USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 834 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 97 ASN : amide:sc= 0.952 K(o=2.2,f=-1.5) USER MOD Set 1.2: A 101 GLN : amide:sc= 1.22 K(o=2.2,f=-0.18) USER MOD Set 2.1: A 84 ASN : amide:sc= 1.14 K(o=1.1,f=-1.2) USER MOD Set 2.2: A 86 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 24 HIS : no HD1:sc= 0.459 K(o=0.97,f=-0.027) USER MOD Set 3.2: A 50 TYR OH : rot 83:sc= 0.507 USER MOD Set 4.1: A 6 ASN : amide:sc= 0.888 K(o=1.8,f=-0.56) USER MOD Set 4.2: A 25 ASN : amide:sc= 0.906 K(o=1.8,f=-0.56) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 132:sc= 2.33 (180deg=-0.429) USER MOD Single : A 9 HIS : no HE2:sc= 0.133 K(o=0.13,f=-11!) USER MOD Single : A 14 HIS : no HE2:sc= -0.169 K(o=-0.17,f=-0.92) USER MOD Single : A 15 ASN : amide:sc= -0.0761 K(o=-0.076,f=-0.77) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -120:sc= 1.08 (180deg=0.0505) USER MOD Single : A 19 SER OG : rot -7:sc= 1.02 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= -0.0594 USER MOD Single : A 28 CYS SG : rot -80:sc= 0.251 USER MOD Single : A 31 ASN : amide:sc= -0.0162 X(o=-0.016,f=-0.0059) USER MOD Single : A 32 ASN : amide:sc=-0.00409 K(o=-0.0041,f=-2.9!) USER MOD Single : A 33 GLN : amide:sc=-0.00599 K(o=-0.006,f=-1.1) USER MOD Single : A 35 MET CE :methyl -123:sc= -0.0282 (180deg=-3.35!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0427) USER MOD Single : A 42 LYS NZ :NH3+ 155:sc= -0.0831 (180deg=-0.383) USER MOD Single : A 43 SER OG : rot 81:sc= 1.18 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.446 X(o=-0.45,f=-0.22) USER MOD Single : A 52 SER OG : rot 180:sc= 0.0736 USER MOD Single : A 57 SER OG : rot 180:sc= 0.00707 USER MOD Single : A 59 LYS NZ :NH3+ 151:sc= 1.28 (180deg=1.06) USER MOD Single : A 63 CYS SG : rot 96:sc= -1.26 USER MOD Single : A 69 TYR OH : rot 180:sc= -0.0218 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00499) USER MOD Single : A 72 LYS NZ :NH3+ -159:sc= 0.588 (180deg=-0.202) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HD1:sc= -0.502 X(o=-0.5,f=-0.16) USER MOD Single : A 77 LYS NZ :NH3+ -147:sc= 1.26 (180deg=-0.499) USER MOD Single : A 81 SER OG : rot 127:sc= 1.26 USER MOD Single : A 89 GLN : amide:sc= 1.15 K(o=1.2,f=-0.0055) USER MOD Single : A 91 LYS NZ :NH3+ -152:sc= 1.75 (180deg=1.63) USER MOD Single : A 96 MET CE :methyl 157:sc= -0.328 (180deg=-0.991) USER MOD Single : A 98 THR OG1 : rot 91:sc= 1.26 USER MOD Single : A 104 SER OG : rot 87:sc= 1.3 USER MOD Single : A 105 SER OG : rot 77:sc= 0.509 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.459 -13.929 -16.396 1.00 1.74 N ATOM 2 CA MET A 1 -9.747 -12.528 -16.786 1.00 1.02 C ATOM 3 C MET A 1 -9.726 -11.639 -15.546 1.00 0.87 C ATOM 4 O MET A 1 -10.547 -11.800 -14.640 1.00 1.29 O ATOM 5 CB MET A 1 -11.108 -12.417 -17.493 1.00 1.60 C ATOM 6 CG MET A 1 -11.258 -11.081 -18.228 1.00 2.33 C ATOM 7 SD MET A 1 -10.205 -10.979 -19.690 1.00 3.31 S ATOM 8 CE MET A 1 -10.201 -9.204 -20.005 1.00 4.33 C ATOM 0 H1 MET A 1 -9.473 -14.535 -17.241 1.00 1.74 H new ATOM 0 H2 MET A 1 -8.521 -13.979 -15.950 1.00 1.74 H new ATOM 0 H3 MET A 1 -10.180 -14.257 -15.723 1.00 1.74 H new ATOM 0 HA MET A 1 -8.978 -12.199 -17.485 1.00 1.02 H new ATOM 0 HB2 MET A 1 -11.217 -13.237 -18.203 1.00 1.60 H new ATOM 0 HB3 MET A 1 -11.908 -12.521 -16.760 1.00 1.60 H new ATOM 0 HG2 MET A 1 -12.299 -10.946 -18.523 1.00 2.33 H new ATOM 0 HG3 MET A 1 -11.011 -10.266 -17.548 1.00 2.33 H new ATOM 0 HE1 MET A 1 -9.589 -8.991 -20.882 1.00 4.33 H new ATOM 0 HE2 MET A 1 -11.221 -8.864 -20.184 1.00 4.33 H new ATOM 0 HE3 MET A 1 -9.791 -8.682 -19.141 1.00 4.33 H new ATOM 20 N GLU A 2 -8.781 -10.703 -15.512 1.00 0.51 N ATOM 21 CA GLU A 2 -8.632 -9.779 -14.390 1.00 0.37 C ATOM 22 C GLU A 2 -8.057 -8.453 -14.889 1.00 0.34 C ATOM 23 O GLU A 2 -7.202 -8.422 -15.777 1.00 0.48 O ATOM 24 CB GLU A 2 -7.784 -10.442 -13.276 1.00 0.53 C ATOM 25 CG GLU A 2 -6.535 -9.658 -12.870 1.00 0.96 C ATOM 26 CD GLU A 2 -5.357 -9.969 -13.788 1.00 1.61 C ATOM 27 OE1 GLU A 2 -5.400 -10.987 -14.505 1.00 2.16 O ATOM 28 OE2 GLU A 2 -4.378 -9.201 -13.786 1.00 2.09 O ATOM 0 H GLU A 2 -8.099 -10.564 -16.258 1.00 0.51 H new ATOM 0 HA GLU A 2 -9.602 -9.551 -13.947 1.00 0.37 H new ATOM 0 HB2 GLU A 2 -8.411 -10.581 -12.395 1.00 0.53 H new ATOM 0 HB3 GLU A 2 -7.481 -11.434 -13.611 1.00 0.53 H new ATOM 0 HG2 GLU A 2 -6.749 -8.590 -12.900 1.00 0.96 H new ATOM 0 HG3 GLU A 2 -6.270 -9.901 -11.841 1.00 0.96 H new ATOM 35 N GLY A 3 -8.548 -7.359 -14.311 1.00 0.25 N ATOM 36 CA GLY A 3 -8.115 -6.012 -14.681 1.00 0.28 C ATOM 37 C GLY A 3 -9.056 -4.964 -14.093 1.00 0.22 C ATOM 38 O GLY A 3 -10.019 -5.294 -13.391 1.00 0.22 O ATOM 0 H GLY A 3 -9.255 -7.380 -13.576 1.00 0.25 H new ATOM 0 HA2 GLY A 3 -7.100 -5.839 -14.323 1.00 0.28 H new ATOM 0 HA3 GLY A 3 -8.090 -5.918 -15.767 1.00 0.28 H new ATOM 42 N PHE A 4 -8.774 -3.698 -14.391 1.00 0.24 N ATOM 43 CA PHE A 4 -9.587 -2.575 -13.911 1.00 0.21 C ATOM 44 C PHE A 4 -10.833 -2.422 -14.775 1.00 0.22 C ATOM 45 O PHE A 4 -10.802 -2.667 -15.983 1.00 0.27 O ATOM 46 CB PHE A 4 -8.783 -1.271 -13.946 1.00 0.23 C ATOM 47 CG PHE A 4 -7.912 -1.066 -12.726 1.00 0.26 C ATOM 48 CD1 PHE A 4 -8.486 -0.827 -11.485 1.00 0.30 C ATOM 49 CD2 PHE A 4 -6.532 -1.124 -12.845 1.00 0.34 C ATOM 50 CE1 PHE A 4 -7.682 -0.646 -10.372 1.00 0.37 C ATOM 51 CE2 PHE A 4 -5.728 -0.940 -11.733 1.00 0.41 C ATOM 52 CZ PHE A 4 -6.328 -0.679 -10.481 1.00 0.41 C ATOM 0 H PHE A 4 -7.981 -3.419 -14.968 1.00 0.24 H new ATOM 0 HA PHE A 4 -9.880 -2.784 -12.882 1.00 0.21 H new ATOM 0 HB2 PHE A 4 -8.154 -1.265 -14.837 1.00 0.23 H new ATOM 0 HB3 PHE A 4 -9.472 -0.431 -14.036 1.00 0.23 H new ATOM 0 HD1 PHE A 4 -9.561 -0.782 -11.387 1.00 0.30 H new ATOM 0 HD2 PHE A 4 -6.083 -1.313 -13.809 1.00 0.34 H new ATOM 0 HE1 PHE A 4 -8.136 -0.477 -9.407 1.00 0.37 H new ATOM 0 HE2 PHE A 4 -4.653 -0.995 -11.822 1.00 0.41 H new ATOM 0 HZ PHE A 4 -5.711 -0.506 -9.611 1.00 0.41 H new ATOM 62 N LEU A 5 -11.918 -2.002 -14.152 1.00 0.19 N ATOM 63 CA LEU A 5 -13.188 -1.798 -14.843 1.00 0.21 C ATOM 64 C LEU A 5 -13.951 -0.648 -14.190 1.00 0.20 C ATOM 65 O LEU A 5 -13.922 -0.488 -12.968 1.00 0.21 O ATOM 66 CB LEU A 5 -14.044 -3.074 -14.768 1.00 0.23 C ATOM 67 CG LEU A 5 -13.944 -3.923 -16.039 1.00 0.24 C ATOM 68 CD1 LEU A 5 -14.734 -5.218 -15.867 1.00 0.27 C ATOM 69 CD2 LEU A 5 -14.448 -3.149 -17.259 1.00 0.31 C ATOM 0 H LEU A 5 -11.949 -1.792 -13.154 1.00 0.19 H new ATOM 0 HA LEU A 5 -12.983 -1.561 -15.887 1.00 0.21 H new ATOM 0 HB2 LEU A 5 -13.728 -3.670 -13.911 1.00 0.23 H new ATOM 0 HB3 LEU A 5 -15.085 -2.800 -14.599 1.00 0.23 H new ATOM 0 HG LEU A 5 -12.895 -4.167 -16.206 1.00 0.24 H new ATOM 0 HD11 LEU A 5 -14.657 -5.815 -16.776 1.00 0.27 H new ATOM 0 HD12 LEU A 5 -14.329 -5.782 -15.027 1.00 0.27 H new ATOM 0 HD13 LEU A 5 -15.781 -4.983 -15.675 1.00 0.27 H new ATOM 0 HD21 LEU A 5 -14.365 -3.776 -18.147 1.00 0.31 H new ATOM 0 HD22 LEU A 5 -15.491 -2.870 -17.107 1.00 0.31 H new ATOM 0 HD23 LEU A 5 -13.847 -2.249 -17.393 1.00 0.31 H new ATOM 81 N ASN A 6 -14.681 0.114 -15.000 1.00 0.22 N ATOM 82 CA ASN A 6 -15.508 1.209 -14.492 1.00 0.23 C ATOM 83 C ASN A 6 -16.838 0.594 -14.086 1.00 0.22 C ATOM 84 O ASN A 6 -17.555 0.068 -14.929 1.00 0.26 O ATOM 85 CB ASN A 6 -15.676 2.305 -15.561 1.00 0.28 C ATOM 86 CG ASN A 6 -14.999 3.600 -15.109 1.00 0.72 C ATOM 87 OD1 ASN A 6 -13.797 3.623 -14.838 1.00 1.49 O ATOM 88 ND2 ASN A 6 -15.763 4.680 -15.032 1.00 1.24 N ATOM 0 H ASN A 6 -14.718 -0.005 -16.012 1.00 0.22 H new ATOM 0 HA ASN A 6 -15.045 1.697 -13.635 1.00 0.23 H new ATOM 0 HB2 ASN A 6 -15.243 1.971 -16.504 1.00 0.28 H new ATOM 0 HB3 ASN A 6 -16.736 2.485 -15.742 1.00 0.28 H new ATOM 0 HD21 ASN A 6 -15.360 5.570 -14.740 1.00 1.24 H new ATOM 0 HD22 ASN A 6 -16.754 4.621 -15.265 1.00 1.24 H new ATOM 95 N ARG A 7 -17.121 0.589 -12.787 1.00 0.23 N ATOM 96 CA ARG A 7 -18.329 -0.041 -12.254 1.00 0.24 C ATOM 97 C ARG A 7 -19.341 0.984 -11.750 1.00 0.25 C ATOM 98 O ARG A 7 -19.000 1.914 -11.016 1.00 0.32 O ATOM 99 CB ARG A 7 -17.928 -0.977 -11.110 1.00 0.28 C ATOM 100 CG ARG A 7 -19.105 -1.811 -10.605 1.00 0.34 C ATOM 101 CD ARG A 7 -18.654 -2.786 -9.516 1.00 0.54 C ATOM 102 NE ARG A 7 -19.782 -3.600 -9.057 1.00 0.95 N ATOM 103 CZ ARG A 7 -20.102 -3.701 -7.770 1.00 1.16 C ATOM 104 NH1 ARG A 7 -20.879 -2.782 -7.213 1.00 1.71 N ATOM 105 NH2 ARG A 7 -19.635 -4.710 -7.050 1.00 1.46 N ATOM 0 H ARG A 7 -16.526 1.017 -12.077 1.00 0.23 H new ATOM 0 HA ARG A 7 -18.809 -0.596 -13.060 1.00 0.24 H new ATOM 0 HB2 ARG A 7 -17.133 -1.642 -11.449 1.00 0.28 H new ATOM 0 HB3 ARG A 7 -17.523 -0.389 -10.287 1.00 0.28 H new ATOM 0 HG2 ARG A 7 -19.880 -1.153 -10.212 1.00 0.34 H new ATOM 0 HG3 ARG A 7 -19.547 -2.364 -11.434 1.00 0.34 H new ATOM 0 HD2 ARG A 7 -17.865 -3.432 -9.902 1.00 0.54 H new ATOM 0 HD3 ARG A 7 -18.232 -2.233 -8.677 1.00 0.54 H new ATOM 0 HE ARG A 7 -20.339 -4.105 -9.746 1.00 0.95 H new ATOM 0 HH11 ARG A 7 -21.228 -2.003 -7.771 1.00 1.71 H new ATOM 0 HH12 ARG A 7 -21.128 -2.854 -6.226 1.00 1.71 H new ATOM 0 HH21 ARG A 7 -19.031 -5.409 -7.483 1.00 1.46 H new ATOM 0 HH22 ARG A 7 -19.880 -4.788 -6.063 1.00 1.46 H new ATOM 119 N LYS A 8 -20.593 0.766 -12.125 1.00 0.27 N ATOM 120 CA LYS A 8 -21.714 1.602 -11.712 1.00 0.29 C ATOM 121 C LYS A 8 -22.901 0.689 -11.466 1.00 0.29 C ATOM 122 O LYS A 8 -23.421 0.078 -12.401 1.00 0.38 O ATOM 123 CB LYS A 8 -22.059 2.632 -12.799 1.00 0.36 C ATOM 124 CG LYS A 8 -23.234 3.549 -12.393 1.00 0.37 C ATOM 125 CD LYS A 8 -24.288 3.675 -13.510 1.00 0.50 C ATOM 126 CE LYS A 8 -25.485 2.737 -13.289 1.00 0.62 C ATOM 127 NZ LYS A 8 -26.463 3.305 -12.317 1.00 1.02 N ATOM 0 H LYS A 8 -20.864 -0.007 -12.733 1.00 0.27 H new ATOM 0 HA LYS A 8 -21.454 2.153 -10.808 1.00 0.29 H new ATOM 0 HB2 LYS A 8 -21.181 3.243 -13.008 1.00 0.36 H new ATOM 0 HB3 LYS A 8 -22.311 2.110 -13.722 1.00 0.36 H new ATOM 0 HG2 LYS A 8 -23.706 3.154 -11.493 1.00 0.37 H new ATOM 0 HG3 LYS A 8 -22.851 4.539 -12.144 1.00 0.37 H new ATOM 0 HD2 LYS A 8 -24.641 4.705 -13.560 1.00 0.50 H new ATOM 0 HD3 LYS A 8 -23.825 3.450 -14.471 1.00 0.50 H new ATOM 0 HE2 LYS A 8 -25.984 2.554 -14.241 1.00 0.62 H new ATOM 0 HE3 LYS A 8 -25.129 1.773 -12.925 1.00 0.62 H new ATOM 0 HZ1 LYS A 8 -27.424 3.230 -12.708 1.00 1.02 H new ATOM 0 HZ2 LYS A 8 -26.411 2.777 -11.423 1.00 1.02 H new ATOM 0 HZ3 LYS A 8 -26.237 4.305 -12.142 1.00 1.02 H new ATOM 141 N HIS A 9 -23.333 0.589 -10.217 1.00 0.43 N ATOM 142 CA HIS A 9 -24.471 -0.261 -9.877 1.00 0.52 C ATOM 143 C HIS A 9 -25.778 0.436 -10.281 1.00 0.58 C ATOM 144 O HIS A 9 -25.918 1.653 -10.141 1.00 0.73 O ATOM 145 CB HIS A 9 -24.446 -0.645 -8.382 1.00 0.68 C ATOM 146 CG HIS A 9 -24.712 0.472 -7.412 1.00 0.88 C ATOM 147 ND1 HIS A 9 -25.060 0.245 -6.110 1.00 1.21 N ATOM 148 CD2 HIS A 9 -24.687 1.823 -7.537 1.00 1.22 C ATOM 149 CE1 HIS A 9 -25.241 1.368 -5.468 1.00 1.69 C ATOM 150 NE2 HIS A 9 -25.021 2.362 -6.312 1.00 1.75 N ATOM 0 H HIS A 9 -22.918 1.081 -9.426 1.00 0.43 H new ATOM 0 HA HIS A 9 -24.405 -1.194 -10.437 1.00 0.52 H new ATOM 0 HB2 HIS A 9 -25.186 -1.428 -8.216 1.00 0.68 H new ATOM 0 HB3 HIS A 9 -23.470 -1.074 -8.153 1.00 0.68 H new ATOM 0 HD1 HIS A 9 -25.165 -0.680 -5.694 1.00 1.21 H new ATOM 0 HD2 HIS A 9 -24.449 2.376 -8.433 1.00 1.22 H new ATOM 0 HE1 HIS A 9 -25.521 1.467 -4.430 1.00 1.69 H new ATOM 158 N GLU A 10 -26.710 -0.339 -10.814 1.00 0.60 N ATOM 159 CA GLU A 10 -27.999 0.184 -11.266 1.00 0.73 C ATOM 160 C GLU A 10 -29.107 -0.322 -10.349 1.00 0.83 C ATOM 161 O GLU A 10 -29.885 0.469 -9.818 1.00 1.00 O ATOM 162 CB GLU A 10 -28.236 -0.249 -12.722 1.00 0.79 C ATOM 163 CG GLU A 10 -29.609 0.185 -13.255 1.00 1.28 C ATOM 164 CD GLU A 10 -29.576 1.627 -13.743 1.00 1.19 C ATOM 165 OE1 GLU A 10 -28.723 2.407 -13.273 1.00 1.52 O ATOM 166 OE2 GLU A 10 -30.415 1.980 -14.595 1.00 1.72 O ATOM 0 H GLU A 10 -26.599 -1.344 -10.947 1.00 0.60 H new ATOM 0 HA GLU A 10 -27.999 1.273 -11.225 1.00 0.73 H new ATOM 0 HB2 GLU A 10 -27.455 0.175 -13.354 1.00 0.79 H new ATOM 0 HB3 GLU A 10 -28.150 -1.333 -12.793 1.00 0.79 H new ATOM 0 HG2 GLU A 10 -29.910 -0.472 -14.071 1.00 1.28 H new ATOM 0 HG3 GLU A 10 -30.357 0.081 -12.469 1.00 1.28 H new ATOM 173 N TRP A 11 -29.166 -1.639 -10.160 1.00 0.82 N ATOM 174 CA TRP A 11 -30.176 -2.253 -9.302 1.00 0.96 C ATOM 175 C TRP A 11 -29.519 -3.249 -8.348 1.00 0.94 C ATOM 176 O TRP A 11 -28.871 -4.209 -8.776 1.00 0.84 O ATOM 177 CB TRP A 11 -31.245 -2.951 -10.161 1.00 1.08 C ATOM 178 CG TRP A 11 -32.471 -3.328 -9.382 1.00 1.26 C ATOM 179 CD1 TRP A 11 -33.486 -2.500 -9.000 1.00 1.54 C ATOM 180 CD2 TRP A 11 -32.806 -4.638 -8.884 1.00 1.26 C ATOM 181 NE1 TRP A 11 -34.407 -3.228 -8.301 1.00 1.67 N ATOM 182 CE2 TRP A 11 -34.028 -4.529 -8.211 1.00 1.51 C ATOM 183 CE3 TRP A 11 -32.187 -5.884 -8.946 1.00 1.19 C ATOM 184 CZ2 TRP A 11 -34.635 -5.619 -7.611 1.00 1.62 C ATOM 185 CZ3 TRP A 11 -32.788 -6.981 -8.345 1.00 1.35 C ATOM 186 CH2 TRP A 11 -33.999 -6.849 -7.683 1.00 1.53 C ATOM 0 H TRP A 11 -28.523 -2.303 -10.592 1.00 0.82 H new ATOM 0 