6.787 -12.479 -5.553 1.00 0.00 H new ATOM 959 N VAL A 122 8.397 -7.333 -5.041 1.00 0.00 N ATOM 960 CA VAL A 122 8.659 -6.035 -5.651 1.00 0.00 C ATOM 961 C VAL A 122 10.043 -5.519 -5.271 1.00 0.00 C ATOM 962 O VAL A 122 10.253 -5.038 -4.156 1.00 0.00 O ATOM 963 CB VAL A 122 7.603 -4.995 -5.234 1.00 0.00 C ATOM 964 CG1 VAL A 122 7.855 -3.667 -5.933 1.00 0.00 C ATOM 965 CG2 VAL A 122 6.203 -5.507 -5.535 1.00 0.00 C ATOM 0 H VAL A 122 8.174 -7.294 -4.046 1.00 0.00 H new ATOM 0 HA VAL A 122 8.611 -6.177 -6.731 1.00 0.00 H new ATOM 0 HB VAL A 122 7.683 -4.833 -4.159 1.00 0.00 H new ATOM 0 HG11 VAL A 122 7.099 -2.945 -5.626 1.00 0.00 H new ATOM 0 HG12 VAL A 122 8.843 -3.295 -5.662 1.00 0.00 H new ATOM 0 HG13 VAL A 122 7.804 -3.809 -7.013 1.00 0.00 H new ATOM 0 HG21 VAL A 122 5.469 -4.759 -5.234 1.00 0.00 H new ATOM 0 HG22 VAL A 122 6.108 -5.699 -6.604 1.00 0.00 H new ATOM 0 HG23 VAL A 122 6.027 -6.431 -4.983 1.00 0.00 H new ATOM 975 N LEU A 123 10.983 -5.621 -6.203 1.00 0.00 N ATOM 976 CA LEU A 123 12.348 -5.164 -5.967 1.00 0.00 C ATOM 977 C LEU A 123 12.704 -4.007 -6.895 1.00 0.00 C ATOM 978 O LEU A 123 12.903 -4.201 -8.094 1.00 0.00 O ATOM 979 CB LEU A 123 13.335 -6.316 -6.167 1.00 0.00 C ATOM 980 CG LEU A 123 13.413 -7.338 -5.033 1.00 0.00 C ATOM 981 CD1 LEU A 123 12.156 -8.193 -4.997 1.00 0.00 C ATOM 982 CD2 LEU A 123 14.650 -8.211 -5.186 1.00 0.00 C ATOM 0 H LEU A 123 10.825 -6.016 -7.130 1.00 0.00 H new ATOM 0 HA LEU A 123 12.414 -4.812 -4.937 1.00 0.00 H new ATOM 0 HB2 LEU A 123 13.069 -6.841 -7.084 1.00 0.00 H new ATOM 0 HB3 LEU A 123 14.329 -5.894 -6.318 1.00 0.00 H new ATOM 0 HG LEU A 123 13.488 -6.799 -4.089 1.00 0.00 H new ATOM 0 HD11 LEU A 123 12.230 -8.915 -4.183 1.00 0.00 H new ATOM 0 HD12 LEU A 123 11.286 -7.555 -4.838 1.00 0.00 H new ATOM 0 HD13 LEU A 123 12.049 -8.723 -5.943 1.00 0.00 H new ATOM 0 HD21 LEU A 123 14.689 -8.933 -4.370 1.00 0.00 H new ATOM 0 HD22 LEU A 123 14.606 -8.741 -6.137 1.00 0.00 H new ATOM 0 HD23 LEU A 123 15.542 -7.585 -5.160 1.00 0.00 H new ATOM 994 N GLN A 124 12.783 -2.806 -6.332 1.00 0.00 N ATOM 995 CA GLN A 124 13.116 -1.619 -7.110 1.00 0.00 C ATOM 996 C GLN A 124 14.171 -0.779 -6.397 1.00 0.00 C ATOM 997 O GLN A 124 14.124 -0.610 -5.177 1.00 0.00 O ATOM 998 CB GLN A 124 11.862 -0.779 -7.360 1.00 0.00 C ATOM 999 CG GLN A 124 12.123 0.473 -8.182 1.00 0.00 C ATOM 1000 CD GLN A 124 12.270 0.181 -9.662 1.00 0.00 C ATOM 1001 OE1 GLN A 124 11.290 -0.111 -10.349 1.00 0.00 O ATOM 1002 NE2 GLN A 124 13.498 0.256 -10.162 1.00 0.00 N ATOM 0 H GLN A 