USER MOD reduce.3.24.130724 H: found=0, std=0, add=1010, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1010 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 103 GLN : amide:sc= -4.32 K(o=-13,f=-22!) USER MOD Set 1.2: A 104 GLN : amide:sc= -8.94! C(o=-13!,f=-20!) USER MOD Set 2.1: A 79 GLN :FLIP amide:sc= -0.881 F(o=-4.5,f=-1.6) USER MOD Set 2.2: A 92 ASN :FLIP amide:sc= -0.764 X(o=-1.8,f=-1.6) USER MOD Set 3.1: A 62 THR OG1 : rot 180:sc= 0.83 USER MOD Set 3.2: A 64 THR OG1 : rot -69:sc= 0.952 USER MOD Single : A 1 SER N :NH3+ -125:sc= 0.0961 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 160:sc= -0.882 USER MOD Single : A 13 ASN : amide:sc= -0.129 X(o=-0.13,f=0) USER MOD Single : A 14 ASN : amide:sc= -0.695 K(o=-0.7,f=-3.5!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 171:sc= -0.605 (180deg=-0.673) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -152:sc= -0.208 (180deg=-0.671) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= -0.193 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -131:sc= 0.401 (180deg=-0.00766) USER MOD Single : A 35 TYR OH : rot 165:sc= -1 USER MOD Single : A 37 SER OG : rot 42:sc= 1.26 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.37 X(o=-0.37,f=-0.11) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 145:sc= -0.219 (180deg=-1.44) USER MOD Single : A 54 LYS NZ :NH3+ 162:sc= 0.0117 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -7.93! C(o=-7.9!,f=-9.8!) USER MOD Single : A 63 GLN : amide:sc= -0.194 X(o=-0.19,f=0) USER MOD Single : A 67 TYR OH : rot 150:sc= 1.72 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 180:sc= -4.73! USER MOD Single : A 84 ASN :FLIP amide:sc= -2.34 F(o=-4,f=-2.3) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= -0.573 X(o=-0.57,f=-0.16) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 92:sc= 0.493 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 74:sc= 1.21 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ -165:sc= 0.744 (180deg=0.662) USER MOD Single : A 116 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0826) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 9.008 5.408 -16.231 1.00 0.00 N ATOM 2 CA SER A 1 8.006 4.785 -15.328 1.00 0.00 C ATOM 3 C SER A 1 8.335 5.066 -13.865 1.00 0.00 C ATOM 4 O SER A 1 9.198 5.889 -13.559 1.00 0.00 O ATOM 5 CB SER A 1 7.989 3.277 -15.586 1.00 0.00 C ATOM 6 OG SER A 1 7.832 2.997 -16.967 1.00 0.00 O ATOM 0 H1 SER A 1 8.523 6.021 -16.917 1.00 0.00 H new ATOM 0 H2 SER A 1 9.675 5.976 -15.670 1.00 0.00 H new ATOM 0 H3 SER A 1 9.528 4.664 -16.739 1.00 0.00 H new ATOM 0 HA SER A 1 7.024 5.212 -15.532 1.00 0.00 H new ATOM 0 HB2 SER A 1 8.917 2.833 -15.225 1.00 0.00 H new ATOM 0 HB3 SER A 1 7.176 2.818 -15.024 1.00 0.00 H new ATOM 0 HG SER A 1 7.826 2.027 -17.105 1.00 0.00 H new ATOM 14 N ARG A 2 7.640 4.377 -12.967 1.00 0.00 N ATOM 15 CA ARG A 2 7.859 4.551 -11.536 1.00 0.00 C ATOM 16 C ARG A 2 7.260 3.390 -10.749 1.00 0.00 C ATOM 17 O ARG A 2 6.735 2.442 -11.333 1.00 0.00 O ATOM 18 CB ARG A 2 7.255 5.877 -11.063 1.00 0.00 C ATOM 19 CG ARG A 2 5.801 6.071 -11.467 1.00 0.00 C ATOM 20 CD ARG A 2 5.679 6.586 -12.893 1.00 0.00 C ATOM 21 NE ARG A 2 6.561 7.724 -13.145 1.00 0.00 N ATOM 22 CZ ARG A 2 6.211 8.995 -12.952 1.00 0.00 C ATOM 23 NH1 ARG A 2 5.002 9.299 -12.496 1.00 0.00 N ATOM 24 NH2 ARG A 2 7.075 9.965 -13.216 1.00 0.00 N ATOM 0 H ARG A 2 6.921 3.694 -13.204 1.00 0.00 H new ATOM 0 HA ARG A 2 8.934 4.568 -11.356 1.00 0.00 H new ATOM 0 HB2 ARG A 2 7.331 5.933 -9.977 1.00 0.00 H new ATOM 0 HB3 ARG A 2 7.847 6.699 -11.466 1.00 0.00 H new ATOM 0 HG2 ARG A 2 5.268 5.125 -11.375 1.00 0.00 H new ATOM 0 HG3 ARG A 2 5.324 6.774 -10.784 1.00 0.00 H new ATOM 0 HD2 ARG A 2 5.917 5.782 -13.590 1.00 0.00 H new ATOM 0 HD3 ARG A 2 4.647 6.879 -13.085 1.00 0.00 H new ATOM 0 HE ARG A 2 7.502 7.533 -13.490 1.00 0.00 H new ATOM 0 HH11 ARG A 2 4.333 8.557 -12.291 1.00 0.00 H new ATOM 0 HH12 ARG A 2 4.742 10.275 -12.351 1.00 0.00 H new ATOM 0 HH21 ARG A 2 8.006 9.738 -13.566 1.00 0.00 H new ATOM 0 HH22 ARG A 2 6.809 10.939 -13.069 1.00 0.00 H new ATOM 38 N LEU A 3 7.341 3.472 -9.422 1.00 0.00 N ATOM 39 CA LEU A 3 6.804 2.429 -8.551 1.00 0.00 C ATOM 40 C LEU A 3 5.413 2.003 -9.006 1.00 0.00 C ATOM 41 O LEU A 3 4.461 2.775 -8.921 1.00 0.00 O ATOM 42 CB LEU A 3 6.748 2.929 -7.106 1.00 0.00 C ATOM 43 CG LEU A 3 7.071 1.878 -6.044 1.00 0.00 C ATOM 44 CD1 LEU A 3 8.503 1.389 -6.194 1.00 0.00 C ATOM 45 CD2 LEU A 3 6.840 2.446 -4.650 1.00 0.00 C ATOM 0 H LEU A 3 7.774 4.251 -8.926 1.00 0.00 H new ATOM 0 HA LEU A 3 7.465 1.564 -8.608 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.446 3.759 -6.998 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.751 3.324 -6.913 1.00 0.00 H new ATOM 0 HG LEU A 3 6.404 1.027 -6.184 1.00 0.00 H new ATOM 0 HD11 LEU A 3 8.714 0.641 -5.429 1.00 0.00 H new ATOM 0 HD12 LEU A 3 8.635 0.946 -7.181 1.00 0.00 H new ATOM 0 HD13 LEU A 3 9.188 2.229 -6.079 1.00 0.00 H new ATOM 0 HD21 LEU A 3 7.074 1.686 -3.904 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.483 3.313 -4.499 1.00 0.00 H new ATOM 0 HD23 LEU A 3 5.797 2.746 -4.548 1.00 0.00 H new ATOM 57 N GLU A 4 5.305 0.776 -9.500 1.00 0.00 N ATOM 58 CA GLU A 4 4.030 0.265 -9.974 1.00 0.00 C ATOM 59 C GLU A 4 3.996 -1.260 -9.944 1.00 0.00 C ATOM 60 O GLU A 4 5.036 -1.919 -9.935 1.00 0.00 O ATOM 61 CB GLU A 4 3.764 0.764 -11.399 1.00 0.00 C ATOM 62 CG GLU A 4 4.581 0.048 -12.465 1.00 0.00 C ATOM 63 CD GLU A 4 4.844 0.916 -13.679 1.00 0.00 C ATOM 64 OE1 GLU A 4 5.655 1.860 -13.571 1.00 0.00 O ATOM 65 OE2 GLU A 4 4.237 0.654 -14.739 1.00 0.00 O ATOM 0 H GLU A 4 6.082 0.121 -9.582 1.00 0.00 H new ATOM 0 HA GLU A 4 3.251 0.634 -9.307 1.00 0.00 H new ATOM 0 HB2 GLU A 4 2.705 0.642 -11.624 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.979 1.831 -11.446 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.532 -0.269 -12.037 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.055 -0.855 -12.776 1.00 0.00 H new ATOM 72 N GLY A 5 2.789 -1.810 -9.931 1.00 0.00 N ATOM 73 CA GLY A 5 2.622 -3.249 -9.905 1.00 0.00 C ATOM 74 C GLY A 5 1.323 -3.650 -9.243 1.00 0.00 C ATOM 75 O GLY A 5 0.360 -2.885 -9.248 1.00 0.00 O ATOM 0 H GLY A 5 1.917 -1.280 -9.938 1.00 0.00 H new ATOM 0 HA2 GLY A 5 2.646 -3.636 -10.924 1.00 0.00 H new ATOM 0 HA3 GLY A 5 3.457 -3.703 -9.372 1.00 0.00 H new ATOM 79 N TRP A 6 1.292 -4.842 -8.663 1.00 0.00 N ATOM 80 CA TRP A 6 0.094 -5.317 -7.991 1.00 0.00 C ATOM 81 C TRP A 6 0.375 -5.617 -6.529 1.00 0.00 C ATOM 82 O TRP A 6 1.257 -6.411 -6.204 1.00 0.00 O ATOM 83 CB TRP A 6 -0.457 -6.567 -8.673 1.00 0.00 C ATOM 84 CG TRP A 6 -0.640 -6.384 -10.139 1.00 0.00 C ATOM 85 CD1 TRP A 6 0.331 -6.440 -11.083 1.00 0.00 C ATOM 86 CD2 TRP A 6 -1.863 -6.104 -10.830 1.00 0.00 C ATOM 87 NE1 TRP A 6 -0.201 -6.205 -12.322 1.00 0.00 N ATOM 88 CE2 TRP A 6 -1.550 -6.000 -12.197 1.00 0.00 C ATOM 89 CE3 TRP A 6 -3.191 -5.933 -10.428 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -2.514 -5.733 -13.165 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -4.149 -5.666 -11.389 1.00 0.00 C ATOM 92 CH2 TRP A 6 -3.806 -5.570 -12.744 1.00 0.00 C ATOM 0 H TRP A 6 2.077 -5.493 -8.645 1.00 0.00 H new ATOM 0 HA TRP A 6 -0.652 -4.524 -8.053 1.00 0.00 H new ATOM 0 HB2 TRP A 6 0.221 -7.402 -8.496 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -1.413 -6.832 -8.221 1.00 0.00 H new ATOM 0 HD1 TRP A 6 1.374 -6.641 -10.886 1.00 0.00 H new ATOM 0 HE1 TRP A 6 0.322 -6.186 -13.197 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -3.464 -6.008 -9.386 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -2.252 -5.657 -14.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -5.178 -5.529 -11.090 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -4.577 -5.363 -13.471 1.00 0.00 H new ATOM 103 N LEU A 7 -0.394 -4.993 -5.653 1.00 0.00 N ATOM 104 CA LEU A 7 -0.247 -5.208 -4.225 1.00 0.00 C ATOM 105 C LEU A 7 -1.550 -5.743 -3.667 1.00 0.00 C ATOM 106 O LEU A 7 -2.622 -5.435 -4.177 1.00 0.00 O ATOM 107 CB LEU A 7 0.153 -3.922 -3.514 1.00 0.00 C ATOM 108 CG LEU A 7 1.539 -3.391 -3.880 1.00 0.00 C ATOM 109 CD1 LEU A 7 1.659 -1.926 -3.504 1.00 0.00 C ATOM 110 CD2 LEU A 7 2.621 -4.209 -3.190 1.00 0.00 C ATOM 0 H LEU A 7 -1.128 -4.332 -5.907 1.00 0.00 H new ATOM 0 HA LEU A 7 0.547 -5.935 -4.056 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.586 -3.154 -3.740 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.117 -4.092 -2.438 1.00 0.00 H new ATOM 0 HG LEU A 7 1.673 -3.483 -4.958 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.651 -1.562 -3.771 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.905 -1.350 -4.040 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.507 -1.812 -2.431 1.00 0.00 H new ATOM 0 HD21 LEU A 7 3.602 -3.818 -3.461 1.00 0.00 H new ATOM 0 HD22 LEU A 7 2.491 -4.146 -2.110 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.546 -5.250 -3.504 1.00 0.00 H new ATOM 122 N SER A 8 -1.451 -6.564 -2.640 1.00 0.00 N ATOM 123 CA SER A 8 -2.632 -7.177 -2.050 1.00 0.00 C ATOM 124 C SER A 8 -3.216 -6.330 -0.926 1.00 0.00 C ATOM 125 O SER A 8 -2.489 -5.778 -0.100 1.00 0.00 O ATOM 126 CB SER A 8 -2.296 -8.576 -1.532 1.00 0.00 C ATOM 127 OG SER A 8 -2.809 -9.576 -2.394 1.00 0.00 O ATOM 0 H SER A 8 -0.570 -6.823 -2.196 1.00 0.00 H new ATOM 0 HA SER A 8 -3.387 -7.249 -2.832 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.215 -8.685 -1.446 1.00 0.00 H new ATOM 0 HB3 SER A 8 -2.710 -8.706 -0.532 1.00 0.00 H new ATOM 0 HG SER A 8 -2.331 -10.417 -2.240 1.00 0.00 H new ATOM 133 N LEU A 9 -4.540 -6.240 -0.910 1.00 0.00 N ATOM 134 CA LEU A 9 -5.252 -5.471 0.099 1.00 0.00 C ATOM 135 C LEU A 9 -6.283 -6.346 0.807 1.00 0.00 C ATOM 136 O LEU A 9 -6.741 -7.345 0.253 1.00 0.00 O ATOM 137 CB LEU A 9 -5.940 -4.269 -0.548 1.00 0.00 C ATOM 138 CG LEU A 9 -5.001 -3.282 -1.242 1.00 0.00 C ATOM 139 CD1 LEU A 9 -4.792 -3.678 -2.695 1.00 0.00 C ATOM 140 CD2 LEU A 9 -5.550 -1.867 -1.145 1.00 0.00 C ATOM 0 H LEU A 9 -5.146 -6.696 -1.592 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.533 -5.114 0.837 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.663 -4.633 -1.278 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.502 -3.735 0.219 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.035 -3.310 -0.737 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.121 -2.965 -3.174 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.354 -4.675 -2.741 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.751 -3.679 -3.213 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.869 -1.178 -1.644 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.528 -1.822 -1.625 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.647 -1.586 -0.096 1.00 0.00 H new ATOM 152 N PRO A 10 -6.665 -5.985 2.043 1.00 0.00 N ATOM 153 CA PRO A 10 -7.648 -6.749 2.815 1.00 0.00 C ATOM 154 C PRO A 10 -9.003 -6.816 2.119 1.00 0.00 C ATOM 155 O PRO A 10 -9.731 -5.825 2.060 1.00 0.00 O ATOM 156 CB PRO A 10 -7.758 -5.980 4.138 1.00 0.00 C ATOM 157 CG PRO A 10 -7.216 -4.622 3.847 1.00 0.00 C ATOM 158 CD PRO A 10 -6.175 -4.811 2.782 1.00 0.00 C ATOM 0 HA PRO A 10 -7.341 -7.787 2.943 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.792 -5.927 4.478 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -7.188 -6.471 4.927 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.005 -3.952 3.506 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.782 -4.175 4.742 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.093 -3.935 2.139 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -5.188 -4.987 3.210 1.00 0.00 H new ATOM 166 N VAL A 11 -9.335 -7.991 1.591 1.00 0.00 N ATOM 167 CA VAL A 11 -10.601 -8.188 0.896 1.00 0.00 C ATOM 168 C VAL A 11 -11.619 -8.880 1.796 1.00 0.00 C ATOM 169 O VAL A 11 -11.266 -9.435 2.833 1.00 0.00 O ATOM 170 CB VAL A 11 -10.408 -9.015 -0.394 1.00 0.00 C ATOM 171 CG1 VAL A 11 -10.176 -10.487 -0.080 1.00 0.00 C ATOM 172 CG2 VAL A 11 -11.598 -8.842 -1.325 1.00 0.00 C ATOM 0 H VAL A 11 -8.743 -8.821 1.632 1.00 0.00 H new ATOM 0 HA VAL A 11 -10.978 -7.201 0.628 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.518 -8.641 -0.900 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -10.044 -11.041 -1.009 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -9.282 -10.591 0.535 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -11.036 -10.884 0.460 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.443 -9.433 -2.228 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -12.505 -9.179 -0.823 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -11.701 -7.790 -1.593 1.00 0.00 H new ATOM 182 N ARG A 12 -12.882 -8.844 1.386 1.00 0.00 N ATOM 183 CA ARG A 12 -13.948 -9.473 2.151 1.00 0.00 C ATOM 184 C ARG A 12 -14.904 -10.217 1.226 1.00 0.00 C ATOM 185 O ARG A 12 -15.878 -9.646 0.731 1.00 0.00 O ATOM 186 CB ARG A 12 -14.715 -8.426 2.963 1.00 0.00 C ATOM 187 CG ARG A 12 -13.889 -7.792 4.070 1.00 0.00 C ATOM 188 CD ARG A 12 -14.549 -6.532 4.607 1.00 0.00 C ATOM 189 NE ARG A 12 -15.511 -6.827 5.668 1.00 0.00 N ATOM 190 CZ ARG A 12 -16.787 -7.139 5.453 1.00 0.00 C ATOM 191 NH1 ARG A 12 -17.268 -7.196 4.216 1.00 0.00 N ATOM 192 NH2 ARG A 12 -17.586 -7.396 6.478 1.00 0.00 N ATOM 0 H ARG A 12 -13.191 -8.386 0.529 1.00 0.00 H new ATOM 0 HA ARG A 12 -13.497 -10.189 2.838 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -15.068 -7.644 2.291 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -15.597 -8.893 3.401 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -13.756 -8.508 4.881 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -12.896 -7.550 3.691 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -13.784 -5.857 4.989 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -15.055 -6.013 3.793 1.00 0.00 H new ATOM 0 HE ARG A 12 -15.184 -6.791 6.633 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -16.658 -7.000 3.422 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -18.247 -7.436 4.060 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -17.223 -7.355 7.430 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -18.564 -7.635 6.315 1.00 0.00 H new ATOM 206 N ASN A 13 -14.614 -11.493 0.990 1.00 0.00 N ATOM 207 CA ASN A 13 -15.437 -12.328 0.116 1.00 0.00 C ATOM 208 C ASN A 13 -16.927 -12.138 0.400 1.00 0.00 C ATOM 209 O ASN A 13 -17.722 -11.945 -0.520 1.00 0.00 O ATOM 210 CB ASN A 13 -15.058 -13.800 0.287 1.00 0.00 C ATOM 211 CG ASN A 13 -13.697 -14.118 -0.298 1.00 0.00 C ATOM 212 OD1 ASN A 13 -13.584 -14.522 -1.455 1.00 0.00 O ATOM 213 ND2 ASN A 13 -12.652 -13.937 0.501 1.00 0.00 N ATOM 0 H ASN A 13 -13.811 -11.975 1.394 1.00 0.00 H new ATOM 0 HA ASN A 13 -15.248 -12.021 -0.913 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -15.063 -14.053 1.347 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -15.812 -14.424 -0.193 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -11.711 -14.135 0.162 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -12.791 -13.600 1.454 1.00 0.00 H new ATOM 220 N ASN A 14 -17.297 -12.196 1.675 1.00 0.00 N ATOM 221 CA ASN A 14 -18.694 -12.030 2.070 1.00 0.00 C ATOM 222 C ASN A 14 -18.829 -10.989 3.178 1.00 0.00 C ATOM 223 O ASN A 14 -19.187 -9.839 2.920 1.00 0.00 O ATOM 224 CB ASN A 14 -19.290 -13.368 2.529 1.00 0.00 C ATOM 225 CG ASN A 14 -18.252 -14.311 3.110 1.00 0.00 C ATOM 226 OD1 ASN A 14 -18.143 -14.460 4.327 1.00 0.00 O ATOM 227 ND2 ASN A 14 -17.481 -14.951 2.238 1.00 0.00 N ATOM 0 H ASN A 14 -16.654 -12.356 2.450 1.00 0.00 H new ATOM 0 HA ASN A 14 -19.247 -11.680 1.199 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -20.060 -13.179 3.277 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -19.779 -13.851 1.683 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -16.764 -15.596 2.569 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -17.606 -14.797 1.237 1.00 0.00 H new ATOM 234 N THR A 15 -18.544 -11.397 4.411 1.00 0.00 N ATOM 235 CA THR A 15 -18.635 -10.496 5.554 1.00 0.00 C ATOM 236 C THR A 15 -17.577 -10.836 6.598 1.00 0.00 C ATOM 237 O THR A 15 -16.832 -9.966 7.048 1.00 0.00 O ATOM 238 CB THR A 15 -20.030 -10.571 6.180 1.00 0.00 C ATOM 239 OG1 THR A 15 -20.059 -9.890 7.422 1.00 0.00 O ATOM 240 CG2 THR A 15 -20.502 -11.988 6.422 1.00 0.00 C ATOM 0 H THR A 15 -18.248 -12.345 4.644 1.00 0.00 H new ATOM 0 HA THR A 15 -18.458 -9.480 5.200 1.00 0.00 H new ATOM 0 HB THR A 15 -20.697 -10.102 5.457 1.00 0.00 H new ATOM 0 HG1 THR A 15 -20.959 -9.948 7.806 1.00 0.00 H new ATOM 0 HG21 THR A 15 -21.497 -11.969 6.867 1.00 0.00 H new ATOM 0 HG22 THR A 15 -20.538 -12.526 5.475 1.00 0.00 H new ATOM 0 HG23 THR A 15 -19.811 -12.491 7.099 1.00 0.00 H new ATOM 248 N LYS A 16 -17.515 -12.108 6.975 1.00 0.00 N ATOM 249 CA LYS A 16 -16.548 -12.568 7.963 1.00 0.00 C ATOM 250 C LYS A 16 -15.267 -13.046 7.284 1.00 0.00 C ATOM 251 O LYS A 16 -14.185 -12.987 7.867 1.00 0.00 O ATOM 252 CB LYS A 16 -17.146 -13.694 8.809 1.00 0.00 C ATOM 253 CG LYS A 16 -17.563 -13.252 10.202 1.00 0.00 C ATOM 254 CD LYS A 16 -18.754 -14.051 10.707 1.00 0.00 C ATOM 255 CE LYS A 16 -20.056 -13.289 10.522 1.00 0.00 C ATOM 256 NZ LYS A 16 -21.188 -13.944 11.231 1.00 0.00 N ATOM 0 H LYS A 16 -18.125 -12.840 6.610 1.00 0.00 H new ATOM 0 HA LYS A 16 -16.302 -11.730 8.615 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -18.014 -14.104 8.292 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -16.416 -14.499 8.895 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -16.725 -13.372 10.889 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -17.814 -12.191 10.188 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -18.808 -15.001 10.175 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -18.615 -14.285 11.763 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -19.936 -12.271 10.892 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -20.286 -13.217 9.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -22.057 -13.394 11.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -21.319 -14.907 10.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -20.980 -13.990 12.249 1.00 0.00 H new ATOM 270 N LYS A 17 -15.399 -13.520 6.048 1.00 0.00 N ATOM 271 CA LYS A 17 -14.254 -14.007 5.290 1.00 0.00 C ATOM 272 C LYS A 17 -13.474 -12.848 4.677 1.00 0.00 C ATOM 273 O LYS A 17 -14.057 -11.918 4.121 1.00 0.00 O ATOM 274 CB LYS A 17 -14.717 -14.968 4.192 1.00 0.00 C ATOM 275 CG LYS A 17 -13.926 -16.264 4.145 1.00 0.00 C ATOM 276 CD LYS A 17 -12.503 -16.032 3.662 1.00 0.00 C ATOM 277 CE LYS A 17 -11.490 -16.750 4.539 1.00 0.00 C ATOM 278 NZ LYS A 17 -11.025 -15.897 5.666 1.00 0.00 N ATOM 0 H LYS A 17 -16.288 -13.577 5.551 1.00 0.00 H new ATOM 0 HA LYS A 17 -13.594 -14.540 5.975 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -15.771 -15.201 4.345 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -14.638 -14.469 3.226 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -13.905 -16.715 5.137 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -14.425 -16.972 3.483 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -12.406 -16.380 2.634 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -12.289 -14.963 3.658 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.936 -17.663 4.935 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.634 -17.049 3.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.457 -16.469 6.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.445 -15.117 5.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.848 -15.507 6.169 1.00 0.00 H new ATOM 292 N PHE A 18 -12.151 -12.913 4.783 1.00 0.00 N ATOM 293 CA PHE A 18 -11.285 -11.871 4.239 1.00 0.00 C ATOM 294 C PHE A 18 -9.909 -12.434 3.899 1.00 0.00 C ATOM 295 O PHE A 18 -9.301 -13.147 4.698 1.00 0.00 O ATOM 296 CB PHE A 18 -11.145 -10.713 5.233 1.00 0.00 C ATOM 297 CG PHE A 18 -11.153 -11.141 6.675 1.00 0.00 C ATOM 298 CD1 PHE A 18 -10.064 -11.800 7.223 1.00 0.00 C ATOM 299 CD2 PHE A 18 -12.252 -10.885 7.480 1.00 0.00 C ATOM 300 CE1 PHE A 18 -10.070 -12.193 8.549 1.00 0.00 C ATOM 301 CE2 PHE A 18 -12.263 -11.276 8.806 1.00 0.00 C ATOM 302 CZ PHE A 18 -11.171 -11.931 9.340 1.00 0.00 C ATOM 0 H PHE A 18 -11.654 -13.677 5.241 1.00 0.00 H new ATOM 0 HA PHE A 18 -11.744 -11.496 3.324 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -10.216 -10.181 5.027 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -11.959 -10.007 5.070 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -9.201 -12.009 6.608 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -13.109 -10.374 7.067 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -9.215 -12.704 8.965 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -13.125 -11.069 9.423 1.00 0.00 H new ATOM 0 HZ PHE A 18 -11.178 -12.238 10.375 1.00 0.00 H new ATOM 312 N GLY A 19 -9.429 -12.107 2.706 1.00 0.00 N ATOM 313 CA GLY A 19 -8.129 -12.584 2.270 1.00 0.00 C ATOM 314 C GLY A 19 -7.274 -11.479 1.684 1.00 0.00 C ATOM 315 O GLY A 19 -7.054 -10.450 2.323 1.00 0.00 O ATOM 0 H GLY A 19 -9.917 -11.519 2.031 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.608 -13.033 3.115 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.264 -13.369 1.525 1.00 0.00 H new ATOM 319 N TRP A 20 -6.791 -11.691 0.463 1.00 0.00 N ATOM 320 CA TRP A 20 -5.955 -10.700 -0.206 1.00 0.00 C ATOM 321 C TRP A 20 -6.303 -10.597 -1.687 1.00 0.00 C ATOM 322 O TRP A 20 -6.722 -11.573 -2.311 1.00 0.00 O ATOM 323 CB TRP A 20 -4.475 -11.052 -0.055 1.00 0.00 C ATOM 324 CG TRP A 20 -4.008 -11.085 1.369 1.00 0.00 C ATOM 325 CD1 TRP A 20 -3.557 -12.173 2.059 1.00 0.00 C ATOM 326 CD2 TRP A 20 -3.942 -9.978 2.274 1.00 0.00 C ATOM 327 NE1 TRP A 20 -3.212 -11.808 3.338 1.00 0.00 N ATOM 328 CE2 TRP A 20 -3.441 -10.467 3.495 1.00 0.00 C ATOM 329 CE3 TRP A 20 -4.256 -8.620 2.170 1.00 0.00 C ATOM 330 CZ2 TRP A 20 -3.248 -9.646 4.603 1.00 0.00 C ATOM 331 CZ3 TRP A 20 -4.064 -7.806 3.272 1.00 0.00 C ATOM 332 CH2 TRP A 20 -3.563 -8.322 4.473 1.00 0.00 C ATOM 0 H TRP A 20 -6.963 -12.536 -0.081 1.00 0.00 H new ATOM 0 HA TRP A 20 -6.146 -9.737 0.267 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -4.293 -12.025 -0.511 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -3.879 -10.325 -0.607 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -3.482 -13.173 1.659 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -2.845 -12.434 4.054 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -4.641 -8.214 1.247 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -2.863 -10.041 5.532 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -4.305 -6.755 3.205 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -3.422 -7.660 5.315 1.00 0.00 H new ATOM 343 N VAL A 21 -6.115 -9.407 -2.243 1.00 0.00 N ATOM 344 CA VAL A 21 -6.392 -9.159 -3.653 1.00 0.00 C ATOM 345 C VAL A 21 -5.401 -8.145 -4.209 1.00 0.00 C ATOM 346 O VAL A 21 -5.401 -6.985 -3.797 1.00 0.00 O ATOM 347 CB VAL A 21 -7.827 -8.637 -3.863 1.00 0.00 C ATOM 348 CG1 VAL A 21 -8.035 -7.324 -3.119 1.00 0.00 C ATOM 349 CG2 VAL A 21 -8.128 -8.473 -5.346 1.00 0.00 C ATOM 0 H VAL A 21 -5.769 -8.593 -1.735 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.289 -10.107 -4.182 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.522 -9.372 -3.456 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -9.054 -6.972 -3.280 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.869 -7.480 -2.053 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.331 -6.580 -3.491 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.146 -8.104 -5.472 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.427 -7.762 -5.783 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.027 -9.436 -5.846 1.00 0.00 H new ATOM 359 N LYS A 22 -4.542 -8.580 -5.127 1.00 0.00 N ATOM 360 CA LYS A 22 -3.550 -7.688 -5.692 1.00 0.00 C ATOM 361 C LYS A 22 -4.168 -6.704 -6.681 1.00 0.00 C ATOM 362 O LYS A 22 -4.572 -7.075 -7.782 1.00 0.00 O ATOM 363 CB LYS A 22 -2.431 -8.483 -6.367 1.00 0.00 C ATOM 364 CG LYS A 22 -2.847 -9.144 -7.666 1.00 0.00 C ATOM 365 CD LYS A 22 -1.805 -10.136 -8.138 1.00 0.00 C ATOM 366 CE LYS A 22 -1.295 -9.763 -9.515 1.00 0.00 C ATOM 367 NZ LYS A 22 -0.577 -10.892 -10.171 1.00 0.00 N ATOM 0 H LYS A 22 -4.517 -9.534 -5.488 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.129 -7.111 -4.869 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.591 -7.816 -6.562 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.076 -9.249 -5.678 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -3.801 -9.653 -7.528 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -3.000 -8.383 -8.431 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.975 -10.162 -7.432 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.234 -11.138 -8.163 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.133 -9.455 -10.140 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.626 -8.907 -9.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.245 -10.593 -11.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.238 -11.170 -9.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.222 -11.701 -10.273 1.00 0.00 H new ATOM 381 N LYS A 23 -4.217 -5.438 -6.283 1.00 0.00 N ATOM 382 CA LYS A 23 -4.751 -4.389 -7.136 1.00 0.00 C ATOM 383 C LYS A 23 -3.599 -3.620 -7.757 1.00 0.00 C ATOM 384 O LYS A 23 -2.543 -3.471 -7.142 1.00 0.00 O ATOM 385 CB LYS A 23 -5.647 -3.441 -6.338 1.00 0.00 C ATOM 386 CG LYS A 23 -6.816 -4.135 -5.658 1.00 0.00 C ATOM 387 CD LYS A 23 -8.064 -4.095 -6.525 1.00 0.00 C ATOM 388 CE LYS A 23 -9.313 -3.852 -5.692 1.00 0.00 C ATOM 389 NZ LYS A 23 -9.658 -5.031 -4.852 1.00 0.00 N ATOM 0 H LYS A 23 -3.892 -5.115 -5.372 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.357 -4.843 -7.920 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.045 -2.937 -5.582 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.032 -2.670 -7.006 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.552 -5.171 -5.445 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.020 -3.654 -4.701 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.964 -3.307 -7.272 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.163 -5.036 -7.066 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.159 -2.983 -5.052 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.149 -3.619 -6.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.684 -5.048 -4.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -9.373 -5.902 -5.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.158 -4.967 -3.942 1.00 0.00 H new ATOM 403 N TYR A 24 -3.784 -3.148 -8.979 1.00 0.00 N ATOM 404 CA TYR A 24 -2.728 -2.415 -9.659 1.00 0.00 C ATOM 405 C TYR A 24 -2.462 -1.073 -8.993 1.00 0.00 C ATOM 406 O TYR A 24 -3.210 -0.113 -9.175 1.00 0.00 O ATOM 407 CB TYR A 24 -3.062 -2.209 -11.135 1.00 0.00 C ATOM 408 CG TYR A 24 -1.836 -2.235 -12.022 1.00 0.00 C ATOM 409 CD1 TYR A 24 -0.639 -1.672 -11.595 1.00 0.00 C ATOM 410 CD2 TYR A 24 -1.871 -2.827 -13.276 1.00 0.00 C ATOM 411 CE1 TYR A 24 0.486 -1.697 -12.394 1.00 0.00 C ATOM 412 CE2 TYR A 24 -0.748 -2.857 -14.081 1.00 0.00 C ATOM 413 CZ TYR A 24 0.427 -2.291 -13.636 1.00 0.00 C ATOM 414 OH TYR A 24 1.548 -2.319 -14.435 1.00 0.00 O ATOM 0 H TYR A 24 -4.645 -3.257 -9.516 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.823 -3.018 -9.587 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.755 -2.986 -11.458 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -3.573 -1.254 -11.257 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -0.588 -1.207 -10.621 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -2.790 -3.271 -13.629 1.00 0.00 H new ATOM 0 HE1 TYR A 24 1.408 -1.253 -12.048 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -0.791 -3.322 -15.055 1.00 0.00 H new ATOM 0 HH TYR A 24 1.338 -2.775 -15.277 1.00 0.00 H new ATOM 424 N VAL A 25 -1.374 -1.016 -8.235 1.00 0.00 N ATOM 425 CA VAL A 25 -0.979 0.206 -7.550 1.00 0.00 C ATOM 426 C VAL A 25 0.206 0.846 -8.257 1.00 0.00 C ATOM 427 O VAL A 25 1.176 0.169 -8.596 1.00 0.00 O ATOM 428 CB VAL A 25 -0.599 -0.059 -6.080 1.00 0.00 C ATOM 429 CG1 VAL A 25 -0.461 1.251 -5.319 1.00 0.00 C ATOM 430 CG2 VAL A 25 -1.622 -0.967 -5.415 1.00 0.00 C ATOM 0 H VAL A 25 -0.748 -1.806 -8.079 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.837 0.878 -7.571 1.00 0.00 H new ATOM 0 HB VAL A 25 0.365 -0.567 -6.061 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.192 1.044 -4.283 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.317 1.860 -5.781 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.408 1.790 -5.347 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.334 -1.141 -4.378 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.603 -0.493 -5.445 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.663 -1.919 -5.945 1.00 0.00 H new ATOM 440 N ILE A 26 0.128 2.151 -8.477 1.00 0.00 N ATOM 441 CA ILE A 26 1.207 2.866 -9.144 1.00 0.00 C ATOM 442 C ILE A 26 1.458 4.211 -8.475 1.00 0.00 C ATOM 443 O ILE A 26 0.600 5.095 -8.491 1.00 0.00 O ATOM 444 CB ILE A 26 0.898 3.085 -10.640 1.00 0.00 C ATOM 445 CG1 ILE A 26 0.207 1.852 -11.226 1.00 0.00 C ATOM 446 CG2 ILE A 26 2.175 3.393 -11.410 1.00 0.00 C ATOM 447 CD1 ILE A 26 -0.141 1.992 -12.693 1.00 0.00 C ATOM 0 H ILE A 26 -0.665 2.733 -8.206 1.00 0.00 H new ATOM 0 HA ILE A 26 2.102 2.250 -9.061 1.00 0.00 H new ATOM 0 HB ILE A 26 0.226 3.938 -10.732 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.856 0.986 -11.096 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.705 1.654 -10.662 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.937 3.544 -12.463 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.633 4.296 -11.008 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.870 2.559 -11.311 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.628 1.081 -13.040 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.815 2.838 -12.828 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.769 2.159 -13.269 1.00 0.00 H new ATOM 459 N VAL A 27 2.637 4.356 -7.882 1.00 0.00 N ATOM 460 CA VAL A 27 3.003 5.589 -7.200 1.00 0.00 C ATOM 461 C VAL A 27 3.619 6.590 -8.170 1.00 0.00 C ATOM 462 O VAL A 27 4.773 6.447 -8.575 1.00 0.00 O ATOM 463 CB VAL A 27 4.000 5.325 -6.055 1.00 0.00 C ATOM 464 CG1 VAL A 27 4.173 6.569 -5.199 1.00 0.00 C ATOM 465 CG2 VAL A 27 3.545 4.146 -5.210 1.00 0.00 C ATOM 0 H VAL A 27 3.356 3.633 -7.860 1.00 0.00 H new ATOM 0 HA VAL A 27 2.085 6.004 -6.784 1.00 0.00 H new ATOM 0 HB VAL A 27 4.967 5.076 -6.492 1.00 0.00 H new ATOM 0 HG11 VAL A 27 4.881 6.363 -4.396 1.00 0.00 H new ATOM 0 HG12 VAL A 27 4.551 7.385 -5.815 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.211 6.853 -4.771 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.262 3.976 -4.407 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.566 4.361 -4.782 1.00 0.00 H new ATOM 0 HG23 VAL A 27 3.480 3.255 -5.834 1.00 0.00 H new ATOM 475 N SER A 28 2.844 7.602 -8.537 1.00 0.00 N ATOM 476 CA SER A 28 3.314 8.631 -9.457 1.00 0.00 C ATOM 477 C SER A 28 4.023 9.749 -8.702 1.00 0.00 C ATOM 478 O SER A 28 3.917 9.851 -7.480 1.00 0.00 O ATOM 479 CB SER A 28 2.143 9.202 -10.259 1.00 0.00 C ATOM 480 OG SER A 28 2.580 10.221 -11.142 1.00 0.00 O ATOM 0 H SER A 28 1.886 7.733 -8.212 1.00 0.00 H new ATOM 0 HA SER A 28 4.025 8.173 -10.145 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.664 8.405 -10.827 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.393 9.603 -9.578 1.00 0.00 H new ATOM 0 HG SER A 28 1.814 10.569 -11.645 1.00 0.00 H new ATOM 486 N SER A 29 4.747 10.583 -9.439 1.00 0.00 N ATOM 487 CA SER A 29 5.479 11.696 -8.841 1.00 0.00 C ATOM 488 C SER A 29 4.550 12.599 -8.035 1.00 0.00 C ATOM 489 O SER A 29 3.727 13.322 -8.597 1.00 0.00 O ATOM 490 CB SER A 29 6.182 12.512 -9.928 1.00 0.00 C ATOM 491 OG SER A 29 7.410 11.912 -10.302 1.00 0.00 O ATOM 0 H SER A 29 4.844 10.511 -10.452 1.00 0.00 H new ATOM 0 HA SER A 29 6.225 11.280 -8.163 1.00 0.00 H new ATOM 0 HB2 SER A 29 5.534 12.596 -10.800 1.00 0.00 H new ATOM 0 HB3 SER A 29 6.363 13.524 -9.567 1.00 0.00 H new ATOM 0 HG SER A 29 7.839 12.451 -10.999 1.00 0.00 H new ATOM 497 N LYS A 30 4.690 12.553 -6.714 1.00 0.00 N ATOM 498 CA LYS A 30 3.871 13.369 -5.824 1.00 0.00 C ATOM 499 C LYS A 30 2.389 13.034 -5.969 1.00 0.00 C ATOM 500 O LYS A 30 1.534 13.916 -5.893 1.00 0.00 O ATOM 501 CB LYS A 30 4.098 14.854 -6.108 1.00 0.00 C ATOM 502 CG LYS A 30 5.430 15.377 -5.590 1.00 0.00 C ATOM 503 CD LYS A 30 5.395 15.600 -4.085 1.00 0.00 C ATOM 504 CE LYS A 30 5.419 17.080 -3.739 1.00 0.00 C ATOM 505 NZ LYS A 30 6.802 17.632 -3.755 1.00 0.00 N ATOM 0 H LYS A 30 5.365 11.957 -6.235 1.00 0.00 H new ATOM 0 HA LYS A 30 4.171 13.148 -4.800 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.045 15.022 -7.184 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.290 15.429 -5.655 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.221 14.668 -5.835 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.674 16.313 -6.092 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.497 15.143 -3.669 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.248 15.104 -3.623 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.801 17.629 -4.449 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.980 17.229 -2.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.775 18.643 -3.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 7.386 17.126 -3.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.212 17.513 -4.703 1.00 0.00 H new ATOM 519 N LYS A 31 2.089 11.755 -6.176 1.00 0.00 N ATOM 520 CA LYS A 31 0.709 11.310 -6.326 1.00 0.00 C ATOM 521 C LYS A 31 0.634 9.792 -6.459 1.00 0.00 C ATOM 522 O LYS A 31 1.368 9.193 -7.242 1.00 0.00 O ATOM 523 CB LYS A 31 0.068 11.972 -7.547 1.00 0.00 C ATOM 524 CG LYS A 31 -1.443 11.814 -7.603 1.00 0.00 C ATOM 525 CD LYS A 31 -2.133 12.688 -6.569 1.00 0.00 C ATOM 526 CE LYS A 31 -2.208 14.136 -7.024 1.00 0.00 C ATOM 527 NZ LYS A 31 -2.181 15.082 -5.876 1.00 0.00 N ATOM 0 H LYS A 31 2.783 11.010 -6.243 1.00 0.00 H new ATOM 0 HA LYS A 31 0.161 11.604 -5.431 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.314 13.034 -7.545 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.503 11.546 -8.451 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.801 12.076 -8.599 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.707 10.770 -7.433 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.139 12.311 -6.385 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.593 12.630 -5.624 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.373 14.351 -7.690 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.122 14.289 -7.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.952 15.773 -5.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.303 14.554 -4.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.269 15.582 -5.859 1.00 0.00 H new ATOM 541 N ILE A 32 -0.264 9.183 -5.695 1.00 0.00 N ATOM 542 CA ILE A 32 -0.448 7.736 -5.729 1.00 0.00 C ATOM 543 C ILE A 32 -1.722 7.377 -6.484 1.00 0.00 C ATOM 544 O ILE A 32 -2.731 8.076 -6.379 1.00 0.00 O ATOM 545 CB ILE A 32 -0.516 7.139 -4.309 1.00 0.00 C ATOM 546 CG1 ILE A 32 0.515 7.805 -3.395 1.00 0.00 C ATOM 547 CG2 ILE A 32 -0.294 5.634 -4.356 1.00 0.00 C ATOM 548 CD1 ILE A 32 0.471 7.306 -1.968 1.00 0.00 C ATOM 0 H ILE A 32 -0.878 9.670 -5.042 1.00 0.00 H new ATOM 0 HA ILE A 32 0.415 7.314 -6.243 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.509 7.330 -3.901 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.512 7.633 -3.800 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.350 8.882 -3.400 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.345 5.227 -3.346 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.065 5.172 -4.973 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.687 5.424 -4.783 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.229 7.822 -1.379 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.514 7.502 -1.544 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.666 6.234 -1.951 1.00 0.00 H new ATOM 560 N LEU A 33 -1.671 6.295 -7.251 1.00 0.00 N ATOM 561 CA LEU A 33 -2.825 5.860 -8.028 1.00 0.00 C ATOM 562 C LEU A 33 -3.201 4.419 -7.699 1.00 0.00 C ATOM 563 O LEU A 33 -2.336 3.586 -7.428 1.00 0.00 O ATOM 564 CB LEU A 33 -2.537 6.001 -9.524 1.00 0.00 C ATOM 565 CG LEU A 33 -2.077 7.392 -9.963 1.00 0.00 C ATOM 566 CD1 LEU A 33 -0.599 7.586 -9.658 1.00 0.00 C ATOM 567 CD2 LEU A 33 -2.347 7.601 -11.445 1.00 0.00 C ATOM 0 H LEU A 33 -0.846 5.704 -7.352 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.669 6.498 -7.765 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.771 5.277 -9.802 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.438 5.740 -10.079 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.645 8.134 -9.402 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.289 8.581 -9.977 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.432 7.480 -8.586 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.016 6.836 -10.192 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.013 8.596 -11.739 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.806 6.851 -12.023 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.416 7.505 -11.637 1.00 0.00 H new ATOM 579 N PHE A 34 -4.499 4.136 -7.723 1.00 0.00 N ATOM 580 CA PHE A 34 -5.000 2.799 -7.426 1.00 0.00 C ATOM 581 C PHE A 34 -6.006 2.350 -8.479 1.00 0.00 C ATOM 582 O PHE A 34 -6.954 3.070 -8.793 1.00 0.00 O ATOM 583 CB PHE A 34 -5.652 2.771 -6.041 1.00 0.00 C ATOM 584 CG PHE A 34 -4.828 2.078 -4.996 1.00 0.00 C ATOM 585 CD1 PHE A 34 -4.964 0.716 -4.778 1.00 0.00 C ATOM 586 CD2 PHE A 34 -3.920 2.788 -4.228 1.00 0.00 C ATOM 587 CE1 PHE A 34 -4.210 0.076 -3.812 1.00 0.00 C ATOM 588 CE2 PHE A 34 -3.162 2.154 -3.262 1.00 0.00 C ATOM 589 CZ PHE A 34 -3.307 0.797 -3.054 1.00 0.00 C ATOM 0 H PHE A 34 -5.225 4.817 -7.946 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.154 2.111 -7.437 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -5.843 3.795 -5.719 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.619 2.274 -6.115 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.667 0.148 -5.369 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.803 3.850 -4.386 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.326 -0.985 -3.650 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -2.457 2.719 -2.671 1.00 0.00 H new ATOM 0 HZ PHE A 34 -2.715 0.299 -2.300 1.00 0.00 H new ATOM 599 N TYR A 35 -5.798 1.153 -9.013 1.00 0.00 N ATOM 600 CA TYR A 35 -6.689 0.597 -10.025 1.00 0.00 C ATOM 601 C TYR A 35 -7.176 -0.785 -9.609 1.00 0.00 C ATOM 602 O TYR A 35 -6.870 -1.258 -8.515 1.00 0.00 O ATOM 603 CB TYR A 35 -5.978 0.509 -11.377 1.00 0.00 C ATOM 604 CG TYR A 35 -5.465 1.836 -11.890 1.00 0.00 C ATOM 605 CD1 TYR A 35 -4.249 2.346 -11.456 1.00 0.00 C ATOM 606 CD2 TYR A 35 -6.197 2.576 -12.810 1.00 0.00 C ATOM 607 CE1 TYR A 35 -3.776 3.557 -11.924 1.00 0.00 C ATOM 608 CE2 TYR A 35 -5.730 3.787 -13.284 1.00 0.00 C ATOM 609 CZ TYR A 35 -4.519 4.272 -12.839 1.00 0.00 C ATOM 610 OH TYR A 35 -4.050 5.477 -13.309 1.00 0.00 O ATOM 0 H TYR A 35 -5.018 0.546 -8.761 1.00 0.00 H new ATOM 0 HA TYR A 35 -7.549 1.261 -10.120 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.141 -0.184 -11.291 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.666 0.089 -12.111 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.663 1.787 -10.741 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.146 2.199 -13.160 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.829 3.941 -11.575 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -6.311 4.350 -13.999 1.00 0.00 H new ATOM 0 HH TYR A 35 -4.556 5.736 -14.107 1.00 0.00 H new ATOM 620 N ASP A 36 -7.933 -1.431 -10.489 1.00 0.00 N ATOM 621 CA ASP A 36 -8.459 -2.763 -10.207 1.00 0.00 C ATOM 622 C ASP A 36 -8.320 -3.686 -11.418 1.00 0.00 C ATOM 623 O ASP A 36 -8.873 -4.785 -11.434 1.00 0.00 O ATOM 624 CB ASP A 36 -9.927 -2.676 -9.786 1.00 0.00 C ATOM 625 CG ASP A 36 -10.471 -4.007 -9.309 1.00 0.00 C ATOM 626 OD1 ASP A 36 -9.660 -4.882 -8.939 1.00 0.00 O ATOM 627 OD2 ASP A 36 -11.708 -4.175 -9.305 1.00 0.00 O ATOM 0 H ASP A 36 -8.196 -1.056 -11.401 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.874 -3.184 -9.390 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.031 -1.938 -8.991 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.523 -2.324 -10.628 1.00 0.00 H new ATOM 632 N SER A 37 -7.579 -3.236 -12.431 1.00 0.00 N ATOM 633 CA SER A 37 -7.372 -4.028 -13.640 1.00 0.00 C ATOM 634 C SER A 37 -6.623 -3.219 -14.695 1.00 0.00 C ATOM 635 O SER A 37 -6.486 -2.002 -14.576 1.00 0.00 O ATOM 636 CB SER A 37 -8.712 -4.505 -14.208 1.00 0.00 C ATOM 637 OG SER A 37 -9.053 -5.784 -13.703 1.00 0.00 O ATOM 0 H SER A 37 -7.113 -2.328 -12.437 1.00 0.00 H new ATOM 0 HA SER A 37 -6.771 -4.897 -13.373 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.494 -3.790 -13.953 1.00 0.00 H new ATOM 0 HB3 SER A 37 -8.657 -4.543 -15.296 1.00 0.00 H new ATOM 0 HG SER A 37 -8.846 -5.824 -12.746 1.00 0.00 H new ATOM 643 N GLU A 38 -6.141 -3.904 -15.726 1.00 0.00 N ATOM 644 CA GLU A 38 -5.409 -3.248 -16.803 1.00 0.00 C ATOM 645 C GLU A 38 -6.351 -2.431 -17.681 1.00 0.00 C ATOM 646 O GLU A 38 -5.948 -1.438 -18.285 1.00 0.00 O ATOM 647 CB GLU A 38 -4.672 -4.284 -17.652 1.00 0.00 C ATOM 648 CG GLU A 38 -3.323 -3.806 -18.161 1.00 0.00 C ATOM 649 CD GLU A 38 -3.449 -2.790 -19.279 1.00 0.00 C ATOM 650 OE1 GLU A 38 -4.294 -2.994 -20.175 1.00 0.00 O ATOM 651 OE2 GLU A 38 -2.702 -1.788 -19.259 1.00 0.00 O ATOM 0 H GLU A 38 -6.244 -4.913 -15.839 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.681 -2.572 -16.355 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.528 -5.189 -17.062 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.297 -4.555 -18.503 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.763 -3.366 -17.336 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.748 -4.662 -18.516 1.00 0.00 H new ATOM 658 N GLN A 39 -7.609 -2.856 -17.746 1.00 0.00 N ATOM 659 CA GLN A 39 -8.610 -2.165 -18.550 1.00 0.00 C ATOM 660 C GLN A 39 -8.869 -0.763 -18.010 1.00 0.00 C ATOM 661 O GLN A 39 -9.003 0.192 -18.774 1.00 0.00 O ATOM 662 CB GLN A 39 -9.914 -2.963 -18.573 1.00 0.00 C ATOM 663 CG GLN A 39 -10.507 -3.197 -17.192 1.00 0.00 C ATOM 664 CD GLN A 39 -11.262 -4.510 -17.098 1.00 0.00 C ATOM 665 OE1 GLN A 39 -12.491 -4.528 -17.019 1.00 0.00 O ATOM 666 NE2 GLN A 39 -10.529 -5.616 -17.103 1.00 0.00 N ATOM 0 H GLN A 39 -7.959 -3.676 -17.251 1.00 0.00 H new ATOM 0 HA GLN A 39 -8.226 -2.078 -19.566 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -10.643 -2.435 -19.188 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -9.733 -3.926 -19.050 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -9.708 -3.187 -16.451 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -11.180 -2.376 -16.946 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -9.513 -5.554 -17.170 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -10.981 -6.528 -17.040 1.00 0.00 H new ATOM 675 N ASP A 40 -8.939 -0.646 -16.687 1.00 0.00 N ATOM 676 CA ASP A 40 -9.182 0.640 -16.046 1.00 0.00 C ATOM 677 C ASP A 40 -7.947 1.532 -16.124 1.00 0.00 C ATOM 678 O ASP A 40 -8.057 2.753 -16.229 1.00 0.00 O ATOM 679 CB ASP A 40 -9.586 0.436 -14.584 1.00 0.00 C ATOM 680 CG ASP A 40 -11.049 0.067 -14.435 1.00 0.00 C ATOM 681 OD1 ASP A 40 -11.428 -1.044 -14.863 1.00 0.00 O ATOM 682 OD2 ASP A 40 -11.815 0.889 -13.890 1.00 0.00 O ATOM 0 H ASP A 40 -8.831 -1.426 -16.039 1.00 0.00 H new ATOM 0 HA ASP A 40 -9.997 1.133 -16.577 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -8.970 -0.349 -14.146 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -9.385 1.349 -14.024 1.00 0.00 H new ATOM 687 N LYS A 41 -6.772 0.913 -16.072 1.00 0.00 N ATOM 688 CA LYS A 41 -5.517 1.652 -16.137 1.00 0.00 C ATOM 689 C LYS A 41 -5.397 2.404 -17.460 1.00 0.00 C ATOM 690 O LYS A 41 -5.136 3.607 -17.480 1.00 0.00 O ATOM 691 CB LYS A 41 -4.331 0.698 -15.967 1.00 0.00 C ATOM 692 CG LYS A 41 -3.245 1.237 -15.050 1.00 0.00 C ATOM 693 CD LYS A 41 -2.548 2.443 -15.659 1.00 0.00 C ATOM 694 CE LYS A 41 -1.251 2.049 -16.347 1.00 0.00 C ATOM 695 NZ LYS A 41 -0.572 3.221 -16.967 1.00 0.00 N ATOM 0 H LYS A 41 -6.663 -0.097 -15.985 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.508 2.379 -15.325 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.692 -0.251 -15.570 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -3.899 0.490 -16.946 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.682 1.514 -14.091 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.513 0.454 -14.852 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.211 2.923 -16.379 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.339 3.176 -14.880 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.583 1.584 -15.622 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.459 1.303 -17.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.308 2.910 -17.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.199 3.650 -17.