HA TRP A 11 -30.660 -1.476 -8.711 1.00 0.96 H new ATOM 0 HB2 TRP A 11 -31.531 -2.292 -10.981 1.00 1.08 H new ATOM 0 HB3 TRP A 11 -30.815 -3.848 -10.608 1.00 1.08 H new ATOM 0 HD1 TRP A 11 -33.551 -1.444 -9.215 1.00 1.54 H new ATOM 0 HE1 TRP A 11 -35.264 -2.846 -7.901 1.00 1.67 H new ATOM 0 HE3 TRP A 11 -31.244 -5.996 -9.459 1.00 1.19 H new ATOM 0 HZ2 TRP A 11 -35.580 -5.514 -7.100 1.00 1.62 H new ATOM 0 HZ3 TRP A 11 -32.308 -7.947 -8.393 1.00 1.35 H new ATOM 0 HH2 TRP A 11 -34.451 -7.713 -7.219 1.00 1.53 H new ATOM 197 N GLU A 12 -29.712 -3.009 -7.054 1.00 1.16 N ATOM 198 CA GLU A 12 -29.178 -3.862 -5.988 1.00 1.26 C ATOM 199 C GLU A 12 -30.287 -4.169 -4.980 1.00 1.56 C ATOM 200 O GLU A 12 -30.435 -5.309 -4.524 1.00 2.03 O ATOM 201 CB GLU A 12 -28.021 -3.159 -5.270 1.00 1.34 C ATOM 202 CG GLU A 12 -26.772 -3.061 -6.159 1.00 1.63 C ATOM 203 CD GLU A 12 -25.506 -3.053 -5.309 1.00 1.81 C ATOM 204 OE1 GLU A 12 -25.459 -3.765 -4.290 1.00 2.05 O ATOM 205 OE2 GLU A 12 -24.548 -2.336 -5.661 1.00 2.09 O ATOM 0 H GLU A 12 -30.247 -2.212 -6.710 1.00 1.16 H new ATOM 0 HA GLU A 12 -28.810 -4.788 -6.429 1.00 1.26 H new ATOM 0 HB2 GLU A 12 -28.333 -2.158 -4.971 1.00 1.34 H new ATOM 0 HB3 GLU A 12 -27.776 -3.703 -4.358 1.00 1.34 H new ATOM 0 HG2 GLU A 12 -26.746 -3.902 -6.852 1.00 1.63 H new ATOM 0 HG3 GLU A 12 -26.818 -2.153 -6.761 1.00 1.63 H new ATOM 212 N ALA A 13 -31.062 -3.133 -4.645 1.00 1.77 N ATOM 213 CA ALA A 13 -32.174 -3.237 -3.694 1.00 2.14 C ATOM 214 C ALA A 13 -33.485 -2.830 -4.367 1.00 2.15 C ATOM 215 O ALA A 13 -33.482 -2.147 -5.396 1.00 2.54 O ATOM 216 CB ALA A 13 -31.904 -2.332 -2.485 1.00 2.70 C ATOM 0 H ALA A 13 -30.936 -2.196 -5.027 1.00 1.77 H new ATOM 0 HA ALA A 13 -32.259 -4.271 -3.359 1.00 2.14 H new ATOM 0 HB1 ALA A 13 -32.731 -2.411 -1.780 1.00 2.70 H new ATOM 0 HB2 ALA A 13 -30.980 -2.643 -1.997 1.00 2.70 H new ATOM 0 HB3 ALA A 13 -31.808 -1.299 -2.818 1.00 2.70 H new ATOM 222 N HIS A 14 -34.606 -3.243 -3.775 1.00 2.38 N ATOM 223 CA HIS A 14 -35.937 -2.921 -4.313 1.00 2.81 C ATOM 224 C HIS A 14 -36.302 -1.460 -4.012 1.00 2.77 C ATOM 225 O HIS A 14 -37.066 -1.169 -3.091 1.00 3.31 O ATOM 226 CB HIS A 14 -37.024 -3.886 -3.771 1.00 3.51 C ATOM 227 CG HIS A 14 -36.895 -4.257 -2.315 1.00 3.99 C ATOM 228 ND1 HIS A 14 -37.258 -3.431 -1.280 1.00 4.73 N ATOM 229 CD2 HIS A 14 -36.456 -5.394 -1.715 1.00 4.33 C ATOM 230 CE1 HIS A 14 -37.058 -4.012 -0.121 1.00 5.34 C ATOM 231 NE2 HIS A 14 -36.566 -5.220 -0.347 1.00 5.13 N ATOM 0 H HIS A 14 -34.623 -3.802 -2.922 1.00 2.38 H new ATOM 0 HA HIS A 14 -35.897 -3.052 -5.394 1.00 2.81 H new ATOM 0 HB2 HIS A 14 -38.001 -3.429 -3.926 1.00 3.51 H new ATOM 0 HB3 HIS A 14 -37.002 -4.800 -4.364 1.00 3.51 H new ATOM 0 HD1 HIS A 14 -37.634 -2.490 -1.397 1.00 4.73 H new ATOM 0 HD2 HIS A 14 -36.087 -6.276 -2.217 1.00 4.33 H new ATOM 0 HE1 HIS A 14 -37.260 -3.580 0.848 1.00 5.34 H new ATOM 239 N ASN A 15 -35.744 -0.547 -4.809 1.00 2.64 N ATOM 240 CA ASN A 15 -35.993 0.895 -4.664 1.00 2.83 C ATOM 241 C ASN A 15 -35.802 1.599 -6.019 1.00 2.48 C ATOM 242 O ASN A 15 -35.431 2.773 -6.076 1.00 2.96 O ATOM 243 CB ASN A 15 -35.046 1.489 -3.602 1.00 3.64 C ATOM 244 CG ASN A 15 -35.620 2.780 -3.003 1.00 4.19 C ATOM 245 OD1 ASN A 15 -36.819 2.874 -2.726 1.00 4.25 O ATOM 246 ND2 ASN A 15 -34.766 3.772 -2.798 1.00 4.99 N ATOM 0 H ASN A 15 -35.108 -0.781 -5.572 1.00 2.64 H new ATOM 0 HA ASN A 15 -37.020 1.051 -4.335 1.00 2.83 H new ATOM 0 HB2 ASN A 15 -34.882 0.759 -2.809 1.00 3.64 H new ATOM 0 HB3 ASN A 15 -34.075 1.695 -4.052 1.00 3.64 H new ATOM 0 HD21 ASN A 15 -35.093 4.652 -2.398 1.00 4.99 H new ATOM 0 HD22 ASN A 15 -33.782 3.656 -3.040 1.00 4.99 H new ATOM 253 N LYS A 16 -36.069 0.858 -7.103 1.00 2.30 N ATOM 254 CA LYS A 16 -35.959 1.349 -8.489 1.00 2.46 C ATOM 255 C LYS A 16 -34.495 1.459 -8.943 1.00 2.10 C ATOM 256 O LYS A 16 -34.110 0.870 -9.956 1.00 2.44 O ATOM 257 CB LYS A 16 -36.679 2.701 -8.660 1.00 3.26 C ATOM 258 CG LYS A 16 -37.231 2.858 -10.082 1.00 3.87 C ATOM 259 CD LYS A 16 -37.381 4.333 -10.476 1.00 4.83 C ATOM 260 CE LYS A 16 -38.726 4.599 -11.158 1.00 5.52 C ATOM 261 NZ LYS A 16 -39.832 4.747 -10.166 1.00 6.03 N ATOM 0 H LYS A 16 -36.372 -0.114 -7.044 1.00 2.30 H new ATOM 0 HA LYS A 16 -36.450 0.613 -9.126 1.00 2.46 H new ATOM 0 HB2 LYS A 16 -37.494 2.776 -7.940 1.00 3.26 H new ATOM 0 HB3 LYS A 16 -35.987 3.515 -8.444 1.00 3.26 H new ATOM 0 HG2 LYS A 16 -36.566 2.359 -10.787 1.00 3.87 H new ATOM 0 HG3 LYS A 16 -38.199 2.363 -10.153 1.00 3.87 H new ATOM 0 HD2 LYS A 16 -37.293 4.959 -9.588 1.00 4.83 H new ATOM 0 HD3 LYS A 16 -36.570 4.616 -11.147 1.00 4.83 H new ATOM 0 HE2 LYS A 16 -38.655 5.504 -11.761 1.00 5.52 H new ATOM 0 HE3 LYS A 16 -38.956 3.780 -11.839 1.00 5.52 H new ATOM 0 HZ1 LYS A 16 -40.726 4.926 -10.667 1.00 6.03 H new ATOM 0 HZ2 LYS A 16 -39.917 3.874 -9.608 1.00 6.03 H new ATOM 0 HZ3 LYS A 16 -39.625 5.545 -9.532 1.00 6.03 H new ATOM 275 N LYS A 17 -33.690 2.226 -8.208 1.00 1.88 N ATOM 276 CA LYS A 17 -32.275 2.430 -8.545 1.00 1.62 C ATOM 277 C LYS A 17 -31.426 2.561 -7.275 1.00 1.62 C ATOM 278 O LYS A 17 -31.899 2.334 -6.156 1.00 2.06 O ATOM 279 CB LYS A 17 -32.123 3.693 -9.418 1.00 1.84 C ATOM 280 CG LYS A 17 -32.865 3.562 -10.753 1.00 2.30 C ATOM 281 CD LYS A 17 -32.658 4.799 -11.638 1.00 2.75 C ATOM 282 CE LYS A 17 -31.753 4.493 -12.836 1.00 3.27 C ATOM 283 NZ LYS A 17 -32.374 3.508 -13.772 1.00 3.75 N ATOM 0 H LYS A 17 -33.993 2.721 -7.369 1.00 1.88 H new ATOM 0 HA LYS A 17 -31.922 1.562 -9.103 1.00 1.62 H new ATOM 0 HB2 LYS A 17 -32.505 4.557 -8.875 1.00 1.84 H new ATOM 0 HB3 LYS A 17 -31.066 3.877 -9.608 1.00 1.84 H new ATOM 0 HG2 LYS A 17 -32.514 2.674 -11.279 1.00 2.30 H new ATOM 0 HG3 LYS A 17 -33.930 3.422 -10.566 1.00 2.30 H new ATOM 0 HD2 LYS A 17 -33.624 5.158 -11.994 1.00 2.75 H new ATOM 0 HD3 LYS A 17 -32.218 5.601 -11.045 1.00 2.75 H new ATOM 0 HE2 LYS A 17 -31.538 5.417 -13.373 1.00 3.27 H new ATOM 0 HE3 LYS A 17 -30.800 4.103 -12.479 1.00 3.27 H new ATOM 0 HZ1 LYS A 17 -31.766 2.668 -13.846 1.00 3.75 H new ATOM 0 HZ2 LYS A 17 -33.309 3.228 -13.412 1.00 3.75 H new ATOM 0 HZ3 LYS A 17 -32.481 3.941 -14.711 1.00 3.75 H new ATOM 297 N ALA A 18 -30.159 2.926 -7.472 1.00 1.43 N ATOM 298 CA ALA A 18 -29.189 3.106 -6.384 1.00 1.61 C ATOM 299 C ALA A 18 -28.185 4.203 -6.762 1.00 1.86 C ATOM 300 O ALA A 18 -28.136 4.634 -7.923 1.00 2.10 O ATOM 301 CB ALA A 18 -28.456 1.787 -6.119 1.00 1.58 C ATOM 0 H ALA A 18 -29.771 3.107 -8.398 1.00 1.43 H new ATOM 0 HA ALA A 18 -29.715 3.405 -5.477 1.00 1.61 H new ATOM 0 HB1 ALA A 18 -27.738 1.926 -5.311 1.00 1.58 H new ATOM 0 HB2 ALA A 18 -29.177 1.021 -5.835 1.00 1.58 H new ATOM 0 HB3 ALA A 18 -27.931 1.475 -7.022 1.00 1.58 H new ATOM 307 N SER A 19 -27.387 4.653 -5.789 1.00 2.24 N ATOM 308 CA SER A 19 -26.381 5.701 -6.014 1.00 2.71 C ATOM 309 C SER A 19 -25.314 5.679 -4.909 1.00 2.85 C ATOM 310 O SER A 19 -25.287 6.548 -4.033 1.00 3.33 O ATOM 311 CB SER A 19 -27.053 7.084 -6.074 1.00 3.28 C ATOM 312 OG SER A 19 -27.943 7.165 -7.183 1.00 3.62 O ATOM 0 H SER A 19 -27.417 4.306 -4.830 1.00 2.24 H new ATOM 0 HA SER A 19 -25.893 5.505 -6.968 1.00 2.71 H new ATOM 0 HB2 SER A 19 -27.599 7.269 -5.149 1.00 3.28 H new ATOM 0 HB3 SER A 19 -26.292 7.860 -6.155 1.00 3.28 H new ATOM 0 HG SER A 19 -27.849 6.362 -7.737 1.00 3.62 H new ATOM 318 N SER A 20 -24.430 4.688 -4.973 1.00 2.92 N ATOM 319 CA SER A 20 -23.332 4.524 -4.017 1.00 3.46 C ATOM 320 C SER A 20 -22.100 4.044 -4.785 1.00 3.36 C ATOM 321 O SER A 20 -22.059 2.899 -5.242 1.00 3.74 O ATOM 322 CB SER A 20 -23.709 3.513 -2.924 1.00 4.13 C ATOM 323 OG SER A 20 -24.933 3.878 -2.296 1.00 4.31 O ATOM 0 H SER A 20 -24.453 3.968 -5.695 1.00 2.92 H new ATOM 0 HA SER A 20 -23.123 5.475 -3.527 1.00 3.46 H new ATOM 0 HB2 SER A 20 -23.801 2.518 -3.359 1.00 4.13 H new ATOM 0 HB3 SER A 20 -22.914 3.463 -2.180 1.00 4.13 H new ATOM 0 HG SER A 20 -25.155 3.220 -1.605 1.00 4.31 H new ATOM 329 N ARG A 21 -21.121 4.940 -4.959 1.00 3.28 N ATOM 330 CA ARG A 21 -19.885 4.653 -5.713 1.00 3.37 C ATOM 331 C ARG A 21 -20.215 4.521 -7.205 1.00 2.30 C ATOM 332 O ARG A 21 -19.825 3.557 -7.870 1.00 2.78 O ATOM 333 CB ARG A 21 -19.181 3.384 -5.195 1.00 4.44 C ATOM 334 CG ARG A 21 -18.906 3.457 -3.687 1.00 5.18 C ATOM 335 CD ARG A 21 -18.181 2.203 -3.180 1.00 5.89 C ATOM 336 NE ARG A 21 -18.938 0.988 -3.509 1.00 6.25 N ATOM 337 CZ ARG A 21 -20.033 0.635 -2.844 1.00 6.92 C ATOM 338 NH1 ARG A 21 -19.931 0.114 -1.634 1.00 7.30 N ATOM 339 NH2 ARG A 21 -21.229 0.821 -3.378 1.00 7.43 N ATOM 0 H ARG A 21 -21.159 5.887 -4.582 1.00 3.28 H new ATOM 0 HA ARG A 21 -19.194 5.483 -5.567 1.00 3.37 H new ATOM 0 HB2 ARG A 21 -19.800 2.513 -5.409 1.00 4.44 H new ATOM 0 HB3 