124 12.621 -2.629 -5.341 1.00 0.00 H new ATOM 0 HA GLN A 124 13.523 -1.945 -8.067 1.00 0.00 H new ATOM 0 HB2 GLN A 124 11.120 -1.392 -7.872 1.00 0.00 H new ATOM 0 HB3 GLN A 124 11.431 -0.491 -6.401 1.00 0.00 H new ATOM 0 HG2 GLN A 124 11.304 1.177 -8.034 1.00 0.00 H new ATOM 0 HG3 GLN A 124 13.029 0.958 -7.820 1.00 0.00 H new ATOM 0 HE21 GLN A 124 14.281 0.501 -9.556 1.00 0.00 H new ATOM 0 HE22 GLN A 124 13.658 0.068 -11.152 1.00 0.00 H new ATOM 1011 N LEU A 125 15.121 -0.256 -7.163 1.00 0.00 N ATOM 1012 CA LEU A 125 16.188 0.567 -6.605 1.00 0.00 C ATOM 1013 C LEU A 125 15.725 2.009 -6.421 1.00 0.00 C ATOM 1014 O LEU A 125 16.457 2.950 -6.726 1.00 0.00 O ATOM 1015 CB LEU A 125 17.419 0.526 -7.513 1.00 0.00 C ATOM 1016 CG LEU A 125 18.305 -0.714 -7.387 1.00 0.00 C ATOM 1017 CD1 LEU A 125 19.068 -0.693 -6.072 1.00 0.00 C ATOM 1018 CD2 LEU A 125 17.469 -1.980 -7.501 1.00 0.00 C ATOM 0 H LEU A 125 15.175 -0.387 -8.173 1.00 0.00 H new ATOM 0 HA LEU A 125 16.451 0.162 -5.628 1.00 0.00 H new ATOM 0 HB2 LEU A 125 17.085 0.606 -8.548 1.00 0.00 H new ATOM 0 HB3 LEU A 125 18.028 1.406 -7.306 1.00 0.00 H new ATOM 0 HG LEU A 125 19.028 -0.705 -8.203 1.00 0.00 H new ATOM 0 HD11 LEU A 125 19.693 -1.583 -6.000 1.00 0.00 H new ATOM 0 HD12 LEU A 125 19.697 0.196 -6.030 1.00 0.00 H new ATOM 0 HD13 LEU A 125 18.362 -0.677 -5.242 1.00 0.00 H new ATOM 0 HD21 LEU A 125 18.116 -2.853 -7.409 1.00 0.00 H new ATOM 0 HD22 LEU A 125 16.723 -1.996 -6.707 1.00 0.00 H new ATOM 0 HD23 LEU A 125 16.969 -2.000 -8.469 1.00 0.00 H new ATOM 1030 N ALA A 126 14.506 2.174 -5.918 1.00 0.00 N ATOM 1031 CA ALA A 126 13.947 3.500 -5.690 1.00 0.00 C ATOM 1032 C ALA A 126 14.575 4.157 -4.465 1.00 0.00 C ATOM 1033 O ALA A 126 14.901 5.343 -4.484 1.00 0.00 O ATOM 1034 CB ALA A 126 12.437 3.416 -5.530 1.00 0.00 C ATOM 0 H ALA A 126 13.887 1.405 -5.661 1.00 0.00 H new ATOM 0 HA ALA A 126 14.175 4.118 -6.559 1.00 0.00 H new ATOM 0 HB1 ALA A 126 12.033 4.414 -5.360 1.00 0.00 H new ATOM 0 HB2 ALA A 126 11.998 2.996 -6.435 1.00 0.00 H new ATOM 0 HB3 ALA A 126 12.196 2.778 -4.680 1.00 0.00 H new ATOM 1040 N GLN A 127 14.741 3.377 -3.401 1.00 0.00 N ATOM 1041 CA GLN A 127 15.328 3.885 -2.167 1.00 0.00 C ATOM 1042 C GLN A 127 16.842 3.700 -2.168 1.00 0.00 C ATOM 1043 O GLN A 127 17.343 2.593 -2.374 1.00 0.00 O ATOM 1044 CB GLN A 127 14.717 3.175 -0.957 1.00 0.00 C ATOM 1045 CG GLN A 127 14.691 4.030 0.300 1.00 0.00 C ATOM 1046 CD GLN A 127 16.009 4.006 1.049 1.00 0.00 C ATOM 1047 OE1 GLN A 127 16.972 4.666 0.656 1.00 0.00 O ATOM 