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.350 3.922 -16.232 1.00 0.00 H new ATOM 709 N GLU A 42 -5.588 1.686 -18.561 1.00 0.00 N ATOM 710 CA GLU A 42 -5.502 2.283 -19.889 1.00 0.00 C ATOM 711 C GLU A 42 -6.651 3.259 -20.129 1.00 0.00 C ATOM 712 O GLU A 42 -6.544 4.167 -20.952 1.00 0.00 O ATOM 713 CB GLU A 42 -5.511 1.194 -20.962 1.00 0.00 C ATOM 714 CG GLU A 42 -6.708 0.261 -20.872 1.00 0.00 C ATOM 715 CD GLU A 42 -7.225 -0.156 -22.235 1.00 0.00 C ATOM 716 OE1 GLU A 42 -6.422 -0.181 -23.193 1.00 0.00 O ATOM 717 OE2 GLU A 42 -8.431 -0.460 -22.345 1.00 0.00 O ATOM 0 H GLU A 42 -5.804 0.689 -18.560 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.565 2.836 -19.948 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.501 1.664 -21.945 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.596 0.607 -20.880 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.430 -0.628 -20.305 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.508 0.754 -20.319 1.00 0.00 H new ATOM 724 N GLN A 43 -7.751 3.066 -19.406 1.00 0.00 N ATOM 725 CA GLN A 43 -8.919 3.930 -19.545 1.00 0.00 C ATOM 726 C GLN A 43 -8.687 5.293 -18.892 1.00 0.00 C ATOM 727 O GLN A 43 -9.511 6.198 -19.024 1.00 0.00 O ATOM 728 CB GLN A 43 -10.150 3.259 -18.931 1.00 0.00 C ATOM 729 CG GLN A 43 -11.394 3.361 -19.801 1.00 0.00 C ATOM 730 CD GLN A 43 -11.940 2.003 -20.199 1.00 0.00 C ATOM 731 OE1 GLN A 43 -13.052 1.633 -19.821 1.00 0.00 O ATOM 732 NE2 GLN A 43 -11.160 1.254 -20.968 1.00 0.00 N ATOM 0 H GLN A 43 -7.858 2.320 -18.719 1.00 0.00 H new ATOM 0 HA GLN A 43 -9.089 4.090 -20.610 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -9.928 2.207 -18.750 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -10.356 3.713 -17.962 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -12.164 3.915 -19.264 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -11.159 3.932 -20.699 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -10.245 1.600 -21.258 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -11.475 0.332 -21.269 1.00 0.00 H new ATOM 741 N SER A 44 -7.567 5.435 -18.191 1.00 0.00 N ATOM 742 CA SER A 44 -7.238 6.689 -17.523 1.00 0.00 C ATOM 743 C SER A 44 -8.290 7.036 -16.474 1.00 0.00 C ATOM 744 O SER A 44 -8.569 8.209 -16.222 1.00 0.00 O ATOM 745 CB SER A 44 -7.123 7.821 -18.549 1.00 0.00 C ATOM 746 OG SER A 44 -5.774 8.225 -18.711 1.00 0.00 O ATOM 0 H SER A 44 -6.872 4.698 -18.071 1.00 0.00 H new ATOM 0 HA SER A 44 -6.279 6.567 -17.020 1.00 0.00 H new ATOM 0 HB2 SER A 44 -7.525 7.491 -19.507 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.725 8.671 -18.227 1.00 0.00 H new ATOM 0 HG SER A 44 -5.726 8.947 -19.372 1.00 0.00 H new ATOM 752 N ASN A 45 -8.869 6.008 -15.862 1.00 0.00 N ATOM 753 CA ASN A 45 -9.888 6.201 -14.837 1.00 0.00 C ATOM 754 C ASN A 45 -9.509 5.466 -13.551 1.00 0.00 C ATOM 755 O ASN A 45 -10.078 4.423 -13.230 1.00 0.00 O ATOM 756 CB ASN A 45 -11.250 5.716 -15.344 1.00 0.00 C ATOM 757 CG ASN A 45 -12.336 6.755 -15.164 1.00 0.00 C ATOM 758 OD1 ASN A 45 -13.425 6.455 -14.675 1.00 0.00 O ATOM 759 ND2 ASN A 45 -12.046 7.990 -15.559 1.00 0.00 N ATOM 0 H ASN A 45 -8.649 5.032 -16.059 1.00 0.00 H new ATOM 0 HA ASN A 45 -9.954 7.266 -14.616 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -11.170 5.457 -16.400 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -11.530 4.806 -14.813 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -12.739 8.732 -15.462 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -11.131 8.196 -15.959 1.00 0.00 H new ATOM 766 N PRO A 46 -8.535 6.005 -12.799 1.00 0.00 N ATOM 767 CA PRO A 46 -8.076 5.398 -11.546 1.00 0.00 C ATOM 768 C PRO A 46 -9.215 5.184 -10.554 1.00 0.00 C ATOM 769 O PRO A 46 -10.170 5.959 -10.512 1.00 0.00 O ATOM 770 CB PRO A 46 -7.076 6.418 -10.992 1.00 0.00 C ATOM 771 CG PRO A 46 -6.628 7.200 -12.179 1.00 0.00 C ATOM 772 CD PRO A 46 -7.802 7.246 -13.114 1.00 0.00 C ATOM 0 HA PRO A 46 -7.648 4.409 -11.711 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -7.542 7.063 -10.247 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.236 5.923 -10.505 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -6.320 8.205 -11.890 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -5.769 6.728 -12.655 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -8.417 8.130 -12.945 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.485 7.273 -14.157 1.00 0.00 H new ATOM 780 N TYR A 47 -9.104 4.129 -9.755 1.00 0.00 N ATOM 781 CA TYR A 47 -10.120 3.813 -8.758 1.00 0.00 C ATOM 782 C TYR A 47 -9.981 4.722 -7.542 1.00 0.00 C ATOM 783 O TYR A 47 -10.973 5.110 -6.926 1.00 0.00 O ATOM 784 CB TYR A 47 -10.008 2.348 -8.332 1.00 0.00 C ATOM 785 CG TYR A 47 -11.034 1.935 -7.301 1.00 0.00 C ATOM 786 CD1 TYR A 47 -10.785 2.096 -5.944 1.00 0.00 C ATOM 787 CD2 TYR A 47 -12.249 1.382 -7.684 1.00 0.00 C ATOM 788 CE1 TYR A 47 -11.718 1.716 -4.998 1.00 0.00 C ATOM 789 CE2 TYR A 47 -13.187 1.001 -6.745 1.00 0.00 C ATOM 790 CZ TYR A 47 -12.918 1.171 -5.404 1.00 0.00 C ATOM 791 OH TYR A 47 -13.850 0.793 -4.465 1.00 0.00 O ATOM 0 H TYR A 47 -8.320 3.477 -9.778 1.00 0.00 H new ATOM 0 HA TYR A 47 -11.101 3.978 -9.205 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -10.114 1.714 -9.212 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -9.010 2.171 -7.930 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -9.847 2.525 -5.623 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -12.464 1.248 -8.734 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -11.509 1.845 -3.946 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -14.127 0.572 -7.060 1.00 0.00 H new ATOM 0 HH TYR A 47 -14.640 0.429 -4.916 1.00 0.00 H new ATOM 801 N MET A 48 -8.741 5.058 -7.202 1.00 0.00 N ATOM 802 CA MET A 48 -8.466 5.922 -6.060 1.00 0.00 C ATOM 803 C MET A 48 -7.034 6.445 -6.110 1.00 0.00 C ATOM 804 O MET A 48 -6.136 5.775 -6.617 1.00 0.00 O ATOM 805 CB MET A 48 -8.699 5.162 -4.753 1.00 0.00 C ATOM 806 CG MET A 48 -8.637 6.044 -3.517 1.00 0.00 C ATOM 807 SD MET A 48 -8.451 5.095 -1.995 1.00 0.00 S ATOM 808 CE MET A 48 -6.783 4.470 -2.187 1.00 0.00 C ATOM 0 H MET A 48 -7.909 4.744 -7.702 1.00 0.00 H new ATOM 0 HA MET A 48 -9.147 6.772 -6.104 1.00 0.00 H new ATOM 0 HB2 MET A 48 -9.674 4.676 -4.794 1.00 0.00 H new ATOM 0 HB3 MET A 48 -7.953 4.372 -4.664 1.00 0.00 H new ATOM 0 HG2 MET A 48 -7.802 6.738 -3.612 1.00 0.00 H new ATOM 0 HG3 MET A 48 -9.545 6.644 -3.458 1.00 0.00 H new ATOM 0 HE1 MET A 48 -6.296 4.427 -1.213 1.00 0.00 H new ATOM 0 HE2 MET A 48 -6.817 3.470 -2.620 1.00 0.00 H new ATOM 0 HE3 MET A 48 -6.220 5.132 -2.845 1.00 0.00 H new ATOM 818 N VAL A 49 -6.826 7.649 -5.586 1.00 0.00 N ATOM 819 CA VAL A 49 -5.503 8.255 -5.578 1.00 0.00 C ATOM 820 C VAL A 49 -5.177 8.858 -4.216 1.00 0.00 C ATOM 821 O VAL A 49 -6.018 9.506 -3.595 1.00 0.00 O ATOM 822 CB VAL A 49 -5.382 9.353 -6.651 1.00 0.00 C ATOM 823 CG1 VAL A 49 -5.137 8.739 -8.021 1.00 0.00 C ATOM 824 CG2 VAL A 49 -6.625 10.231 -6.664 1.00 0.00 C ATOM 0 H VAL A 49 -7.556 8.222 -5.163 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.793 7.458 -5.798 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.527 9.982 -6.404 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.054 9.531 -8.765 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.212 8.162 -8.001 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.968 8.083 -8.280 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.519 11.000 -7.429 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.500 9.619 -6.883 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.747 10.703 -5.689 1.00 0.00 H new ATOM 834 N LEU A 50 -3.948 8.641 -3.760 1.00 0.00 N ATOM 835 CA LEU A 50 -3.504 9.165 -2.474 1.00 0.00 C ATOM 836 C LEU A 50 -2.447 10.249 -2.670 1.00 0.00 C ATOM 837 O LEU A 50 -1.764 10.283 -3.690 1.00 0.00 O ATOM 838 CB LEU A 50 -2.940 8.039 -1.604 1.00 0.00 C ATOM 839 CG LEU A 50 -3.847 6.813 -1.463 1.00 0.00 C ATOM 840 CD1 LEU A 50 -3.078 5.538 -1.776 1.00 0.00 C ATOM 841 CD2 LEU A 50 -4.443 6.747 -0.065 1.00 0.00 C ATOM 0 H LEU A 50 -3.241 8.105 -4.263 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.365 9.604 -1.970 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.986 7.720 -2.023 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.735 8.436 -0.610 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.662 6.906 -2.181 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.740 4.679 -1.670 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.701 5.582 -2.798 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.241 5.439 -1.085 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.084 5.869 0.016 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.641 6.679 0.670 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.032 7.645 0.122 1.00 0.00 H new ATOM 853 N ASP A 51 -2.319 11.132 -1.686 1.00 0.00 N ATOM 854 CA ASP A 51 -1.344 12.213 -1.756 1.00 0.00 C ATOM 855 C ASP A 51 -0.059 11.836 -1.028 1.00 0.00 C ATOM 856 O ASP A 51 -0.051 11.667 0.191 1.00 0.00 O ATOM 857 CB ASP A 51 -1.928 13.494 -1.154 1.00 0.00 C ATOM 858 CG ASP A 51 -2.890 14.189 -2.098 1.00 0.00 C ATOM 859 OD1 ASP A 51 -2.422 14.945 -2.974 1.00 0.00 O ATOM 860 OD2 ASP A 51 -4.114 13.976 -1.960 1.00 0.00 O ATOM 0 H ASP A 51 -2.877 11.120 -0.832 1.00 0.00 H new ATOM 0 HA ASP A 51 -1.107 12.387 -2.806 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.445 13.253 -0.225 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.116 14.176 -0.900 1.00 0.00 H new ATOM 865 N ILE A 52 1.029 11.706 -1.783 1.00 0.00 N ATOM 866 CA ILE A 52 2.321 11.350 -1.207 1.00 0.00 C ATOM 867 C ILE A 52 2.727 12.341 -0.120 1.00 0.00 C ATOM 868 O ILE A 52 3.292 11.956 0.904 1.00 0.00 O ATOM 869 CB ILE A 52 3.424 11.295 -2.286 1.00 0.00 C ATOM 870 CG1 ILE A 52 3.033 10.310 -3.391 1.00 0.00 C ATOM 871 CG2 ILE A 52 4.763 10.908 -1.667 1.00 0.00 C ATOM 872 CD1 ILE A 52 4.127 10.072 -4.411 1.00 0.00 C ATOM 0 H ILE A 52 1.041 11.842 -2.794 1.00 0.00 H new ATOM 0 HA ILE A 52 2.212 10.359 -0.766 1.00 0.00 H new ATOM 0 HB ILE A 52 3.530 12.286 -2.727 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.759 9.358 -2.936 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.147 10.685 -3.903 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.527 10.875 -2.444 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.043 11.645 -0.914 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.678 9.927 -1.200 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.777 9.364 -5.162 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.385 11.014 -4.894 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.007 9.666 -3.912 1.00 0.00 H new ATOM 884 N ASP A 53 2.431 13.615 -0.348 1.00 0.00 N ATOM 885 CA ASP A 53 2.759 14.659 0.615 1.00 0.00 C ATOM 886 C ASP A 53 1.906 14.523 1.871 1.00 0.00 C ATOM 887 O ASP A 53 2.318 14.922 2.960 1.00 0.00 O ATOM 888 CB ASP A 53 2.557 16.040 -0.011 1.00 0.00 C ATOM 889 CG ASP A 53 2.915 17.165 0.940 1.00 0.00 C ATOM 890 OD1 ASP A 53 2.206 17.335 1.954 1.00 0.00 O ATOM 891 OD2 ASP A 53 3.903 17.880 0.672 1.00 0.00 O ATOM 0 H ASP A 53 1.965 13.950 -1.191 1.00 0.00 H new ATOM 0 HA ASP A 53 3.806 14.548 0.896 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.167 16.121 -0.911 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.517 16.147 -0.320 1.00 0.00 H new ATOM 896 N LYS A 54 0.714 13.956 1.711 1.00 0.00 N ATOM 897 CA LYS A 54 -0.201 13.766 2.832 1.00 0.00 C ATOM 898 C LYS A 54 0.266 12.625 3.734 1.00 0.00 C ATOM 899 O LYS A 54 -0.120 12.550 4.900 1.00 0.00 O ATOM 900 CB LYS A 54 -1.613 13.479 2.319 1.00 0.00 C ATOM 901 CG LYS A 54 -2.368 14.726 1.890 1.00 0.00 C ATOM 902 CD LYS A 54 -3.871 14.532 2.000 1.00 0.00 C ATOM 903 CE LYS A 54 -4.566 15.804 2.459 1.00 0.00 C ATOM 904 NZ LYS A 54 -5.978 15.554 2.856 1.00 0.00 N ATOM 0 H LYS A 54 0.359 13.620 0.816 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.212 14.685 3.418 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.551 12.793 1.474 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.179 12.972 3.101 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.063 15.569 2.510 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.106 14.975 0.862 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.271 14.226 1.033 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.084 13.726 2.702 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.022 16.231 3.302 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.540 16.541 1.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.321 16.346 3.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.568 15.468 2.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.033 14.673 3.406 1.00 0.00 H new ATOM 918 N LEU A 55 1.098 11.739 3.190 1.00 0.00 N ATOM 919 CA LEU A 55 1.612 10.605 3.952 1.00 0.00 C ATOM 920 C LEU A 55 2.268 11.069 5.248 1.00 0.00 C ATOM 921 O LEU A 55 2.939 12.101 5.283 1.00 0.00 O ATOM 922 CB LEU A 55 2.621 9.814 3.118 1.00 0.00 C ATOM 923 CG LEU A 55 2.085 9.256 1.798 1.00 0.00 C ATOM 924 CD1 LEU A 55 3.118 8.349 1.146 1.00 0.00 C ATOM 925 CD2 LEU A 55 0.781 8.505 2.023 1.00 0.00 C ATOM 0 H LEU A 55 1.429 11.785 2.226 1.00 0.00 H new ATOM 0 HA LEU A 55 0.769 9.960 4.200 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.473 10.459 2.901 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.993 8.985 3.719 1.00 0.00 H new ATOM 0 HG LEU A 55 1.886 10.092 1.127 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.721 7.960 0.208 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.027 8.917 0.948 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.347 7.519 1.814 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.416 8.116 1.072 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.952 7.678 2.712 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.039 9.182 2.446 1.00 0.00 H new ATOM 937 N PHE A 56 2.071 10.298 6.311 1.00 0.00 N ATOM 938 CA PHE A 56 2.645 10.628 7.610 1.00 0.00 C ATOM 939 C PHE A 56 3.794 9.685 7.948 1.00 0.00 C ATOM 940 O PHE A 56 4.736 10.063 8.645 1.00 0.00 O ATOM 941 CB PHE A 56 1.575 10.556 8.699 1.00 0.00 C ATOM 942 CG PHE A 56 0.801 11.831 8.867 1.00 0.00 C ATOM 943 CD1 PHE A 56 1.457 13.051 8.932 1.00 0.00 C ATOM 944 CD2 PHE A 56 -0.581 11.812 8.957 1.00 0.00 C ATOM 945 CE1 PHE A 56 0.747 14.226 9.084 1.00 0.00 C ATOM 946 CE2 PHE A 56 -1.296 12.984 9.112 1.00 0.00 C ATOM 947 CZ PHE A 56 -0.630 14.194 9.175 1.00 0.00 C ATOM 0 H PHE A 56 1.519 9.441 6.299 1.00 0.00 H new ATOM 0 HA PHE A 56 3.033 11.645 7.561 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.882 9.749 8.463 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.050 10.301 9.647 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.534 13.083 8.863 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.106 10.870 8.905 1.00 0.00 H new ATOM 0 HE1 PHE A 56 1.269 15.170 9.132 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.373 12.955 9.184 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.186 15.112 9.295 1.00 0.00 H new ATOM 957 N HIS A 57 3.712 8.454 7.451 1.00 0.00 N ATOM 958 CA HIS A 57 4.749 7.462 7.705 1.00 0.00 C ATOM 959 C HIS A 57 4.528 6.208 6.863 1.00 0.00 C ATOM 960 O HIS A 57 3.394 5.849 6.546 1.00 0.00 O ATOM 961 CB HIS A 57 4.780 7.100 9.192 1.00 0.00 C ATOM 962 CG HIS A 57 3.579 6.330 9.652 1.00 0.00 C ATOM 963 ND1 HIS A 57 3.289 5.056 9.213 1.00 0.00 N ATOM 964 CD2 HIS A 57 2.594 6.661 10.521 1.00 0.00 C ATOM 965 CE1 HIS A 57 2.176 4.637 9.789 1.00 0.00 C ATOM 966 NE2 HIS A 57 1.736 5.592 10.587 1.00 0.00 N ATOM 0 H HIS A 57 2.941 8.122 6.872 1.00 0.00 H new ATOM 0 HA HIS A 57 5.709 7.895 7.423 1.00 0.00 H new ATOM 0 HB2 HIS A 57 5.676 6.513 9.395 1.00 0.00 H new ATOM 0 HB3 HIS A 57 4.859 8.016 9.778 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.501 7.592 11.061 1.00 0.00 H new ATOM 0 HE1 HIS A 57 1.706 3.677 9.633 1.00 0.00 H new ATOM 0 HE2 HIS A 57 0.894 5.543 11.160 1.00 0.00 H new ATOM 975 N VAL A 58 5.625 5.543 6.510 1.00 0.00 N ATOM 976 CA VAL A 58 5.563 4.326 5.710 1.00 0.00 C ATOM 977 C VAL A 58 6.591 3.309 6.195 1.00 0.00 C ATOM 978 O VAL A 58 7.794 3.496 6.011 1.00 0.00 O ATOM 979 CB VAL A 58 5.810 4.624 4.218 1.00 0.00 C ATOM 980 CG1 VAL A 58 5.641 3.365 3.378 1.00 0.00 C ATOM 981 CG2 VAL A 58 4.878 5.727 3.738 1.00 0.00 C ATOM 0 H VAL A 58 6.570 5.829 6.767 1.00 0.00 H new ATOM 0 HA VAL A 58 4.561 3.913 5.826 1.00 0.00 H new ATOM 0 HB VAL A 58 6.838 4.967 4.101 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.820 3.601 2.329 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.354 2.609 3.707 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.627 2.982 3.496 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.064 5.927 2.683 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.843 5.412 3.871 1.00 0.00 H new ATOM 0 HG23 VAL A 58 5.059 6.633 4.316 1.00 0.00 H new ATOM 991 N ARG A 59 6.114 2.236 6.818 1.00 0.00 N ATOM 992 CA ARG A 59 7.002 1.198 7.334 1.00 0.00 C ATOM 993 C ARG A 59 6.338 -0.175 7.276 1.00 0.00 C ATOM 994 O ARG A 59 5.112 -0.281 7.248 1.00 0.00 O ATOM 995 CB ARG A 59 7.406 1.517 8.774 1.00 0.00 C ATOM 996 CG ARG A 59 8.353 2.700 8.897 1.00 0.00 C ATOM 997 CD ARG A 59 9.782 2.316 8.542 1.00 0.00 C ATOM 998 NE ARG A 59 10.721 2.649 9.610 1.00 0.00 N ATOM 999 CZ ARG A 59 10.932 1.884 10.679 1.00 0.00 C ATOM 1000 NH1 ARG A 59 10.273 0.741 10.829 1.00 0.00 N ATOM 1001 NH2 ARG A 59 11.805 2.263 11.604 1.00 0.00 N ATOM 0 H ARG A 59 5.122 2.062 6.978 1.00 0.00 H new ATOM 0 HA ARG A 59 7.892 1.175 6.705 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.508 1.720 9.357 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.879 0.638 9.212 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.018 3.504 8.241 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.322 3.086 9.916 1.00 0.00 H new ATOM 0 HD2 ARG A 59 9.830 1.246 8.338 1.00 0.00 H new ATOM 0 HD3 ARG A 59 10.078 2.828 7.627 1.00 0.00 H new ATOM 0 HE ARG A 59 11.247 3.520 9.532 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.600 0.444 10.123 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.440 0.160 11.651 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.314 3.140 11.496 1.00 0.00 H new ATOM 0 HH22 ARG A 59 11.967 1.677 12.423 1.00 0.00 H new ATOM 1015 N PRO A 60 7.146 -1.252 7.263 1.00 0.00 N ATOM 1016 CA PRO A 60 6.633 -2.624 7.215 1.00 0.00 C ATOM 1017 C PRO A 60 5.790 -2.967 8.437 1.00 0.00 C ATOM 1018 O PRO A 60 5.979 -2.399 9.512 1.00 0.00 O ATOM 1019 CB PRO A 60 7.901 -3.489 7.183 1.00 0.00 C ATOM 1020 CG PRO A 60 8.980 -2.611 7.716 1.00 0.00 C ATOM 1021 CD PRO A 60 8.618 -1.215 7.299 1.00 0.00 C ATOM 0 HA PRO A 60 5.977 -2.779 6.358 1.00 0.00 H new ATOM 0 HB2 PRO A 60 7.783 -4.385 7.793 1.00 0.00 H new ATOM 0 HB3 PRO A 60 8.127 -3.821 6.170 1.00 0.00 H new ATOM 0 HG2 PRO A 60 9.047 -2.690 8.801 1.00 0.00 H new ATOM 0 HG3 PRO A 60 9.952 -2.899 7.315 1.00 0.00 H new ATOM 0 HD2 PRO A 60 8.986 -0.474 8.008 1.00 0.00 H new ATOM 0 HD3 PRO A 60 9.039 -0.962 6.326 1.00 0.00 H new ATOM 1029 N VAL A 61 4.859 -3.899 8.266 1.00 0.00 N ATOM 1030 CA VAL A 61 3.989 -4.314 9.359 1.00 0.00 C ATOM 1031 C VAL A 61 4.480 -5.614 9.991 1.00 0.00 C ATOM 1032 O VAL A 61 5.289 -6.332 9.405 1.00 0.00 O ATOM 1033 CB VAL A 61 2.532 -4.494 8.886 1.00 0.00 C ATOM 1034 CG1 VAL A 61 2.024 -3.221 8.227 1.00 0.00 C ATOM 1035 CG2 VAL A 61 2.410 -5.677 7.936 1.00 0.00 C ATOM 0 H VAL A 61 4.688 -4.380 7.383 1.00 0.00 H new ATOM 0 HA VAL A 61 4.019 -3.520 10.105 1.00 0.00 H new ATOM 0 HB VAL A 61 1.914 -4.700 9.760 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.995 -3.367 7.900 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.064 -2.400 8.943 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.648 -2.983 7.366 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.373 -5.782 7.617 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.043 -5.510 7.064 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.727 -6.587 8.445 1.00 0.00 H new ATOM 1045 N THR A 62 3.986 -5.909 11.189 1.00 0.00 N ATOM 1046 CA THR A 62 4.376 -7.121 11.899 1.00 0.00 C ATOM 1047 C THR A 62 3.176 -8.037 12.113 1.00 0.00 C ATOM 1048 O THR A 62 2.078 -7.761 11.632 1.00 0.00 O ATOM 1049 CB THR A 62 5.008 -6.767 13.245 1.00 0.00 C ATOM 1050 OG1 THR A 62 4.065 -6.134 14.091 1.00 0.00 O ATOM 1051 CG2 THR A 62 6.204 -5.846 13.121 1.00 0.00 C ATOM 0 H THR A 62 3.315 -5.325 11.688 1.00 0.00 H new ATOM 0 HA THR A 62 5.109 -7.649 11.289 1.00 0.00 H new ATOM 0 HB THR A 62 5.342 -7.716 13.666 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.488 -5.917 14.948 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.605 -5.635 14.112 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.972 -6.326 12.514 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.898 -4.914 12.647 1.00 0.00 H new ATOM 1059 N GLN A 63 3.395 -9.128 12.838 1.00 0.00 N ATOM 1060 CA GLN A 63 2.332 -10.088 13.118 1.00 0.00 C ATOM 1061 C GLN A 63 1.215 -9.451 13.941 1.00 0.00 C ATOM 1062 O GLN A 63 0.105 -9.978 14.007 1.00 0.00 O ATOM 1063 CB GLN A 63 2.896 -11.302 13.860 1.00 0.00 C ATOM 1064 CG GLN A 63 1.945 -12.489 13.894 1.00 0.00 C ATOM 1065 CD GLN A 63 2.169 -13.447 12.741 1.00 0.00 C ATOM 1066 OE1 GLN A 63 3.109 -14.242 12.753 1.00 0.00 O ATOM 1067 NE2 GLN A 63 1.302 -13.378 11.737 1.00 0.00 N ATOM 0 H GLN A 63 4.299 -9.371 13.243 1.00 0.00 H new ATOM 0 HA GLN A 63 1.914 -10.411 12.165 1.00 0.00 H new ATOM 0 HB2 GLN A 63 3.828 -11.607 13.385 1.00 0.00 H new ATOM 0 HB3 GLN A 63 3.139 -11.012 14.882 1.00 0.00 H new ATOM 0 HG2 GLN A 63 2.070 -13.024 14.836 1.00 0.00 H new ATOM 0 HG3 GLN A 63 0.917 -12.127 13.867 1.00 0.00 H new ATOM 0 HE21 GLN A 63 0.537 -12.704 11.769 1.00 0.00 H new ATOM 0 HE22 GLN A 63 1.401 -13.999 10.934 1.00 0.00 H new ATOM 1076 N THR A 64 1.511 -8.316 14.569 1.00 0.00 N ATOM 1077 CA THR A 64 0.526 -7.615 15.385 1.00 0.00 C ATOM 1078 C THR A 64 -0.435 -6.808 14.516 1.00 0.00 C ATOM 1079 O THR A 64 -1.579 -6.568 14.899 1.00 0.00 O ATOM 1080 CB THR A 64 1.226 -6.693 16.383 1.00 0.00 C ATOM 1081 OG1 THR A 64 1.817 -5.592 15.717 1.00 0.00 O ATOM 1082 CG2 THR A 64 2.313 -7.384 17.178 1.00 0.00 C ATOM 0 H THR A 64 2.424 -7.863 14.528 1.00 0.00 H new ATOM 0 HA THR A 64 -0.051 -8.362 15.930 1.00 0.00 H new ATOM 0 HB THR A 64 0.446 -6.368 17.072 1.00 0.00 H new ATOM 0 HG1 THR A 64 2.573 -5.904 15.177 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.768 -6.672 17.867 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.881 -8.210 17.743 1.00 0.00 H new ATOM 0 HG23 THR A 64 3.073 -7.768 16.498 1.00 0.00 H new ATOM 1090 N ASP A 65 0.039 -6.389 13.346 1.00 0.00 N ATOM 1091 CA ASP A 65 -0.780 -5.606 12.429 1.00 0.00 C ATOM 1092 C ASP A 65 -1.831 -6.478 11.745 1.00 0.00 C ATOM 1093 O ASP A 65 -2.878 -5.986 11.324 1.00 0.00 O ATOM 1094 CB ASP A 65 0.102 -4.929 11.377 1.00 0.00 C ATOM 1095 CG ASP A 65 -0.153 -3.438 11.280 1.00 0.00 C ATOM 1096 OD1 ASP A 65 -1.166 -3.049 10.662 1.00 0.00 O ATOM 1097 OD2 ASP A 65 0.660 -2.660 11.822 1.00 0.00 O ATOM 0 H ASP A 65 0.984 -6.579 13.012 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.296 -4.842 13.010 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.150 -5.100 11.622 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.078 -5.389 10.406 1.00 0.00 H new ATOM 1102 N VAL A 66 -1.545 -7.771 11.637 1.00 0.00 N ATOM 1103 CA VAL A 66 -2.464 -8.705 11.004 1.00 0.00 C ATOM 1104 C VAL A 66 -2.683 -9.933 11.877 1.00 0.00 C ATOM 1105 O VAL A 66 -2.131 -10.039 12.972 1.00 0.00 O ATOM 1106 CB VAL A 66 -1.947 -9.156 9.622 1.00 0.00 C ATOM 1107 CG1 VAL A 66 -2.303 -8.129 8.558 1.00 0.00 C ATOM 1108 CG2 VAL A 66 -0.444 -9.395 9.662 1.00 0.00 C ATOM 0 H VAL A 66 -0.683 -8.195 11.980 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.410 -8.179 10.874 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.432 -10.097 9.364 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.930 -8.464 7.590 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.386 -8.015 8.510 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.848 -7.171 8.810 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.100 -9.712 8.678 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.064 -8.473 9.944 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.218 -10.171 10.393 1.00 0.00 H new ATOM 1118 N TYR A 67 -3.495 -10.860 11.385 1.00 0.00 N ATOM 1119 CA TYR A 67 -3.791 -12.087 12.115 1.00 0.00 C ATOM 1120 C TYR A 67 -4.071 -13.233 11.149 1.00 0.00 C ATOM 1121 O TYR A 67 -3.499 -14.315 11.269 1.00 0.00 O ATOM 1122 CB TYR A 67 -4.990 -11.879 13.040 1.00 0.00 C ATOM 1123 CG TYR A 67 -6.197 -11.283 12.349 1.00 0.00 C ATOM 1124 CD1 TYR A 67 -6.289 -9.914 12.132 1.00 0.00 C ATOM 1125 CD2 TYR A 67 -7.241 -12.089 11.915 1.00 0.00 C ATOM 1126 CE1 TYR A 67 -7.390 -9.365 11.501 1.00 0.00 C ATOM 1127 CE2 TYR A 67 -8.344 -11.546 11.282 1.00 0.00 C ATOM 1128 CZ TYR A 67 -8.414 -10.184 11.078 1.00 0.00 C ATOM 1129 OH TYR A 67 -9.511 -9.642 10.450 1.00 0.00 O ATOM 0 H TYR A 67 -3.962 -10.785 10.481 1.00 0.00 H new ATOM 0 HA TYR A 67 -2.920 -12.344 12.717 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.270 -12.837 13.478 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -4.694 -11.227 13.862 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -5.488 -9.269 12.461 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -7.191 -13.156 12.074 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -7.447 -8.299 11.340 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -9.147 -12.186 10.949 1.00 0.00 H new ATOM 0 HH TYR A 67 -9.881 -10.293 9.818 1.00 0.00 H new ATOM 1139 N ARG A 68 -4.952 -12.982 10.185 1.00 0.00 N ATOM 1140 CA ARG A 68 -5.306 -13.989 9.192 1.00 0.00 C ATOM 1141 C ARG A 68 -4.146 -14.234 8.230 1.00 0.00 C ATOM 1142 O ARG A 68 -4.038 -15.303 7.631 1.00 0.00 O ATOM 1143 CB ARG A 68 -6.553 -13.556 8.413 1.00 0.00 C ATOM 1144 CG ARG A 68 -6.325 -12.365 7.493 1.00 0.00 C ATOM 1145 CD ARG A 68 -6.504 -11.047 8.228 1.00 0.00 C ATOM 1146 NE ARG A 68 -7.100 -10.021 7.375 1.00 0.00 N ATOM 1147 CZ ARG A 68 -7.000 -8.713 7.606 1.00 0.00 C ATOM 1148 NH1 ARG A 68 -6.333 -8.266 8.664 1.00 0.00 N ATOM 1149 NH2 ARG A 68 -7.571 -7.848 6.777 1.00 0.00 N ATOM 0 H ARG A 68 -5.433 -12.090 10.071 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.523 -14.920 9.716 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.909 -14.398 7.819 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.344 -13.309 9.121 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -5.320 -12.415 7.075 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.021 -12.413 6.656 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.135 -11.203 9.103 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.537 -10.700 8.591 1.00 0.00 H new ATOM 0 HE ARG A 68 -7.624 -10.324 6.554 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.893 -8.926 9.306 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.260 -7.263 8.835 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -8.086 -8.185 5.964 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -7.495 -6.846 6.953 1.00 0.00 H new ATOM 1163 N ALA A 69 -3.278 -13.234 8.092 1.00 0.00 N ATOM 1164 CA ALA A 69 -2.124 -13.335 7.207 1.00 0.00 C ATOM 1165 C ALA A 69 -1.247 -14.527 7.580 1.00 0.00 C ATOM 1166 O ALA A 69 -1.661 -15.399 8.343 1.00 0.00 O ATOM 1167 CB ALA A 69 -1.318 -12.046 7.250 1.00 0.00 C ATOM 0 H ALA A 69 -3.354 -12.344 8.584 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.486 -13.492 6.191 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.458 -12.132 6.585 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.944 -11.214 6.927 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -0.973 -11.866 8.268 1.00 0.00 H new ATOM 1173 N ASP A 70 -0.035 -14.557 7.037 1.00 0.00 N ATOM 1174 CA ASP A 70 0.901 -15.641 7.313 1.00 0.00 C ATOM 1175 C ASP A 70 2.240 -15.091 7.795 1.00 0.00 C ATOM 1176 O ASP A 70 2.687 -14.037 7.343 1.00 0.00 O ATOM 1177 CB ASP A 70 1.106 -16.497 6.060 1.00 0.00 C ATOM 1178 CG ASP A 70 0.314 -17.788 6.109 1.00 0.00 C ATOM 1179 OD1 ASP A 70 0.833 -18.783 6.659 1.00 0.00 O ATOM 1180 OD2 ASP A 70 -0.826 -17.806 5.598 1.00 0.00 O ATOM 0 H ASP A 70 0.323 -13.843 6.403 1.00 0.00 H new ATOM 0 HA ASP A 70 0.479 -16.263 8.102 1.00 0.00 H new ATOM 0 HB2 ASP A 70 0.811 -15.925 5.180 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.166 -16.727 5.950 1.00 0.00 H new ATOM 1185 N ALA A 71 2.875 -15.812 8.715 1.00 0.00 N ATOM 1186 CA ALA A 71 4.163 -15.399 9.263 1.00 0.00 C ATOM 1187 C ALA A 71 5.148 -15.028 8.160 1.00 0.00 C ATOM 1188 O ALA A 71 6.022 -14.183 8.353 1.00 0.00 O ATOM 1189 CB ALA A 71 4.740 -16.505 10.136 1.00 0.00 C ATOM 0 H ALA A 71 2.517 -16.687 9.097 1.00 0.00 H new ATOM 0 HA ALA A 71 3.998 -14.511 9.873 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.701 -16.186 10.540 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.054 -16.716 10.956 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.879 -17.406 9.538 1.00 0.00 H new ATOM 1195 N LYS A 72 5.000 -15.661 7.001 1.00 0.00 N ATOM 1196 CA LYS A 72 5.876 -15.392 5.866 1.00 0.00 C ATOM 1197 C LYS A 72 5.414 -14.157 5.099 1.00 0.00 C ATOM 1198 O LYS A 72 6.213 -13.484 4.448 1.00 0.00 O ATOM 1199 CB LYS A 72 5.918 -16.602 4.930 1.00 0.00 C ATOM 1200 CG LYS A 72 4.542 -17.101 4.519 1.00 0.00 C ATOM 1201 CD LYS A 72 4.197 -18.416 5.201 1.00 0.00 C ATOM 1202 CE LYS A 72 4.418 -19.600 4.274 1.00 0.00 C ATOM 1203 NZ LYS A 72 4.606 -20.869 5.028 1.00 0.00 N ATOM 0 H LYS A 72 4.282 -16.363 6.823 1.00 0.00 H new ATOM 0 HA LYS A 72 6.878 -15.203 6.251 1.00 0.00 H new ATOM 0 HB2 LYS A 72 6.482 -16.339 4.035 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.458 -17.412 5.421 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.792 -16.352 4.772 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.510 -17.232 3.437 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.808 -18.534 6.096 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.157 -18.396 5.526 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.565 -19.700 3.603 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.293 -19.415 3.