1048 NE2 GLN A 127 16.060 3.244 2.135 1.00 0.00 N ATOM 0 H GLN A 127 14.477 2.392 -3.369 1.00 0.00 H new ATOM 0 HA GLN A 127 15.110 4.951 -2.103 1.00 0.00 H new ATOM 0 HB2 GLN A 127 13.699 2.870 -1.201 1.00 0.00 H new ATOM 0 HB3 GLN A 127 15.283 2.265 -0.756 1.00 0.00 H new ATOM 0 HG2 GLN A 127 14.449 5.058 0.031 1.00 0.00 H new ATOM 0 HG3 GLN A 127 13.897 3.678 0.958 1.00 0.00 H new ATOM 0 HE21 GLN A 127 15.238 2.714 2.425 1.00 0.00 H new ATOM 0 HE22 GLN A 127 16.921 3.189 2.679 1.00 0.00 H new ATOM 1057 N LEU A 128 17.566 4.790 -1.938 1.00 0.00 N ATOM 1058 CA LEU A 128 19.024 4.748 -1.914 1.00 0.00 C ATOM 1059 C LEU A 128 19.562 5.293 -0.594 1.00 0.00 C ATOM 1060 O LEU A 128 20.491 4.734 -0.012 1.00 0.00 O ATOM 1061 CB LEU A 128 19.597 5.552 -3.082 1.00 0.00 C ATOM 1062 CG LEU A 128 19.314 7.055 -3.066 1.00 0.00 C ATOM 1063 CD1 LEU A 128 20.416 7.797 -2.326 1.00 0.00 C ATOM 1064 CD2 LEU A 128 19.170 7.586 -4.484 1.00 0.00 C ATOM 0 H LEU A 128 17.168 5.713 -1.766 1.00 0.00 H new ATOM 0 HA LEU A 128 19.335 3.708 -2.011 1.00 0.00 H new ATOM 0 HB2 LEU A 128 20.677 5.406 -3.102 1.00 0.00 H new ATOM 0 HB3 LEU A 128 19.202 5.138 -4.010 1.00 0.00 H new ATOM 0 HG LEU A 128 18.374 7.223 -2.540 1.00 0.00 H new ATOM 0 HD11 LEU A 128 20.198 8.865 -2.325 1.00 0.00 H new ATOM 0 HD12 LEU A 128 20.471 7.437 -1.299 1.00 0.00 H new ATOM 0 HD13 LEU A 128 21.370 7.622 -2.823 1.00 0.00 H new ATOM 0 HD21 LEU A 128 18.969 8.657 -4.453 1.00 0.00 H new ATOM 0 HD22 LEU A 128 20.093 7.406 -5.035 1.00 0.00 H new ATOM 0 HD23 LEU A 128 18.345 7.076 -4.981 1.00 0.00 H new ATOM 1076 N SER A 129 18.970 6.388 -0.127 1.00 0.00 N ATOM 1077 CA SER A 129 19.391 7.010 1.123 1.00 0.00 C ATOM 1078 C SER A 129 18.185 7.500 1.918 1.00 0.00 C ATOM 1079 O SER A 129 17.421 8.345 1.453 1.00 0.00 O ATOM 1080 CB SER A 129 20.339 8.177 0.842 1.00 0.00 C ATOM 1081 OG SER A 129 20.875 8.700 2.046 1.00 0.00 O ATOM 0 H SER A 129 18.198 6.862 -0.595 1.00 0.00 H new ATOM 0 HA SER A 129 19.915 6.260 1.716 1.00 0.00 H new ATOM 0 HB2 SER A 129 21.150 7.843 0.194 1.00 0.00 H new ATOM 0 HB3 SER A 129 19.805 8.962 0.306 1.00 0.00 H new ATOM 0 HG SER A 129 21.479 9.444 1.839 1.00 0.00 H new ATOM 1087 N GLY A 130 18.020 6.962 3.123 1.00 0.00 N ATOM 1088 CA GLY A 130 16.906 7.355 3.965 1.00 0.00 C ATOM 1089 C GLY A 130 17.282 8.438 4.957 1.00 0.00 C ATOM 1090 O GLY A 130 18.450 8.611 5.306 1.00 0.00 O ATOM 0 H GLY A 130 18.639 6.261 3.531 1.00 0.00 H new ATOM 0 HA2 GLY A 130 16.088 7.709 3.338 1.00 0.00 H new ATOM 0 HA3 GLY A 130 16.538 