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.754 -21.652 4.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.435 -20.784 5.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.761 -21.060 5.603 1.00 0.00 H new ATOM 1217 N GLU A 73 4.120 -13.865 5.179 1.00 0.00 N ATOM 1218 CA GLU A 73 3.548 -12.713 4.492 1.00 0.00 C ATOM 1219 C GLU A 73 3.813 -11.422 5.263 1.00 0.00 C ATOM 1220 O GLU A 73 3.954 -10.353 4.670 1.00 0.00 O ATOM 1221 CB GLU A 73 2.044 -12.906 4.299 1.00 0.00 C ATOM 1222 CG GLU A 73 1.685 -14.175 3.544 1.00 0.00 C ATOM 1223 CD GLU A 73 2.147 -14.144 2.100 1.00 0.00 C ATOM 1224 OE1 GLU A 73 1.389 -13.636 1.245 1.00 0.00 O ATOM 1225 OE2 GLU A 73 3.264 -14.627 1.823 1.00 0.00 O ATOM 0 H GLU A 73 3.446 -14.412 5.714 1.00 0.00 H new ATOM 0 HA GLU A 73 4.028 -12.632 3.517 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.560 -12.925 5.276 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.642 -12.047 3.761 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.133 -15.032 4.047 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.605 -14.318 3.573 1.00 0.00 H new ATOM 1232 N ILE A 74 3.872 -11.527 6.588 1.00 0.00 N ATOM 1233 CA ILE A 74 4.114 -10.365 7.441 1.00 0.00 C ATOM 1234 C ILE A 74 5.276 -9.513 6.924 1.00 0.00 C ATOM 1235 O ILE A 74 5.126 -8.305 6.740 1.00 0.00 O ATOM 1236 CB ILE A 74 4.398 -10.780 8.899 1.00 0.00 C ATOM 1237 CG1 ILE A 74 3.331 -11.756 9.403 1.00 0.00 C ATOM 1238 CG2 ILE A 74 4.460 -9.551 9.795 1.00 0.00 C ATOM 1239 CD1 ILE A 74 1.911 -11.289 9.156 1.00 0.00 C ATOM 0 H ILE A 74 3.756 -12.404 7.095 1.00 0.00 H new ATOM 0 HA ILE A 74 3.202 -9.769 7.413 1.00 0.00 H new ATOM 0 HB ILE A 74 5.364 -11.285 8.931 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.476 -12.721 8.917 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.471 -11.913 10.472 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.661 -9.859 10.821 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.256 -8.890 9.452 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.507 -9.023 9.755 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.212 -12.032 9.540 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.747 -10.339 9.665 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.752 -11.160 8.086 1.00 0.00 H new ATOM 1251 N PRO A 75 6.453 -10.123 6.685 1.00 0.00 N ATOM 1252 CA PRO A 75 7.627 -9.393 6.191 1.00 0.00 C ATOM 1253 C PRO A 75 7.435 -8.859 4.772 1.00 0.00 C ATOM 1254 O PRO A 75 8.231 -8.052 4.294 1.00 0.00 O ATOM 1255 CB PRO A 75 8.742 -10.441 6.217 1.00 0.00 C ATOM 1256 CG PRO A 75 8.036 -11.750 6.144 1.00 0.00 C ATOM 1257 CD PRO A 75 6.737 -11.558 6.875 1.00 0.00 C ATOM 0 HA PRO A 75 7.835 -8.513 6.799 1.00 0.00 H new ATOM 0 HB2 PRO A 75 9.425 -10.313 5.377 1.00 0.00 H new ATOM 0 HB3 PRO A 75 9.337 -10.363 7.127 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.862 -12.043 5.109 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.630 -12.540 6.603 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.946 -12.183 6.461 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.827 -11.814 7.931 1.00 0.00 H new ATOM 1265 N ARG A 76 6.379 -9.313 4.101 1.00 0.00 N ATOM 1266 CA ARG A 76 6.099 -8.874 2.737 1.00 0.00 C ATOM 1267 C ARG A 76 4.971 -7.842 2.702 1.00 0.00 C ATOM 1268 O ARG A 76 4.531 -7.434 1.627 1.00 0.00 O ATOM 1269 CB ARG A 76 5.728 -10.073 1.862 1.00 0.00 C ATOM 1270 CG ARG A 76 6.715 -11.225 1.956 1.00 0.00 C ATOM 1271 CD ARG A 76 6.598 -12.158 0.761 1.00 0.00 C ATOM 1272 NE ARG A 76 6.481 -13.557 1.168 1.00 0.00 N ATOM 1273 CZ ARG A 76 7.518 -14.320 1.511 1.00 0.00 C ATOM 1274 NH1 ARG A 76 8.748 -13.820 1.506 1.00 0.00 N ATOM 1275 NH2 ARG A 76 7.324 -15.583 1.862 1.00 0.00 N ATOM 0 H ARG A 76 5.707 -9.981 4.477 1.00 0.00 H new ATOM 0 HA ARG A 76 7.003 -8.405 2.348 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.739 -10.429 2.149 1.00 0.00 H new ATOM 0 HB3 ARG A 76 5.661 -9.747 0.824 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.730 -10.832 2.014 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.537 -11.784 2.874 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.727 -11.879 0.167 1.00 0.00 H new ATOM 0 HD3 ARG A 76 7.472 -12.039 0.121 1.00 0.00 H new ATOM 0 HE ARG A 76 5.550 -13.974 1.191 1.00 0.00 H new ATOM 0 HH11 ARG A 76 8.902 -12.848 1.239 1.00 0.00 H new ATOM 0 HH12 ARG A 76 9.539 -14.408 1.769 1.00 0.00 H new ATOM 0 HH21 ARG A 76 6.381 -15.971 1.870 1.00 0.00 H new ATOM 0 HH22 ARG A 76 8.118 -16.167 2.125 1.00 0.00 H new ATOM 1289 N ILE A 77 4.502 -7.425 3.875 1.00 0.00 N ATOM 1290 CA ILE A 77 3.426 -6.443 3.961 1.00 0.00 C ATOM 1291 C ILE A 77 3.910 -5.148 4.607 1.00 0.00 C ATOM 1292 O ILE A 77 4.652 -5.172 5.588 1.00 0.00 O ATOM 1293 CB ILE A 77 2.229 -6.997 4.763 1.00 0.00 C ATOM 1294 CG1 ILE A 77 1.733 -8.301 4.138 1.00 0.00 C ATOM 1295 CG2 ILE A 77 1.105 -5.971 4.827 1.00 0.00 C ATOM 1296 CD1 ILE A 77 0.976 -9.189 5.103 1.00 0.00 C ATOM 0 H ILE A 77 4.849 -7.751 4.777 1.00 0.00 H new ATOM 0 HA ILE A 77 3.104 -6.232 2.941 1.00 0.00 H new ATOM 0 HB ILE A 77 2.559 -7.203 5.781 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.087 -8.066 3.292 1.00 0.00 H new ATOM 0 HG13 ILE A 77 2.587 -8.852 3.744 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.271 -6.380 5.396 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.467 -5.065 5.314 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.772 -5.732 3.817 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.655 -10.095 4.589 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.625 -9.456 5.937 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.102 -8.656 5.478 1.00 0.00 H new ATOM 1308 N PHE A 78 3.479 -4.018 4.050 1.00 0.00 N ATOM 1309 CA PHE A 78 3.867 -2.714 4.575 1.00 0.00 C ATOM 1310 C PHE A 78 2.647 -1.811 4.740 1.00 0.00 C ATOM 1311 O PHE A 78 1.645 -1.972 4.044 1.00 0.00 O ATOM 1312 CB PHE A 78 4.897 -2.049 3.659 1.00 0.00 C ATOM 1313 CG PHE A 78 4.520 -2.068 2.204 1.00 0.00 C ATOM 1314 CD1 PHE A 78 4.595 -3.240 1.469 1.00 0.00 C ATOM 1315 CD2 PHE A 78 4.097 -0.910 1.570 1.00 0.00 C ATOM 1316 CE1 PHE A 78 4.254 -3.259 0.130 1.00 0.00 C ATOM 1317 CE2 PHE A 78 3.754 -0.922 0.231 1.00 0.00 C ATOM 1318 CZ PHE A 78 3.833 -2.097 -0.490 1.00 0.00 C ATOM 0 H PHE A 78 2.863 -3.981 3.238 1.00 0.00 H new ATOM 0 HA PHE A 78 4.319 -2.866 5.555 1.00 0.00 H new ATOM 0 HB2 PHE A 78 5.036 -1.015 3.975 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.856 -2.551 3.782 1.00 0.00 H new ATOM 0 HD1 PHE A 78 4.924 -4.150 1.948 1.00 0.00 H new ATOM 0 HD2 PHE A 78 4.035 0.012 2.129 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.316 -4.180 -0.431 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.425 -0.013 -0.251 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.566 -2.108 -1.537 1.00 0.00 H new ATOM 1328 N GLN A 79 2.737 -0.866 5.672 1.00 0.00 N ATOM 1329 CA GLN A 79 1.636 0.055 5.936 1.00 0.00 C ATOM 1330 C GLN A 79 2.041 1.500 5.651 1.00 0.00 C ATOM 1331 O GLN A 79 3.145 1.929 5.994 1.00 0.00 O ATOM 1332 CB GLN A 79 1.173 -0.077 7.388 1.00 0.00 C ATOM 1333 CG GLN A 79 0.008 0.833 7.742 1.00 0.00 C ATOM 1334 CD GLN A 79 -0.176 0.990 9.238 1.00 0.00 C ATOM 1335 OE1 GLN A 79 -1.364 0.658 9.728 1.00 0.00 O flip ATOM 1336 NE2 GLN A 79 0.743 1.404 9.947 1.00 0.00 N flip ATOM 0 H GLN A 79 3.560 -0.718 6.256 1.00 0.00 H new ATOM 0 HA GLN A 79 0.814 -0.207 5.269 1.00 0.00 H new ATOM 0 HB2 GLN A 79 0.885 -1.111 7.576 1.00 0.00 H new ATOM 0 HB3 GLN A 79 2.011 0.146 8.049 1.00 0.00 H new ATOM 0 HG2 GLN A 79 0.169 1.814 7.295 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -0.907 0.431 7.307 1.00 0.00 H new ATOM 0 HE21 GLN A 79 1.640 1.648 9.528 1.00 0.00 H new ATOM 0 HE22 GLN A 79 0.606 1.503 10.953 1.00 0.00 H new ATOM 1345 N ILE A 80 1.133 2.244 5.025 1.00 0.00 N ATOM 1346 CA ILE A 80 1.380 3.644 4.693 1.00 0.00 C ATOM 1347 C ILE A 80 0.295 4.543 5.282 1.00 0.00 C ATOM 1348 O ILE A 80 -0.876 4.438 4.917 1.00 0.00 O ATOM 1349 CB ILE A 80 1.436 3.854 3.166 1.00 0.00 C ATOM 1350 CG1 ILE A 80 2.524 2.973 2.550 1.00 0.00 C ATOM 1351 CG2 ILE A 80 1.684 5.320 2.835 1.00 0.00 C ATOM 1352 CD1 ILE A 80 1.994 1.685 1.957 1.00 0.00 C ATOM 0 H ILE A 80 0.217 1.899 4.737 1.00 0.00 H new ATOM 0 HA ILE A 80 2.345 3.912 5.124 1.00 0.00 H new ATOM 0 HB ILE A 80 0.474 3.567 2.741 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.040 3.537 1.772 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.263 2.735 3.314 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.720 5.448 1.753 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.877 5.927 3.245 1.00 0.00 H new ATOM 0 HG23 ILE A 80 2.633 5.636 3.269 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.820 1.110 1.538 1.00 0.00 H new ATOM 0 HD12 ILE A 80 1.503 1.101 2.736 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.276 1.915 1.170 1.00 0.00 H new ATOM 1364 N LEU A 81 0.691 5.428 6.193 1.00 0.00 N ATOM 1365 CA LEU A 81 -0.252 6.344 6.826 1.00 0.00 C ATOM 1366 C LEU A 81 -0.402 7.623 6.008 1.00 0.00 C ATOM 1367 O LEU A 81 0.556 8.100 5.401 1.00 0.00 O ATOM 1368 CB LEU A 81 0.203 6.686 8.248 1.00 0.00 C ATOM 1369 CG LEU A 81 -0.636 7.754 8.956 1.00 0.00 C ATOM 1370 CD1 LEU A 81 -2.047 7.244 9.212 1.00 0.00 C ATOM 1371 CD2 LEU A 81 0.027 8.177 10.258 1.00 0.00 C ATOM 0 H LEU A 81 1.656 5.530 6.508 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.221 5.847 6.874 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.187 5.776 8.848 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.238 7.024 8.211 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.701 8.627 8.306 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.627 8.017 9.716 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.521 6.994 8.263 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.004 6.355 9.841 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.583 8.936 10.747 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.125 7.312 10.914 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.015 8.586 10.047 1.00 0.00 H new ATOM 1383 N TYR A 82 -1.613 8.172 5.999 1.00 0.00 N ATOM 1384 CA TYR A 82 -1.893 9.397 5.258 1.00 0.00 C ATOM 1385 C TYR A 82 -3.043 10.169 5.896 1.00 0.00 C ATOM 1386 O TYR A 82 -4.006 9.576 6.382 1.00 0.00 O ATOM 1387 CB TYR A 82 -2.230 9.074 3.800 1.00 0.00 C ATOM 1388 CG TYR A 82 -3.086 7.840 3.634 1.00 0.00 C ATOM 1389 CD1 TYR A 82 -2.557 6.573 3.844 1.00 0.00 C ATOM 1390 CD2 TYR A 82 -4.423 7.940 3.272 1.00 0.00 C ATOM 1391 CE1 TYR A 82 -3.334 5.443 3.697 1.00 0.00 C ATOM 1392 CE2 TYR A 82 -5.209 6.812 3.124 1.00 0.00 C ATOM 1393 CZ TYR A 82 -4.659 5.567 3.338 1.00 0.00 C ATOM 1394 OH TYR A 82 -5.439 4.443 3.193 1.00 0.00 O ATOM 0 H TYR A 82 -2.416 7.788 6.497 1.00 0.00 H new ATOM 0 HA TYR A 82 -0.999 10.019 5.288 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -2.747 9.926 3.358 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -1.303 8.940 3.243 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -1.520 6.471 4.127 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -4.856 8.915 3.103 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -2.906 4.465 3.862 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -6.247 6.906 2.842 1.00 0.00 H new ATOM 0 HH TYR A 82 -6.348 4.706 2.938 1.00 0.00 H new ATOM 1404 N ALA A 83 -2.937 11.494 5.889 1.00 0.00 N ATOM 1405 CA ALA A 83 -3.968 12.345 6.466 1.00 0.00 C ATOM 1406 C ALA A 83 -5.215 12.370 5.587 1.00 0.00 C ATOM 1407 O ALA A 83 -5.155 12.758 4.420 1.00 0.00 O ATOM 1408 CB ALA A 83 -3.434 13.755 6.672 1.00 0.00 C ATOM 0 H ALA A 83 -2.147 12.000 5.490 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.248 11.930 7.434 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.215 14.380 7.104 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.579 13.725 7.347 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -3.125 14.171 5.713 1.00 0.00 H new ATOM 1414 N ASN A 84 -6.342 11.955 6.153 1.00 0.00 N ATOM 1415 CA ASN A 84 -7.602 11.930 5.419 1.00 0.00 C ATOM 1416 C ASN A 84 -8.436 13.170 5.731 1.00 0.00 C ATOM 1417 O ASN A 84 -9.001 13.795 4.832 1.00 0.00 O ATOM 1418 CB ASN A 84 -8.391 10.658 5.757 1.00 0.00 C ATOM 1419 CG ASN A 84 -9.092 10.738 7.102 1.00 0.00 C ATOM 1420 OD1 ASN A 84 -8.412 10.289 8.150 1.00 0.00 O flip ATOM 1421 ND2 ASN A 84 -10.230 11.195 7.195 1.00 0.00 N flip ATOM 0 H ASN A 84 -6.409 11.631 7.118 1.00 0.00 H new ATOM 0 HA ASN A 84 -7.376 11.929 4.353 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -9.131 10.477 4.977 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.713 9.805 5.756 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -10.715 11.529 6.362 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -10.689 11.240 8.105 1.00 0.00 H new ATOM 1428 N GLU A 85 -8.508 13.519 7.012 1.00 0.00 N ATOM 1429 CA GLU A 85 -9.272 14.684 7.448 1.00 0.00 C ATOM 1430 C GLU A 85 -8.370 15.691 8.154 1.00 0.00 C ATOM 1431 O GLU A 85 -8.503 16.899 7.962 1.00 0.00 O ATOM 1432 CB GLU A 85 -10.406 14.253 8.380 1.00 0.00 C ATOM 1433 CG GLU A 85 -11.683 13.873 7.648 1.00 0.00 C ATOM 1434 CD GLU A 85 -12.617 15.050 7.453 1.00 0.00 C ATOM 1435 OE1 GLU A 85 -12.386 15.843 6.516 1.00 0.00 O ATOM 1436 OE2 GLU A 85 -13.579 15.180 8.239 1.00 0.00 O ATOM 0 H GLU A 85 -8.046 13.012 7.767 1.00 0.00 H new ATOM 0 HA GLU A 85 -9.698 15.162 6.566 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -10.072 13.404 8.976 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -10.623 15.065 9.075 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -11.428 13.452 6.676 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -12.200 13.093 8.208 1.00 0.00 H new ATOM 1443 N GLY A 86 -7.453 15.184 8.971 1.00 0.00 N ATOM 1444 CA GLY A 86 -6.542 16.052 9.692 1.00 0.00 C ATOM 1445 C GLY A 86 -5.208 15.388 9.969 1.00 0.00 C ATOM 1446 O GLY A 86 -4.323 15.378 9.113 1.00 0.00 O ATOM 0 H GLY A 86 -7.325 14.187 9.146 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.379 16.962 9.115 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -6.999 16.350 10.636 1.00 0.00 H new ATOM 1450 N ILE A 87 -5.060 14.835 11.168 1.00 0.00 N ATOM 1451 CA ILE A 87 -3.821 14.167 11.555 1.00 0.00 C ATOM 1452 C ILE A 87 -4.109 12.858 12.282 1.00 0.00 C ATOM 1453 O ILE A 87 -3.809 11.776 11.777 1.00 0.00 O ATOM 1454 CB ILE A 87 -2.951 15.060 12.462 1.00 0.00 C ATOM 1455 CG1 ILE A 87 -3.077 16.530 12.054 1.00 0.00 C ATOM 1456 CG2 ILE A 87 -1.497 14.614 12.406 1.00 0.00 C ATOM 1457 CD1 ILE A 87 -4.186 17.265 12.775 1.00 0.00 C ATOM 0 H ILE A 87 -5.782 14.836 11.889 1.00 0.00 H new ATOM 0 HA ILE A 87 -3.276 13.962 10.634 1.00 0.00 H new ATOM 0 HB ILE A 87 -3.306 14.959 13.488 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -2.131 17.035 12.249 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -3.253 16.587 10.980 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.895 15.254 13.051 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -1.420 13.581 12.745 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -1.133 14.687 11.381 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -4.216 18.301 12.436 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -5.141 16.785 12.560 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -4.001 17.240 13.849 1.00 0.00 H new ATOM 1469 N SER A 88 -4.688 12.965 13.473 1.00 0.00 N ATOM 1470 CA SER A 88 -5.013 11.790 14.275 1.00 0.00 C ATOM 1471 C SER A 88 -5.951 10.852 13.522 1.00 0.00 C ATOM 1472 O SER A 88 -5.894 9.634 13.690 1.00 0.00 O ATOM 1473 CB SER A 88 -5.653 12.213 15.599 1.00 0.00 C ATOM 1474 OG SER A 88 -6.262 11.110 16.246 1.00 0.00 O ATOM 0 H SER A 88 -4.942 13.853 13.905 1.00 0.00 H new ATOM 0 HA SER A 88 -4.085 11.256 14.479 1.00 0.00 H new ATOM 0 HB2 SER A 88 -4.895 12.648 16.251 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.398 12.988 15.416 1.00 0.00 H new ATOM 0 HG SER A 88 -6.662 11.406 17.090 1.00 0.00 H new ATOM 1480 N SER A 89 -6.815 11.427 12.691 1.00 0.00 N ATOM 1481 CA SER A 89 -7.767 10.640 11.914 1.00 0.00 C ATOM 1482 C SER A 89 -7.079 9.947 10.739 1.00 0.00 C ATOM 1483 O SER A 89 -7.596 8.966 10.200 1.00 0.00 O ATOM 1484 CB SER A 89 -8.900 11.531 11.400 1.00 0.00 C ATOM 1485 OG SER A 89 -9.634 12.093 12.475 1.00 0.00 O ATOM 0 H SER A 89 -6.876 12.434 12.538 1.00 0.00 H new ATOM 0 HA SER A 89 -8.182 9.875 12.570 1.00 0.00 H new ATOM 0 HB2 SER A 89 -8.488 12.328 10.781 1.00 0.00 H new ATOM 0 HB3 SER A 89 -9.567 10.947 10.766 1.00 0.00 H new ATOM 0 HG SER A 89 -10.351 12.659 12.121 1.00 0.00 H new ATOM 1491 N ALA A 90 -5.916 10.465 10.345 1.00 0.00 N ATOM 1492 CA ALA A 90 -5.150 9.905 9.232 1.00 0.00 C ATOM 1493 C ALA A 90 -5.172 8.378 9.236 1.00 0.00 C ATOM 1494 O ALA A 90 -4.720 7.743 10.189 1.00 0.00 O ATOM 1495 CB ALA A 90 -3.716 10.408 9.281 1.00 0.00 C ATOM 0 H ALA A 90 -5.481 11.277 10.784 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.621 10.238 8.307 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -3.154 9.986 8.448 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.709 11.496 9.209 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.256 10.104 10.221 1.00 0.00 H new ATOM 1501 N LYS A 91 -5.698 7.799 8.162 1.00 0.00 N ATOM 1502 CA LYS A 91 -5.778 6.349 8.038 1.00 0.00 C ATOM 1503 C LYS A 91 -4.513 5.791 7.396 1.00 0.00 C ATOM 1504 O LYS A 91 -3.593 6.539 7.061 1.00 0.00 O ATOM 1505 CB LYS A 91 -7.002 5.952 7.212 1.00 0.00 C ATOM 1506 CG LYS A 91 -8.302 6.543 7.731 1.00 0.00 C ATOM 1507 CD LYS A 91 -8.613 6.058 9.140 1.00 0.00 C ATOM 1508 CE LYS A 91 -9.831 5.147 9.169 1.00 0.00 C ATOM 1509 NZ LYS A 91 -10.914 5.694 10.033 1.00 0.00 N ATOM 0 H LYS A 91 -6.075 8.312 7.365 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.874 5.927 9.039 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -6.853 6.271 6.181 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -7.085 4.865 7.200 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -8.236 7.631 7.726 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.119 6.270 7.063 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -7.751 5.524 9.539 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -8.786 6.916 9.790 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.208 5.013 8.155 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -9.539 4.162 9.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.726 5.044 10.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -10.562 5.798 11.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.211 6.623 9.671 1.00 0.00 H new ATOM 1523 N ASN A 92 -4.470 4.474 7.225 1.00 0.00 N ATOM 1524 CA ASN A 92 -3.314 3.821 6.622 1.00 0.00 C ATOM 1525 C ASN A 92 -3.746 2.823 5.552 1.00 0.00 C ATOM 1526 O ASN A 92 -4.925 2.488 5.438 1.00 0.00 O ATOM 1527 CB ASN A 92 -2.477 3.113 7.691 1.00 0.00 C ATOM 1528 CG ASN A 92 -3.318 2.557 8.828 1.00 0.00 C ATOM 1529 OD1 ASN A 92 -4.317 1.749 8.489 1.00 0.00 O flip ATOM 1530 ND2 ASN A 92 -3.072 2.850 9.998 1.00 0.00 N flip ATOM 0 H ASN A 92 -5.221 3.839 7.495 1.00 0.00 H new ATOM 0 HA ASN A 92 -2.704 4.591 6.149 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -1.918 2.300 7.228 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -1.746 3.813 8.095 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -2.295 3.474 10.215 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -3.645 2.468 10.751 1.00 0.00 H new ATOM 1537 N LEU A 93 -2.780 2.352 4.767 1.00 0.00 N ATOM 1538 CA LEU A 93 -3.056 1.393 3.703 1.00 0.00 C ATOM 1539 C LEU A 93 -2.141 0.178 3.814 1.00 0.00 C ATOM 1540 O LEU A 93 -0.918 0.303 3.758 1.00 0.00 O ATOM 1541 CB LEU A 93 -2.881 2.055 2.333 1.00 0.00 C ATOM 1542 CG LEU A 93 -4.001 1.766 1.327 1.00 0.00 C ATOM 1543 CD1 LEU A 93 -4.636 3.062 0.843 1.00 0.00 C ATOM 1544 CD2 LEU A 93 -3.469 0.959 0.151 1.00 0.00 C ATOM 0 H LEU A 93 -1.799 2.620 4.849 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.088 1.058 3.808 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.809 3.133 2.474 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.934 1.725 1.905 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.768 1.176 1.829 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -5.428 2.835 0.130 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.056 3.601 1.692 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.879 3.680 0.360 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.279 0.764 -0.552 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.681 1.522 -0.350 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -3.066 0.013 0.512 1.00 0.00 H new ATOM 1556 N LEU A 94 -2.741 -0.999 3.965 1.00 0.00 N ATOM 1557 CA LEU A 94 -1.976 -2.234 4.076 1.00 0.00 C ATOM 1558 C LEU A 94 -1.838 -2.902 2.714 1.00 0.00 C ATOM 1559 O LEU A 94 -2.834 -3.205 2.057 1.00 0.00 O ATOM 1560 CB LEU A 94 -2.655 -3.188 5.063 1.00 0.00 C ATOM 1561 CG LEU A 94 -2.451 -2.849 6.541 1.00 0.00 C ATOM 1562 CD1 LEU A 94 -1.067 -3.282 7.001 1.00 0.00 C ATOM 1563 CD2 LEU A 94 -2.654 -1.360 6.779 1.00 0.00 C ATOM 0 H LEU A 94 -3.752 -1.122 4.013 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.980 -1.991 4.446 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.725 -3.201 4.854 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.283 -4.197 4.883 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.192 -3.394 7.126 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.939 -3.033 8.054 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.959 -4.358 6.867 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.310 -2.765 6.412 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.505 -1.137 7.835 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.936 -0.795 6.184 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.666 -1.080 6.488 1.00 0.00 H new ATOM 1575 N LEU A 95 -0.598 -3.121 2.289 1.00 0.00 N ATOM 1576 CA LEU A 95 -0.339 -3.741 1.001 1.00 0.00 C ATOM 1577 C LEU A 95 0.564 -4.959 1.142 1.00 0.00 C ATOM 1578 O LEU A 95 1.690 -4.861 1.632 1.00 0.00 O ATOM 1579 CB LEU A 95 0.292 -2.721 0.058 1.00 0.00 C ATOM 1580 CG LEU A 95 -0.543 -1.461 -0.170 1.00 0.00 C ATOM 1581 CD1 LEU A 95 0.141 -0.544 -1.167 1.00 0.00 C ATOM 1582 CD2 LEU A 95 -1.944 -1.825 -0.647 1.00 0.00 C ATOM 0 H LEU A 95 0.239 -2.878 2.818 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.289 -4.080 0.587 1.00 0.00 H new ATOM 0 HB2 LEU A 95 1.263 -2.430 0.457 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.473 -3.200 -0.904 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.633 -0.931 0.778 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.467 0.348 -1.318 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.120 -0.256 -0.784 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.262 -1.065 -2.117 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.523 -0.915 -0.804 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.877 -2.378 -1.584 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.435 -2.443 0.105 1.00 0.00 H new ATOM 1594 N LEU A 96 0.061 -6.107 0.703 1.00 0.00 N ATOM 1595 CA LEU A 96 0.813 -7.352 0.769 1.00 0.00 C ATOM 1596 C LEU A 96 1.556 -7.599 -0.540 1.00 0.00 C ATOM 1597 O LEU A 96 0.943 -7.720 -1.601 1.00 0.00 O ATOM 1598 CB LEU A 96 -0.134 -8.519 1.078 1.00 0.00 C ATOM 1599 CG LEU A 96 0.422 -9.919 0.803 1.00 0.00 C ATOM 1600 CD1 LEU A 96 1.267 -10.396 1.971 1.00 0.00 C ATOM 1601 CD2 LEU A 96 -0.713 -10.895 0.528 1.00 0.00 C ATOM 0 H LEU A 96 -0.869 -6.200 0.296 1.00 0.00 H new ATOM 0 HA LEU A 96 1.550 -7.275 1.569 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.420 -8.462 2.128 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.044 -8.389 0.492 1.00 0.00 H new ATOM 0 HG LEU A 96 1.058 -9.872 -0.081 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.653 -11.393 1.757 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.099 -9.709 2.123 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.656 -10.430 2.873 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.302 -11.886 0.334 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.373 -10.939 1.394 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.278 -10.560 -0.342 1.00 0.00 H new ATOM 1613 N ALA A 97 2.880 -7.669 -0.460 1.00 0.00 N ATOM 1614 CA ALA A 97 3.705 -7.901 -1.640 1.00 0.00 C ATOM 1615 C ALA A 97 3.979 -9.388 -1.832 1.00 0.00 C ATOM 1616 O ALA A 97 4.303 -10.098 -0.881 1.00 0.00 O ATOM 1617 CB ALA A 97 5.014 -7.133 -1.528 1.00 0.00 C ATOM 0 H ALA A 97 3.405 -7.569 0.409 1.00 0.00 H new ATOM 0 HA ALA A 97 3.159 -7.542 -2.512 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.620 -7.315 -2.416 1.00 0.00 H new ATOM 0 HB2 ALA A 97 4.804 -6.067 -1.445 1.00 0.00 H new ATOM 0 HB3 ALA A 97 5.557 -7.466 -0.643 1.00 0.00 H new ATOM 1623 N ASN A 98 3.851 -9.853 -3.072 1.00 0.00 N ATOM 1624 CA ASN A 98 4.087 -11.257 -3.390 1.00 0.00 C ATOM 1625 C ASN A 98 5.481 -11.687 -2.943 1.00 0.00 C ATOM 1626 O ASN A 98 5.709 -12.848 -2.608 1.00 0.00 O ATOM 1627 CB ASN A 98 3.924 -11.499 -4.892 1.00 0.00 C ATOM 1628 CG ASN A 98 2.682 -10.838 -5.455 1.00 0.00 C ATOM 1629 OD1 ASN A 98 1.592 -11.408 -5.425 1.00 0.00 O ATOM 1630 ND2 ASN A 98 2.843 -9.626 -5.973 1.00 0.00 N ATOM 0 H ASN A 98 3.585 -9.278 -3.872 1.00 0.00 H new ATOM 0 HA ASN A 98 3.350 -11.854 -2.852 1.00 0.00 H new ATOM 0 HB2 ASN A 98 4.802 -11.120 -5.415 1.00 0.00 H new ATOM 0 HB3 ASN A 98 3.878 -12.572 -5.081 1.00 0.00 H new ATOM 0 HD21 ASN A 98 2.044 -9.130 -6.367 1.00 0.00 H new ATOM 0 HD22 ASN A 98 3.766 -9.191 -5.977 1.00 0.00 H new ATOM 1637 N SER A 99 6.411 -10.737 -2.940 1.00 0.00 N ATOM 1638 CA SER A 99 7.784 -11.012 -2.532 1.00 0.00 C ATOM 1639 C SER A 99 8.272 -9.966 -1.535 1.00 0.00 C ATOM 1640 O SER A 99 7.923 -8.790 -1.633 1.00 0.00 O ATOM 1641 CB SER A 99 8.706 -11.037 -3.753 1.00 0.00 C ATOM 1642 OG SER A 99 8.035 -11.556 -4.888 1.00 0.00 O ATOM 0 H SER A 99 6.239 -9.770 -3.216 1.00 0.00 H new ATOM 0 HA SER A 99 7.806 -11.989 -2.049 1.00 0.00 H new ATOM 0 HB2 SER A 99 9.060 -10.028 -3.966 1.00 0.00 H new ATOM 0 HB3 SER A 99 9.585 -11.645 -3.537 1.00 0.00 H new ATOM 0 HG SER A 99 8.645 -11.560 -5.655 1.00 0.00 H new ATOM 1648 N THR A 100 9.078 -10.403 -0.573 1.00 0.00 N ATOM 1649 CA THR A 100 9.615 -9.505 0.444 1.00 0.00 C ATOM 1650 C THR A 100 10.385 -8.355 -0.194 1.00 0.00 C ATOM 1651 O THR A 100 10.240 -7.200 0.204 1.00 0.00 O ATOM 1652 CB THR A 100 10.527 -10.273 1.399 1.00 0.00 C ATOM 1653 OG1 THR A 100 10.131 -11.629 1.491 1.00 0.00 O ATOM 1654 CG2 THR A 100 10.544 -9.703 2.801 1.00 0.00 C ATOM 0 H THR A 100 9.374 -11.374 -0.476 1.00 0.00 H new ATOM 0 HA THR A 100 8.777 -9.090 1.004 1.00 0.00 H new ATOM 0 HB THR A 100 11.527 -10.182 0.976 1.00 0.00 H new ATOM 0 HG1 THR A 100 10.621 -12.159 0.828 1.00 0.00 H new ATOM 0 HG21 THR A 100 11.211 -10.296 3.427 1.00 0.00 H new ATOM 0 HG22 THR A 100 10.896 -8.672 2.770 1.00 0.00 H new ATOM 0 HG23 THR A 100 9.537 -9.730 3.217 1.00 0.00 H new ATOM 1662 N GLU A 101 11.207 -8.683 -1.185 1.00 0.00 N ATOM 1663 CA GLU A 101 12.007 -7.681 -1.883 1.00 0.00 C ATOM 1664 C GLU A 101 11.131 -6.556 -2.423 1.00 0.00 C ATOM 1665 O GLU A 101 11.507 -5.385 -2.374 1.00 0.00 O ATOM 1666 CB GLU A 101 12.786 -8.330 -3.028 1.00 0.00 C ATOM 1667 CG GLU A 101 13.543 -9.584 -2.616 1.00 0.00 C ATOM 1668 CD GLU A 101 14.542 -10.031 -3.664 1.00 0.00 C ATOM 1669 OE1 GLU A 101 15.425 -9.223 -4.024 1.00 0.00 O ATOM 1670 OE2 GLU A 101 14.443 -11.187 -4.125 1.00 0.00 O ATOM 0 H GLU A 101 11.337 -9.636 -1.524 1.00 0.00 H new ATOM 0 HA GLU A 101 12.709 -7.254 -1.167 1.00 0.00 H new ATOM 0 HB2 GLU A 101 12.093 -8.581 -3.831 1.00 0.00 H new ATOM 0 HB3 GLU A 101 13.493 -7.605 -3.432 1.00 0.00 H new ATOM 0 HG2 GLU A 101 14.065 -9.397 -1.678 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.832 -10.389 -2.430 1.00 0.00 H new ATOM 1677 N GLU A 102 9.959 -6.918 -2.935 1.00 0.00 N ATOM 1678 CA GLU A 102 9.029 -5.937 -3.483 1.00 0.00 C ATOM 1679 C GLU A 102 8.619 -4.923 -2.419 1.00 0.00 C ATOM 1680 O GLU A 102 8.567 -3.722 -2.681 1.00 0.00 O ATOM 1681 CB GLU A 102 7.788 -6.638 -4.044 1.00 0.00 C ATOM 1682 CG GLU A 102 7.414 -6.180 -5.444 1.00 0.00 C ATOM 1683 CD GLU A 102 8.457 -6.552 -6.478 1.00 0.00 C ATOM 1684 OE1 GLU A 102 9.015 -7.667 -6.384 1.00 0.00 O ATOM 1685 OE2 GLU A 102 8.719 -5.731 -7.381 1.00 0.00 O ATOM 0 H GLU A 102 9.631 -7.883 -2.982 1.00 0.00 H new ATOM 0 HA GLU A 102 9.533 -5.405 -4.290 1.00 0.00 H new ATOM 0 HB2 GLU A 102 7.963 -7.714 -4.057 1.00 0.00 H new ATOM 0 HB3 GLU A 102 6.946 -6.460 -3.375 1.00 0.00 H new ATOM 0 HG2 GLU A 102 6.458 -6.622 -5.723 1.00 0.00 H new ATOM 0 HG3 GLU A 102 7.278 -5.099 -5.444 1.00 0.00 H new ATOM 1692 N GLN A 103 8.331 -5.415 -1.219 1.00 0.00 N ATOM 1693 CA GLN A 103 7.925 -4.553 -0.116 1.00 0.00 C ATOM 1694 C GLN A 103 9.027 -3.549 0.222 1.00 0.00 C ATOM 1695 O GLN A 103 8.749 -2.388 0.519 1.00 0.00 O ATOM 1696 CB GLN A 103 7.585 -5.399 1.117 1.00 0.00 C ATOM 1697 CG GLN A 103 7.423 -4.591 2.396 1.00 0.00 C ATOM 1698 CD GLN A 103 8.586 -4.776 3.352 1.00 0.00 C ATOM 1699 OE1 GLN A 103 9.118 -5.876 3.493 1.00 0.00 O ATOM 1700 NE2 GLN A 103 8.986 -3.697 4.015 1.00 0.00 N ATOM 0 H GLN A 103 8.371 -6.407 -0.986 1.00 0.00 H new ATOM 0 HA GLN A 103 7.038 -3.998 -0.422 1.00 0.00 H new ATOM 0 HB2 GLN A 103 6.662 -5.947 0.926 1.00 0.00 H new ATOM 0 HB3 GLN A 103 8.371 -6.140 1.264 1.00 0.00 H new ATOM 0 HG2 GLN A 103 7.328 -3.535 2.145 1.00 0.00 H new ATOM 0 HG3 GLN A 103 6.498 -4.885 2.893 1.00 0.00 H new ATOM 0 HE21 GLN A 103 8.516 -2.804 3.867 1.00 0.00 H new ATOM 0 HE22 GLN A 103 9.764 -3.761 4.672 1.00 0.00 H new ATOM 1709 N GLN A 104 10.273 -4.005 0.175 1.00 0.00 N ATOM 1710 CA GLN A 104 11.411 -3.141 0.479 1.00 0.00 C ATOM 1711 C GLN A 104 11.517 -2.008 -0.537 1.00 0.00 C ATOM 1712 O GLN A 104 11.792 -0.863 -0.178 1.00 0.00 O ATOM 1713 CB GLN A 104 12.722 -3.940 0.496 1.00 0.00 C ATOM 1714 CG GLN A 104 12.570 -5.387 0.945 1.00 0.00 C ATOM 1715 CD GLN A 104 11.722 -5.533 2.192 1.00 0.00 C ATOM 1716 OE1 GLN A 104 11.411 -4.551 2.866 1.00 0.00 O ATOM 1717 NE2 GLN A 104 11.339 -6.767 2.505 1.00 0.00 N ATOM 0 H GLN A 104 10.522 -4.963 -0.069 1.00 0.00 H new ATOM 0 HA GLN A 104 11.245 -2.717 1.470 1.00 0.00 H new ATOM 0 HB2 GLN A 104 13.155 -3.926 -0.504 1.00 0.00 H new ATOM 0 HB3 GLN A 104 13.430 -3.440 1.157 1.00 0.00 H new ATOM 0 HG2 GLN A 104 12.123 -5.967 0.138 1.00 0.00 H new ATOM 0 HG3 GLN A 104 13.557 -5.809 1.132 1.00 0.00 H new ATOM 0 HE21 GLN A 104 11.620 -7.552 1.918 1.00 0.00 H new ATOM 0 HE22 GLN A 104 10.764 -6.928 3.332 1.00 0.00 H new ATOM 1726 N LYS A 105 11.299 -2.338 -1.806 1.00 0.00 N ATOM 1727 CA LYS A 105 11.373 -1.350 -2.876 1.00 0.00 C ATOM 1728 C LYS A 105 10.171 -0.413 -2.841 1.00 0.00 C ATOM 1729 O LYS A 105 10.319 0.803 -2.946 1.00 0.00 O ATOM 1730 CB LYS A 105 11.452 -2.049 -4.236 1.00 0.00 C ATOM 1731 CG LYS A 105 11.329 -1.100 -5.420 1.00 0.00 C ATOM 1732 CD LYS A 105 11.376 -1.848 -6.743 1.00 0.00 C ATOM 1733 CE LYS A 105 9.986 -2.019 -7.336 1.00 0.00 C ATOM 1734 NZ LYS A 105 10.038 -2.359 -8.784 1.00 0.00 N ATOM 0 H LYS A 105 11.070 -3.282 -2.118 1.00 0.00 H new ATOM 0 HA LYS A 105 12.274 -0.756 -2.726 1.00 0.00 H new ATOM 0 HB2 LYS A 105 12.400 -2.582 -4.306 1.00 0.00 H new ATOM 0 HB3 LYS A 105 10.661 -2.796 -4.297 1.00 0.00 H new ATOM 0 HG2 LYS A 105 10.393 -0.546 -5.347 1.00 0.00 H new ATOM 0 HG3 LYS A 105 12.136 -0.368 -5.386 1.00 0.00 H new ATOM 0 HD2 LYS A 105 12.009 -1.306 -7.446 1.00 0.00 H new ATOM 0 HD3 LYS A 105 11.832 -2.827 -6.593 1.00 0.00 H new ATOM 0 HE2 LYS A 105 9.456 -2.805 -6.798 1.00 0.00 H new ATOM 0 HE3 LYS A 105 9.417 -1.099 -7.