6.483 4.506 1.00 0.00 H new ATOM 1094 N PRO A 131 16.277 9.191 5.427 1.00 0.00 N ATOM 1095 CA PRO A 131 16.484 10.277 6.390 1.00 0.00 C ATOM 1096 C PRO A 131 16.873 9.760 7.771 1.00 0.00 C ATOM 1097 O PRO A 131 17.815 10.258 8.388 1.00 0.00 O ATOM 1098 CB PRO A 131 15.120 10.969 6.443 1.00 0.00 C ATOM 1099 CG PRO A 131 14.145 9.915 6.047 1.00 0.00 C ATOM 1100 CD PRO A 131 14.860 9.040 5.055 1.00 0.00 C ATOM 0 HA PRO A 131 17.300 10.936 6.093 1.00 0.00 H new ATOM 0 HB2 PRO A 131 14.908 11.349 7.442 1.00 0.00 H new ATOM 0 HB3 PRO A 131 15.081 11.820 5.763 1.00 0.00 H new ATOM 0 HG2 PRO A 131 13.821 9.338 6.913 1.00 0.00 H new ATOM 0 HG3 PRO A 131 13.252 10.356 5.605 1.00 0.00 H new ATOM 0 HD2 PRO A 131 14.534 8.002 5.126 1.00 0.00 H new ATOM 0 HD3 PRO A 131 14.677 9.362 4.030 1.00 0.00 H new ATOM 1108 N SER A 132 16.142 8.759 8.251 1.00 0.00 N ATOM 1109 CA SER A 132 16.409 8.177 9.561 1.00 0.00 C ATOM 1110 C SER A 132 17.315 6.956 9.439 1.00 0.00 C ATOM 1111 O SER A 132 16.980 5.986 8.759 1.00 0.00 O ATOM 1112 CB SER A 132 15.097 7.786 10.245 1.00 0.00 C ATOM 1113 OG SER A 132 15.334 6.930 11.350 1.00 0.00 O ATOM 0 H SER A 132 15.360 8.334 7.752 1.00 0.00 H new ATOM 0 HA SER A 132 16.918 8.926 10.167 1.00 0.00 H new ATOM 0 HB2 SER A 132 14.577 8.683 10.581 1.00 0.00 H new ATOM 0 HB3 SER A 132 14.444 7.288 9.528 1.00 0.00 H new ATOM 0 HG SER A 132 14.481 6.696 11.771 1.00 0.00 H new ATOM 1119 N SER A 133 18.466 7.012 10.102 1.00 0.00 N ATOM 1120 CA SER A 133 19.424 5.913 10.065 1.00 0.00 C ATOM 1121 C SER A 133 19.760 5.439 11.476 1.00 0.00 C ATOM 1122 O SER A 133 19.975 6.245 12.380 1.00 0.00 O ATOM 1123 CB SER A 133 20.701 6.346 9.343 1.00 0.00 C ATOM 1124 OG SER A 133 20.411 6.838 8.046 1.00 0.00 O ATOM 0 H SER A 133 18.758 7.807 10.671 1.00 0.00 H new ATOM 0 HA SER A 133 18.970 5.085 9.520 1.00 0.00 H new ATOM 0 HB2 SER A 133 21.207 7.117 9.923 1.00 0.00 H new ATOM 0 HB3 SER A 133 21.386 5.501 9.270 1.00 0.00 H new ATOM 0 HG SER A 133 21.243 7.110 7.606 1.00 0.00 H new ATOM 1130 N GLY A 134 19.803 4.122 11.656 1.00 0.00 N ATOM 1131 CA GLY A 134 20.113 3.561 12.958 1.00 0.00 C ATOM 1132 C GLY A 134 19.705 2.106 13.074 1.00 0.00 C ATOM 1133 O GLY A 134 18.535 1.766 12.901 1.00 0.00 O ATOM 0 H GLY A 134 19.629 3.434 10.923 1.00 0.00 H new ATOM 0 HA2 GLY A 134 21.183 3.651 13.143 1.00 0.00 H new ATOM 0 HA3 GLY A 134 19.606 4.140 13.730 1.00 0.00 H new TER 1137 GLY A 134 HETATM 1138 ZN ZN A 200 -3.735 1.159 4.358 1.00 0.00 ZN HETATM 1139 ZN ZN A 300 -0.095 -6.505 -5.770 1.00 0.00 ZN