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 9.071 -2.467 -9.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 10.521 -1.598 -9.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 10.558 -3.250 -8.913 1.00 0.00 H new ATOM 1748 N TRP A 106 8.979 -0.985 -2.703 1.00 0.00 N ATOM 1749 CA TRP A 106 7.755 -0.194 -2.667 1.00 0.00 C ATOM 1750 C TRP A 106 7.799 0.847 -1.553 1.00 0.00 C ATOM 1751 O TRP A 106 7.541 2.029 -1.781 1.00 0.00 O ATOM 1752 CB TRP A 106 6.542 -1.096 -2.474 1.00 0.00 C ATOM 1753 CG TRP A 106 5.833 -1.388 -3.753 1.00 0.00 C ATOM 1754 CD1 TRP A 106 6.107 -2.399 -4.616 1.00 0.00 C ATOM 1755 CD2 TRP A 106 4.746 -0.654 -4.325 1.00 0.00 C ATOM 1756 NE1 TRP A 106 5.245 -2.360 -5.683 1.00 0.00 N ATOM 1757 CE2 TRP A 106 4.401 -1.295 -5.530 1.00 0.00 C ATOM 1758 CE3 TRP A 106 4.024 0.475 -3.934 1.00 0.00 C ATOM 1759 CZ2 TRP A 106 3.369 -0.842 -6.345 1.00 0.00 C ATOM 1760 CZ3 TRP A 106 3.002 0.924 -4.749 1.00 0.00 C ATOM 1761 CH2 TRP A 106 2.683 0.265 -5.939 1.00 0.00 C ATOM 0 H TRP A 106 8.835 -1.991 -2.615 1.00 0.00 H new ATOM 0 HA TRP A 106 7.672 0.325 -3.622 1.00 0.00 H new ATOM 0 HB2 TRP A 106 6.860 -2.033 -2.018 1.00 0.00 H new ATOM 0 HB3 TRP A 106 5.849 -0.622 -1.779 1.00 0.00 H new ATOM 0 HD1 TRP A 106 6.891 -3.130 -4.482 1.00 0.00 H new ATOM 0 HE1 TRP A 106 5.235 -3.018 -6.463 1.00 0.00 H new ATOM 0 HE3 TRP A 106 4.259 0.987 -3.013 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 3.120 -1.348 -7.266 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 2.440 1.800 -4.461 1.00 0.00 H new ATOM 0 HH2 TRP A 106 1.876 0.640 -6.551 1.00 0.00 H new ATOM 1772 N VAL A 107 8.119 0.391 -0.348 1.00 0.00 N ATOM 1773 CA VAL A 107 8.187 1.266 0.815 1.00 0.00 C ATOM 1774 C VAL A 107 9.289 2.311 0.677 1.00 0.00 C ATOM 1775 O VAL A 107 9.053 3.501 0.879 1.00 0.00 O ATOM 1776 CB VAL A 107 8.425 0.452 2.104 1.00 0.00 C ATOM 1777 CG1 VAL A 107 8.352 1.348 3.331 1.00 0.00 C ATOM 1778 CG2 VAL A 107 7.422 -0.689 2.207 1.00 0.00 C ATOM 0 H VAL A 107 8.337 -0.586 -0.151 1.00 0.00 H new ATOM 0 HA VAL A 107 7.227 1.778 0.877 1.00 0.00 H new ATOM 0 HB VAL A 107 9.427 0.025 2.059 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.523 0.752 4.227 1.00 0.00 H new ATOM 0 HG12 VAL A 107 9.114 2.124 3.261 1.00 0.00 H new ATOM 0 HG13 VAL A 107 7.367 1.811 3.385 1.00 0.00 H new ATOM 0 HG21 VAL A 107 7.605 -1.252 3.122 1.00 0.00 H new ATOM 0 HG22 VAL A 107 6.410 -0.284 2.226 1.00 0.00 H new ATOM 0 HG23 VAL A 107 7.532 -1.349 1.346 1.00 0.00 H new ATOM 1788 N SER A 108 10.494 1.861 0.348 1.00 0.00 N ATOM 1789 CA SER A 108 11.633 2.762 0.203 1.00 0.00 C ATOM 1790 C SER A 108 11.435 3.742 -0.951 1.00 0.00 C ATOM 1791 O SER A 108 11.848 4.899 -0.868 1.00 0.00 O ATOM 1792 CB SER A 108 12.916 1.958 -0.012 1.00 0.00 C ATOM 1793 OG SER A 108 13.083 0.978 0.999 1.00 0.00 O ATOM 0 H SER A 108 10.708 0.879 0.177 1.00 0.00 H new ATOM 0 HA SER A 108 11.715 3.341 1.123 1.00 0.00 H new ATOM 0 HB2 SER A 108 12.886 1.475 -0.989 1.00 0.00 H new ATOM 0 HB3 SER A 108 13.774 2.631 -0.015 1.00 0.00 H new ATOM 0 HG SER A 108 12.450 0.244 0.851 1.00 0.00 H new ATOM 1799 N ARG A 109 10.812 3.276 -2.027 1.00 0.00 N ATOM 1800 CA ARG A 109 10.576 4.123 -3.190 1.00 0.00 C ATOM 1801 C ARG A 109 9.446 5.114 -2.933 1.00 0.00 C ATOM 1802 O ARG A 109 9.614 6.323 -3.102 1.00 0.00 O ATOM 1803 CB ARG A 109 10.250 3.263 -4.413 1.00 0.00 C ATOM 1804 CG ARG A 109 11.461 2.555 -4.998 1.00 0.00 C ATOM 1805 CD ARG A 109 11.803 3.083 -6.382 1.00 0.00 C ATOM 1806 NE ARG A 109 12.330 4.445 -6.336 1.00 0.00 N ATOM 1807 CZ ARG A 109 13.609 4.742 -6.113 1.00 0.00 C ATOM 1808 NH1 ARG A 109 14.497 3.776 -5.910 1.00 0.00 N ATOM 1809 NH2 ARG A 109 14.000 6.008 -6.093 1.00 0.00 N ATOM 0 H ARG A 109 10.463 2.322 -2.119 1.00 0.00 H new ATOM 0 HA ARG A 109 11.487 4.690 -3.382 1.00 0.00 H new ATOM 0 HB2 ARG A 109 9.503 2.519 -4.135 1.00 0.00 H new ATOM 0 HB3 ARG A 109 9.802 3.893 -5.181 1.00 0.00 H new ATOM 0 HG2 ARG A 109 12.316 2.688 -4.336 1.00 0.00 H new ATOM 0 HG3 ARG A 109 11.265 1.484 -5.055 1.00 0.00 H new ATOM 0 HD2 ARG A 109 12.537 2.426 -6.849 1.00 0.00 H new ATOM 0 HD3 ARG A 109 10.911 3.061 -7.009 1.00 0.00 H new ATOM 0 HE ARG A 109 11.678 5.216 -6.484 1.00 0.00 H new ATOM 0 HH11 ARG A 109 14.201 2.800 -5.924 1.00 0.00 H new ATOM 0 HH12 ARG A 109 15.475 4.010 -5.740 1.00 0.00 H new ATOM 0 HH21 ARG A 109 13.322 6.754 -6.248 1.00 0.00 H new ATOM 0 HH22 ARG A 109 14.979 6.237 -5.922 1.00 0.00 H new ATOM 1823 N LEU A 110 8.292 4.596 -2.529 1.00 0.00 N ATOM 1824 CA LEU A 110 7.133 5.438 -2.256 1.00 0.00 C ATOM 1825 C LEU A 110 7.421 6.418 -1.123 1.00 0.00 C ATOM 1826 O LEU A 110 6.968 7.562 -1.152 1.00 0.00 O ATOM 1827 CB LEU A 110 5.913 4.575 -1.921 1.00 0.00 C ATOM 1828 CG LEU A 110 5.902 3.970 -0.517 1.00 0.00 C ATOM 1829 CD1 LEU A 110 5.312 4.954 0.482 1.00 0.00 C ATOM 1830 CD2 LEU A 110 5.121 2.662 -0.506 1.00 0.00 C ATOM 0 H LEU A 110 8.134 3.599 -2.383 1.00 0.00 H new ATOM 0 HA LEU A 110 6.916 6.016 -3.154 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.016 5.182 -2.044 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.852 3.765 -2.648 1.00 0.00 H new ATOM 0 HG LEU A 110 6.930 3.758 -0.224 1.00 0.00 H new ATOM 0 HD11 LEU A 110 5.312 4.507 1.476 1.00 0.00 H new ATOM 0 HD12 LEU A 110 5.911 5.864 0.493 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.289 5.197 0.193 1.00 0.00 H new ATOM 0 HD21 LEU A 110 5.123 2.245 0.501 1.00 0.00 H new ATOM 0 HD22 LEU A 110 4.094 2.849 -0.819 1.00 0.00 H new ATOM 0 HD23 LEU A 110 5.586 1.955 -1.192 1.00 0.00 H new ATOM 1842 N VAL A 111 8.179 5.968 -0.127 1.00 0.00 N ATOM 1843 CA VAL A 111 8.524 6.819 1.007 1.00 0.00 C ATOM 1844 C VAL A 111 9.528 7.888 0.593 1.00 0.00 C ATOM 1845 O VAL A 111 9.401 9.053 0.970 1.00 0.00 O ATOM 1846 CB VAL A 111 9.096 5.999 2.184 1.00 0.00 C ATOM 1847 CG1 VAL A 111 10.522 5.549 1.900 1.00 0.00 C ATOM 1848 CG2 VAL A 111 9.030 6.804 3.473 1.00 0.00 C ATOM 0 H VAL A 111 8.564 5.025 -0.082 1.00 0.00 H new ATOM 0 HA VAL A 111 7.603 7.298 1.340 1.00 0.00 H new ATOM 0 HB VAL A 111 8.484 5.105 2.303 1.00 0.00 H new ATOM 0 HG11 VAL A 111 10.898 4.974 2.747 1.00 0.00 H new ATOM 0 HG12 VAL A 111 10.536 4.928 1.005 1.00 0.00 H new ATOM 0 HG13 VAL A 111 11.155 6.423 1.745 1.00 0.00 H new ATOM 0 HG21 VAL A 111 9.437 6.212 4.293 1.00 0.00 H new ATOM 0 HG22 VAL A 111 9.613 7.718 3.361 1.00 0.00 H new ATOM 0 HG23 VAL A 111 7.993 7.059 3.690 1.00 0.00 H new ATOM 1858 N LYS A 112 10.522 7.484 -0.193 1.00 0.00 N ATOM 1859 CA LYS A 112 11.543 8.409 -0.669 1.00 0.00 C ATOM 1860 C LYS A 112 10.904 9.541 -1.464 1.00 0.00 C ATOM 1861 O LYS A 112 11.394 10.671 -1.463 1.00 0.00 O ATOM 1862 CB LYS A 112 12.567 7.673 -1.534 1.00 0.00 C ATOM 1863 CG LYS A 112 13.774 7.175 -0.757 1.00 0.00 C ATOM 1864 CD LYS A 112 14.945 6.877 -1.679 1.00 0.00 C ATOM 1865 CE LYS A 112 15.940 8.026 -1.709 1.00 0.00 C ATOM 1866 NZ LYS A 112 17.145 7.741 -0.886 1.00 0.00 N ATOM 0 H LYS A 112 10.641 6.523 -0.513 1.00 0.00 H new ATOM 0 HA LYS A 112 12.054 8.833 0.195 1.00 0.00 H new ATOM 0 HB2 LYS A 112 12.080 6.825 -2.016 1.00 0.00 H new ATOM 0 HB3 LYS A 112 12.906 8.339 -2.327 1.00 0.00 H new ATOM 0 HG2 LYS A 112 14.069 7.924 -0.022 1.00 0.00 H new ATOM 0 HG3 LYS A 112 13.506 6.274 -0.204 1.00 0.00 H new ATOM 0 HD2 LYS A 112 15.448 5.968 -1.348 1.00 0.00 H new ATOM 0 HD3 LYS A 112 14.576 6.688 -2.687 1.00 0.00 H new ATOM 0 HE2 LYS A 112 16.241 8.218 -2.739 1.00 0.00 H new ATOM 0 HE3 LYS A 112 15.458 8.933 -1.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 17.797 8.550 -0.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 16.861 7.583 0.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 17.621 6.891 -1.250 1.00 0.00 H new ATOM 1880 N LYS A 113 9.802 9.227 -2.139 1.00 0.00 N ATOM 1881 CA LYS A 113 9.088 10.219 -2.936 1.00 0.00 C ATOM 1882 C LYS A 113 8.404 11.248 -2.039 1.00 0.00 C ATOM 1883 O LYS A 113 8.119 12.367 -2.467 1.00 0.00 O ATOM 1884 CB LYS A 113 8.055 9.535 -3.833 1.00 0.00 C ATOM 1885 CG LYS A 113 8.672 8.716 -4.956 1.00 0.00 C ATOM 1886 CD LYS A 113 8.068 9.070 -6.306 1.00 0.00 C ATOM 1887 CE LYS A 113 7.014 8.058 -6.731 1.00 0.00 C ATOM 1888 NZ LYS A 113 7.227 7.587 -8.126 1.00 0.00 N ATOM 0 H LYS A 113 9.385 8.296 -2.150 1.00 0.00 H new ATOM 0 HA LYS A 113 9.814 10.738 -3.562 1.00 0.00 H new ATOM 0 HB2 LYS A 113 7.429 8.885 -3.222 1.00 0.00 H new ATOM 0 HB3 LYS A 113 7.401 10.293 -4.264 1.00 0.00 H new ATOM 0 HG2 LYS A 113 9.748 8.887 -4.982 1.00 0.00 H new ATOM 0 HG3 LYS A 113 8.523 7.655 -4.757 1.00 0.00 H new ATOM 0 HD2 LYS A 113 7.621 10.063 -6.256 1.00 0.00 H new ATOM 0 HD3 LYS A 113 8.856 9.113 -7.058 1.00 0.00 H new ATOM 0 HE2 LYS A 113 7.035 7.205 -6.053 1.00 0.00 H new ATOM 0 HE3 LYS A 113 6.025 8.507 -6.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 6.369 7.108 -8.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 7.434 8.401 -8.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 8.027 6.923 -8.150 1.00 0.00 H new ATOM 1902 N ILE A 114 8.141 10.862 -0.793 1.00 0.00 N ATOM 1903 CA ILE A 114 7.490 11.751 0.163 1.00 0.00 C ATOM 1904 C ILE A 114 8.315 13.019 0.383 1.00 0.00 C ATOM 1905 O ILE A 114 9.536 12.954 0.523 1.00 0.00 O ATOM 1906 CB ILE A 114 7.272 11.050 1.521 1.00 0.00 C ATOM 1907 CG1 ILE A 114 6.523 9.730 1.325 1.00 0.00 C ATOM 1908 CG2 ILE A 114 6.511 11.957 2.477 1.00 0.00 C ATOM 1909 CD1 ILE A 114 6.286 8.975 2.614 1.00 0.00 C ATOM 0 H ILE A 114 8.369 9.939 -0.423 1.00 0.00 H new ATOM 0 HA ILE A 114 6.522 12.019 -0.259 1.00 0.00 H new ATOM 0 HB ILE A 114 8.247 10.834 1.957 1.00 0.00 H new ATOM 0 HG12 ILE A 114 5.563 9.933 0.850 1.00 0.00 H new ATOM 0 HG13 ILE A 114 7.090 9.098 0.641 1.00 0.00 H new ATOM 0 HG21 ILE A 114 6.368 11.444 3.428 1.00 0.00 H new ATOM 0 HG22 ILE A 114 7.080 12.873 2.640 1.00 0.00 H new ATOM 0 HG23 ILE A 114 5.540 12.205 2.048 1.00 0.00 H new ATOM 0 HD11 ILE A 114 5.751 8.050 2.401 1.00 0.00 H new ATOM 0 HD12 ILE A 114 7.243 8.741 3.080 1.00 0.00 H new ATOM 0 HD13 ILE A 114 5.693 9.589 3.292 1.00 0.00 H new ATOM 1921 N PRO A 115 7.659 14.192 0.417 1.00 0.00 N ATOM 1922 CA PRO A 115 8.342 15.472 0.622 1.00 0.00 C ATOM 1923 C PRO A 115 8.786 15.664 2.068 1.00 0.00 C ATOM 1924 O PRO A 115 9.881 16.160 2.332 1.00 0.00 O ATOM 1925 CB PRO A 115 7.277 16.501 0.248 1.00 0.00 C ATOM 1926 CG PRO A 115 5.983 15.826 0.545 1.00 0.00 C ATOM 1927 CD PRO A 115 6.200 14.363 0.260 1.00 0.00 C ATOM 0 HA PRO A 115 9.255 15.549 0.032 1.00 0.00 H new ATOM 0 HB2 PRO A 115 7.389 17.417 0.829 1.00 0.00 H new ATOM 0 HB3 PRO A 115 7.347 16.780 -0.803 1.00 0.00 H new ATOM 0 HG2 PRO A 115 5.692 15.982 1.584 1.00 0.00 H new ATOM 0 HG3 PRO A 115 5.182 16.229 -0.075 1.00 0.00 H new ATOM 0 HD2 PRO A 115 5.645 13.732 0.955 1.00 0.00 H new ATOM 0 HD3 PRO A 115 5.871 14.097 -0.744 1.00 0.00 H new ATOM 1935 N LYS A 116 7.925 15.272 3.003 1.00 0.00 N ATOM 1936 CA LYS A 116 8.227 15.403 4.423 1.00 0.00 C ATOM 1937 C LYS A 116 8.825 14.111 4.974 1.00 0.00 C ATOM 1938 O LYS A 116 8.443 13.647 6.049 1.00 0.00 O ATOM 1939 CB LYS A 116 6.961 15.766 5.203 1.00 0.00 C ATOM 1940 CG LYS A 116 6.656 17.255 5.208 1.00 0.00 C ATOM 1941 CD LYS A 116 5.165 17.517 5.353 1.00 0.00 C ATOM 1942 CE LYS A 116 4.897 18.906 5.912 1.00 0.00 C ATOM 1943 NZ LYS A 116 5.547 19.967 5.096 1.00 0.00 N ATOM 0 H LYS A 116 7.013 14.861 2.802 1.00 0.00 H new ATOM 0 HA LYS A 116 8.960 16.201 4.541 1.00 0.00 H new ATOM 0 HB2 LYS A 116 6.114 15.231 4.773 1.00 0.00 H new ATOM 0 HB3 LYS A 116 7.067 15.422 6.232 1.00 0.00 H new ATOM 0 HG2 LYS A 116 7.192 17.735 6.027 1.00 0.00 H new ATOM 0 HG3 LYS A 116 7.017 17.705 4.283 1.00 0.00 H new ATOM 0 HD2 LYS A 116 4.680 17.414 4.382 1.00 0.00 H new ATOM 0 HD3 LYS A 116 4.725 16.767 6.010 1.00 0.00 H new ATOM 0 HE2 LYS A 116 3.822 19.082 5.947 1.00 0.00 H new ATOM 0 HE3 LYS A 116 5.262 18.961 6.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 5.245 20.902 5.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 6.580 19.885 5.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 5.271 19.857 4.099 1.00 0.00 H new ATOM 1957 N LYS A 117 9.766 13.537 4.231 1.00 0.00 N ATOM 1958 CA LYS A 117 10.417 12.299 4.646 1.00 0.00 C ATOM 1959 C LYS A 117 11.269 12.524 5.891 1.00 0.00 C ATOM 1960 O LYS A 117 10.793 12.201 7.000 1.00 0.00 O ATOM 1961 CB LYS A 117 11.284 11.750 3.513 1.00 0.00 C ATOM 1962 CG LYS A 117 11.864 10.375 3.802 1.00 0.00 C ATOM 1963 CD LYS A 117 13.219 10.187 3.136 1.00 0.00 C ATOM 1964 CE LYS A 117 14.264 9.696 4.126 1.00 0.00 C ATOM 1965 NZ LYS A 117 15.638 10.119 3.740 1.00 0.00 N ATOM 1966 OXT LYS A 117 12.407 13.020 5.747 1.00 0.00 O ATOM 0 H LYS A 117 10.095 13.909 3.340 1.00 0.00 H new ATOM 0 HA LYS A 117 9.641 11.572 4.885 1.00 0.00 H new ATOM 0 HB2 LYS A 117 10.687 11.699 2.602 1.00 0.00 H new ATOM 0 HB3 LYS A 117 12.100 12.446 3.321 1.00 0.00 H new ATOM 0 HG2 LYS A 117 11.966 10.242 4.879 1.00 0.00 H new ATOM 0 HG3 LYS A 117 11.175 9.607 3.449 1.00 0.00 H new ATOM 0 HD2 LYS A 117 13.127 9.472 2.318 1.00 0.00 H new ATOM 0 HD3 LYS A 117 13.545 11.131 2.700 1.00 0.00 H new ATOM 0 HE2 LYS A 117 14.032 10.080 5.119 1.00 0.00 H new ATOM 0 HE3 LYS A 117 14.223 8.609 4.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 16.320 9.764 4.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 15.870 9.731 2.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 15.685 11.157 3.706 1.00 0.00 H new TER 1980 LYS A 117