ARG A 21 -18.241 3.247 -5.729 1.00 4.44 H new ATOM 0 HG2 ARG A 21 -18.303 4.339 -3.469 1.00 5.18 H new ATOM 0 HG3 ARG A 21 -19.848 3.575 -3.151 1.00 5.18 H new ATOM 0 HD2 ARG A 21 -17.187 2.148 -3.625 1.00 5.89 H new ATOM 0 HD3 ARG A 21 -18.044 2.269 -2.101 1.00 5.89 H new ATOM 0 HE ARG A 21 -18.612 0.396 -4.273 1.00 6.25 H new ATOM 0 HH11 ARG A 21 -19.012 -0.017 -1.211 1.00 7.30 H new ATOM 0 HH12 ARG A 21 -20.771 -0.157 -1.123 1.00 7.30 H new ATOM 0 HH21 ARG A 21 -21.314 1.237 -4.305 1.00 7.43 H new ATOM 0 HH22 ARG A 21 -22.066 0.548 -2.863 1.00 7.43 H new ATOM 353 N SER A 22 -20.956 5.508 -7.710 1.00 1.32 N ATOM 354 CA SER A 22 -21.390 5.556 -9.107 1.00 0.74 C ATOM 355 C SER A 22 -20.214 5.870 -10.042 1.00 0.68 C ATOM 356 O SER A 22 -19.623 6.949 -9.975 1.00 1.69 O ATOM 357 CB SER A 22 -22.496 6.613 -9.271 1.00 1.62 C ATOM 358 OG SER A 22 -23.426 6.550 -8.189 1.00 1.86 O ATOM 0 H SER A 22 -21.275 6.303 -7.156 1.00 1.32 H new ATOM 0 HA SER A 22 -21.782 4.576 -9.379 1.00 0.74 H new ATOM 0 HB2 SER A 22 -22.051 7.607 -9.316 1.00 1.62 H new ATOM 0 HB3 SER A 22 -23.018 6.455 -10.214 1.00 1.62 H new ATOM 0 HG SER A 22 -24.119 7.232 -8.313 1.00 1.86 H new ATOM 364 N TRP A 23 -19.890 4.903 -10.904 1.00 0.69 N ATOM 365 CA TRP A 23 -18.795 5.004 -11.882 1.00 0.41 C ATOM 366 C TRP A 23 -17.441 5.128 -11.180 1.00 0.40 C ATOM 367 O TRP A 23 -16.767 6.161 -11.247 1.00 0.55 O ATOM 368 CB TRP A 23 -19.051 6.145 -12.898 1.00 0.43 C ATOM 369 CG TRP A 23 -20.078 5.747 -13.924 1.00 0.40 C ATOM 370 CD1 TRP A 23 -21.252 6.385 -14.223 1.00 0.45 C ATOM 371 CD2 TRP A 23 -20.022 4.583 -14.769 1.00 0.34 C ATOM 372 NE1 TRP A 23 -21.907 5.666 -15.187 1.00 0.42 N ATOM 373 CE2 TRP A 23 -21.184 4.569 -15.546 1.00 0.36 C ATOM 374 CE3 TRP A 23 -19.093 3.556 -14.937 1.00 0.30 C ATOM 375 CZ2 TRP A 23 -21.440 3.559 -16.463 1.00 0.35 C ATOM 376 CZ3 TRP A 23 -19.337 2.549 -15.848 1.00 0.29 C ATOM 377 CH2 TRP A 23 -20.500 2.548 -16.610 1.00 0.31 C ATOM 0 H TRP A 23 -20.386 4.013 -10.946 1.00 0.69 H new ATOM 0 HA TRP A 23 -18.765 4.080 -12.459 1.00 0.41 H new ATOM 0 HB2 TRP A 23 -19.389 7.036 -12.369 1.00 0.43 H new ATOM 0 HB3 TRP A 23 -18.118 6.406 -13.397 1.00 0.43 H new ATOM 0 HD1 TRP A 23 -21.603 7.302 -13.774 1.00 0.45 H new ATOM 0 HE1 TRP A 23 -22.813 5.918 -15.582 1.00 0.42 H new ATOM 0 HE3 TRP A 23 -18.184 3.549 -14.354 1.00 0.30 H new ATOM 0 HZ2 TRP A 23 -22.348 3.560 -17.048 1.00 0.35 H new ATOM 0 HZ3 TRP A 23 -18.617 1.753 -15.971 1.00 0.29 H new ATOM 0 HH2 TRP A 23 -20.673 1.755 -17.322 1.00 0.31 H new ATOM 388 N HIS A 24 -17.062 4.033 -10.523 1.00 0.37 N ATOM 389 CA HIS A 24 -15.800 3.917 -9.790 1.00 0.45 C ATOM 390 C HIS A 24 -14.901 2.913 -10.522 1.00 0.36 C ATOM 391 O HIS A 24 -15.378 1.868 -10.978 1.00 0.34 O ATOM 392 CB HIS A 24 -16.098 3.443 -8.350 1.00 0.61 C ATOM 393 CG HIS A 24 -14.888 3.377 -7.453 1.00 1.18 C ATOM 394 ND1 HIS A 24 -14.616 4.304 -6.480 1.00 2.08 N ATOM 395 CD2 HIS A 24 -13.875 2.475 -7.365 1.00 1.66 C ATOM 396 CE1 HIS A 24 -13.516 4.002 -5.834 1.00 2.98 C ATOM 397 NE2 HIS A 24 -13.030 2.885 -6.349 1.00 2.74 N ATOM 0 H HIS A 24 -17.631 3.188 -10.484 1.00 0.37 H new ATOM 0 HA HIS A 24 -15.289 4.879 -9.740 1.00 0.45 H new ATOM 0 HB2 HIS A 24 -16.830 4.116 -7.903 1.00 0.61 H new ATOM 0 HB3 HIS A 24 -16.557 2.455 -8.393 1.00 0.61 H new ATOM 0 HD2 HIS A 24 -13.752 1.595 -7.979 1.00 1.66 H new ATOM 0 HE1 HIS A 24 -13.082 4.567 -5.022 1.00 2.98 H new ATOM 0 HE2 HIS A 24 -12.180 2.408 -6.049 1.00 2.74 H new ATOM 405 N ASN A 25 -13.608 3.218 -10.624 1.00 0.37 N ATOM 406 CA ASN A 25 -12.647 2.331 -11.295 1.00 0.35 C ATOM 407 C ASN A 25 -12.176 1.270 -10.297 1.00 0.34 C ATOM 408 O ASN A 25 -11.229 1.487 -9.537 1.00 0.55 O ATOM 409 CB ASN A 25 -11.461 3.149 -11.847 1.00 0.44 C ATOM 410 CG ASN A 25 -10.721 2.385 -12.952 1.00 0.99 C ATOM 411 OD1 ASN A 25 -9.651 1.821 -12.725 1.00 1.71 O ATOM 412 ND2 ASN A 25 -11.286 2.376 -14.153 1.00 1.49 N ATOM 0 H ASN A 25 -13.197 4.074 -10.251 1.00 0.37 H new ATOM 0 HA ASN A 25 -13.123 1.835 -12.141 1.00 0.35 H new ATOM 0 HB2 ASN A 25 -11.824 4.099 -12.239 1.00 0.44 H new ATOM 0 HB3 ASN A 25 -10.769 3.382 -11.037 1.00 0.44 H new ATOM 0 HD21 ASN A 25 -10.832 1.890 -14.926 1.00 1.49 H new ATOM 0 HD22 ASN A 25 -12.174 2.855 -14.302 1.00 1.49 H new ATOM 419 N VAL A 26 -12.876 0.136 -10.291 1.00 0.22 N ATOM 420 CA VAL A 26 -12.585 -0.978 -9.381 1.00 0.21 C ATOM 421 C VAL A 26 -11.872 -2.114 -10.129 1.00 0.18 C ATOM 422 O VAL A 26 -11.939 -2.201 -11.358 1.00 0.23 O ATOM 423 CB VAL A 26 -13.904 -1.469 -8.746 1.00 0.25 C ATOM 424 CG1 VAL A 26 -14.731 -2.304 -9.735 1.00 0.31 C ATOM 425 CG2 VAL A 26 -13.642 -2.257 -7.457 1.00 0.31 C ATOM 0 H VAL A 26 -13.662 -0.039 -10.917 1.00 0.22 H new ATOM 0 HA VAL A 26 -11.916 -0.639 -8.590 1.00 0.21 H new ATOM 0 HB VAL A 26 -14.486 -0.584 -8.489 1.00 0.25 H new ATOM 0 HG11 VAL A 26 -15.652 -2.632 -9.253 1.00 0.31 H new ATOM 0 HG12 VAL A 26 -14.974 -1.698 -10.608 1.00 0.31 H new ATOM 0 HG13 VAL A 26 -14.154 -3.175 -10.047 1.00 0.31 H new ATOM 0 HG21 VAL A 26 -14.590 -2.589 -7.034 1.00 0.31 H new ATOM 0 HG22 VAL A 26 -13.021 -3.124 -7.681 1.00 0.31 H new ATOM 0 HG23 VAL A 26 -13.128 -1.619 -6.738 1.00 0.31 H new ATOM 435 N TYR A 27 -11.189 -2.975 -9.379 1.00 0.16 N ATOM 436 CA TYR A 27 -10.452 -4.108 -9.948 1.00 0.16 C ATOM 437 C TYR A 27 -11.285 -5.387 -9.812 1.00 0.19 C ATOM 438 O TYR A 27 -11.538 -5.858 -8.702 1.00 0.34 O ATOM 439 CB TYR A 27 -9.104 -4.249 -9.223 1.00 0.17 C ATOM 440 CG TYR A 27 -8.031 -4.919 -10.055 1.00 0.18 C ATOM 441 CD1 TYR A 27 -7.951 -6.301 -10.100 1.00 0.26 C ATOM 442 CD2 TYR A 27 -7.138 -4.156 -10.783 1.00 0.28 C ATOM 443 CE1 TYR A 27 -6.980 -6.918 -10.866 1.00 0.30 C ATOM 444 CE2 TYR A 27 -6.166 -4.773 -11.554 1.00 0.33 C ATOM 445 CZ TYR A 27 -6.049 -6.132 -11.555 1.00 0.29 C ATOM 446 OH TYR A 27 -5.131 -6.772 -12.364 1.00 0.37 O ATOM 0 H TYR A 27 -11.129 -2.910 -8.363 1.00 0.16 H new ATOM 0 HA TYR A 27 -10.263 -3.936 -11.008 1.00 0.16 H new ATOM 0 HB2 TYR A 27 -8.756 -3.259 -8.926 1.00 0.17 H new ATOM 0 HB3 TYR A 27 -9.252 -4.822 -8.308 1.00 0.17 H new ATOM 0 HD1 TYR A 27 -8.650 -6.899 -9.534 1.00 0.26 H new ATOM 0 HD2 TYR A 27 -7.198 -3.078 -10.751 1.00 0.28 H new ATOM 0 HE1 TYR A 27 -6.940 -7.995 -10.932 1.00 0.30 H new ATOM 0 HE2 TYR A 27 -5.498 -4.175 -12.157 1.00 0.33 H new ATOM 0 HH TYR A 27 -4.545 -6.108 -12.783 1.00 0.37 H new ATOM 456 N CYS A 28 -11.714 -5.938 -10.947 1.00 0.16 N ATOM 457 CA CYS A 28 -12.529 -7.158 -10.967 1.00 0.19 C ATOM 458 C CYS A 28 -11.687 -8.353 -11.421 1.00 0.19 C ATOM 459 O CYS A 28 -10.925 -8.255 -12.383 1.00 0.23 O ATOM 460 CB CYS A 28 -13.726 -6.971 -11.910 1.00 0.23 C ATOM 461 SG CYS A 28 -14.658 -5.467 -11.562 1.00 0.34 S ATOM 0 H CYS A 28 -11.510 -5.558 -11.871 1.00 0.16 H new ATOM 0 HA CYS A 28 -12.895 -7.352 -9.959 1.00 0.19 H new ATOM 0 HB2 CYS A 28 -13.371 -6.943 -12.940 1.00 0.23 H new ATOM 0 HB3 CYS A 28 -14.389 -7.832 -11.824 1.00 0.23 H new ATOM 0 HG CYS A 28 -15.455 -5.674 -10.556 1.00 0.34 H new ATOM 467 N VAL A 29 -11.827 -9.480 -10.719 1.00 0.21 N ATOM 468 CA VAL A 29 -11.087 -10.710 -11.039 1.00 0.24 C ATOM 469 C VAL A 29 -12.034 -11.909 -11.026 1.00 0.26 C ATOM 470 O VAL A 29 -12.629 -12.221 -9.991 1.00 0.38 O ATOM 471 CB VAL A 29 -9.963 -10.941 -10.014 1.00 0.29 C ATOM 472 CG1 VAL A 29 -9.157 -12.203 -10.352 1.00 0.37 C ATOM 473 CG2 VAL A 29 -9.042 -9.727 -9.930 1.00 0.33 C ATOM 0 H VAL A 29 -12.451 -9.569 -9.917 1.00 0.21 H new ATOM 0 HA VAL A 29 -10.650 -10.600 -12.032 1.00 0.24 H new ATOM 0 HB VAL A 29 -10.430 -11.086 -9.040 1.00 0.29 H new ATOM 0 HG11 VAL A 29 -8.370 -12.341 -9.611 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -9.818 -13.070 -10.345 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -8.710 -12.095 -11.340 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -8.256 -9.916 -9.199 1.00 0.33 H new ATOM 0 HG22 VAL A 29 -8.593 -9.543 -10.906 1.00 0.33 H new ATOM 0 HG23 VAL A 29 -9.618 -8.853 -9.626 1.00 0.33 H new ATOM 483 N ILE A 30 -12.142 -12.598 -12.164 1.00 0.28 N ATOM 484 CA ILE A 30 -12.986 -13.794 -12.278 1.00 0.32 C ATOM 485 C ILE A 30 -12.146 -15.017 -11.906 1.00 0.35 C ATOM 486 O ILE A 30 -11.021 -15.172 -12.386 1.00 0.44 O ATOM 487 CB ILE A 30 -13.548 -13.953 -13.703 1.00 0.40 C ATOM 488 CG1 ILE A 30 -13.939 -12.597 -14.301 1.00 0.47 C ATOM 489 CG2 ILE A 30 -14.762 -14.886 -13.697 1.00 0.50 C ATOM 490 CD1 ILE A 30 -14.609 -12.767 -15.664 1.00 0.57 C ATOM 0 H ILE A 30 -11.654 -12.348 -13.024 1.00 0.28 H new ATOM 0 HA ILE A 30 -13.835 -13.695 -11.602 1.00 0.32 H new ATOM 0 HB ILE A 30 -12.763 -14.388 -14.322 1.00 0.40 H new ATOM 0 HG12 ILE A 30 -14.616 -12.079 -13.622 1.00 0.47 H new ATOM 0 HG13 ILE A 30 -13.052 -11.973 -14.404 1.00 0.47 H new ATOM 0 HG21 ILE A 30 -15.148 -14.988 -14.711 1.00 0.50 H new ATOM 0 HG22 ILE A 30 -14.466 -15.865 -13.321 1.00 0.50 H new ATOM 0 HG23 ILE A 30 -15.538 -14.470 -13.054 1.00 0.50 H new ATOM 0 HD11 ILE A 30 -14.875 -11.788 -16.063 1.00 0.57 H new ATOM 0 HD12 ILE A 30 -13.921 -13.263 -16.348 1.00 0.57 H new ATOM 0 HD13 ILE A 30 -15.510 -13.371 -15.554 1.00 0.57 H new ATOM 502 N ASN A 31 -12.691 -15.869 -11.045 1.00 0.46 N ATOM 503 CA ASN A 31 -12.001 -17.079 -10.590 1.00 0.58 C ATOM 504 C ASN A 31 -12.890 -18.305 -10.803 1.00 0.71 C ATOM 505 O ASN A 31 -13.083 -19.107 -9.892 1.00 1.20 O ATOM 506 CB ASN A 31 -11.612 -16.927 -9.105 1.00 0.73 C ATOM 507 CG ASN A 31 -10.519 -17.929 -8.712 1.00 0.93 C ATOM 508 OD1 ASN A 31 -9.353 -17.763 -9.070 1.00 1.27 O ATOM 509 ND2 ASN A 31 -10.893 -18.962 -7.970 1.00 1.47 N ATOM 0 H ASN A 31 -13.620 -15.745 -10.642 1.00 0.46 H new ATOM 0 HA ASN A 31 -11.091 -17.218 -11.173 1.00 0.58 H new ATOM 0 HB2 ASN A 31 -11.261 -15.912 -8.920 1.00 0.73 H new ATOM 0 HB3 ASN A 31 -12.491 -17.080 -8.479 1.00 0.73 H new ATOM 0 HD21 ASN A 31 -10.204 -19.654 -7.675 1.00 1.47 H new ATOM 0 HD22 ASN A 31 -11.869 -19.064 -7.694 1.00 1.47 H new ATOM 516 N ASN A 32 -13.412 -18.456 -12.023 1.00 0.85 N ATOM 517 CA ASN A 32 -14.260 -19.604 -12.389 1.00 1.00 C ATOM 518 C ASN A 32 -15.650 -19.543 -11.726 1.00 1.00 C ATOM 519 O ASN A 32 -15.826 -19.984 -10.591 1.00 1.97 O ATOM 520 CB ASN A 32 -13.541 -20.924 -12.015 1.00 1.24 C ATOM 521 CG ASN A 32 -14.009 -22.089 -12.891 1.00 1.73 C ATOM 522 OD1 ASN A 32 -15.167 -22.143 -13.303 1.00 2.06 O ATOM 523 ND2 ASN A 32 -13.111 -23.025 -13.168 1.00 2.52 N ATOM 0 H ASN A 32 -13.263 -17.793 -12.784 1.00 0.85 H new ATOM 0 HA ASN A 32 -14.421 -19.565 -13.466 1.00 1.00 H new ATOM 0 HB2 ASN A 32 -12.464 -20.796 -12.124 1.00 1.24 H new ATOM 0 HB3 ASN A 32 -13.730 -21.157 -10.967 1.00 1.24 H new ATOM 0 HD21 ASN A 32 -13.371 -23.827 -13.742 1.00 2.52 H new ATOM 0 HD22 ASN A 32 -12.161 -22.943 -12.807 1.00 2.52 H new ATOM 530 N GLN A 33 -16.634 -19.012 -12.465 1.00 0.75 N ATOM 531 CA GLN A 33 -18.040 -18.899 -12.015 1.00 0.67 C ATOM 532 C GLN A 33 -18.235 -17.886 -10.872 1.00 0.56 C ATOM 533 O GLN A 33 -19.387 -17.519 -10.571 1.00 0.71 O ATOM 534 CB GLN A 33 -18.599 -20.274 -11.603 1.00 0.83 C ATOM 535 CG GLN A 33 -18.419 -21.332 -12.710 1.00 1.46 C ATOM 536 CD GLN A 33 -19.624 -21.345 -13.648 1.00 1.85 C ATOM 537 OE1 GLN A 33 -19.953 -20.332 -14.261 1.00 2.11 O ATOM 538 NE2 GLN A 33 -20.287 -22.487 -13.755 1.00 2.67 N ATOM 0 H GLN A 33 -16.481 -18.643 -13.403 1.00 0.75 H new ATOM 0 HA GLN A 33 -18.598 -18.522 -12.872 1.00 0.67 H new ATOM 0 HB2 GLN A 33 -18.097 -20.611 -10.696 1.00 0.83 H new ATOM 0 HB3 GLN A 33 -19.658 -20.177 -11.364 1.00 0.83 H new ATOM 0 HG2 GLN A 33 -17.513 -21.121 -13.278 1.00 1.46 H new ATOM 0 HG3 GLN A 33 -18.291 -22.317 -12.261 1.00 1.46 H new ATOM 0 HE21 GLN A 33 -19.981 -23.306 -13.229 1.00 2.67 H new ATOM 0 HE22 GLN A 33 -21.103 -22.548 -14.364 1.00 2.67 H new ATOM 547 N GLU A 34 -17.128 -17.443 -10.245 1.00 0.53 N ATOM 548 CA GLU A 34 -17.172 -16.478 -9.145 1.00 0.49 C ATOM 549 C GLU A 34 -16.215 -15.325 -9.441 1.00 0.45 C ATOM 550 O GLU A 34 -15.111 -15.545 -9.938 1.00 0.64 O ATOM 551 CB GLU A 34 -16.792 -17.164 -7.826 1.00 0.61 C ATOM 552 CG GLU A 34 -17.481 -16.494 -6.634 1.00 1.25 C ATOM 553 CD GLU A 34 -16.922 -17.025 -5.322 1.00 1.42 C ATOM 554 OE1 GLU A 34 -15.744 -16.748 -5.019 1.00 1.89 O ATOM 555 OE2 GLU A 34 -17.660 -17.719 -4.591 1.00 1.79 O ATOM 0 H GLU A 34 -16.185 -17.746 -10.490 1.00 0.53 H new ATOM 0 HA GLU A 34 -18.184 -16.085 -9.049 1.00 0.49 H new ATOM 0 HB2 GLU A 34 -17.072 -18.217 -7.867 1.00 0.61 H new ATOM 0 HB3 GLU A 34 -15.711 -17.127 -7.692 1.00 0.61 H new ATOM 0 HG2 GLU A 34 -17.339 -15.414 -6.685 1.00 1.25 H new ATOM 0 HG3 GLU A 34 -18.555 -16.677 -6.678 1.00 1.25 H new ATOM 562 N MET A 35 -16.635 -14.104 -9.121 1.00 0.36 N ATOM 563 CA MET A 35 -15.816 -12.911 -9.341 1.00 0.35 C ATOM 564 C MET A 35 -15.603 -12.182 -8.018 1.00 0.32 C ATOM 565 O MET A 35 -16.453 -12.235 -7.122 1.00 0.42 O ATOM 566 CB MET A 35 -16.473 -11.986 -10.378 1.00 0.41 C ATOM 567 CG MET A 35 -17.854 -11.502 -9.932 1.00 0.43 C ATOM 568 SD MET A 35 -18.852 -10.889 -11.304 1.00 0.60 S ATOM 569 CE MET A 35 -18.193 -9.228 -11.517 1.00 1.25 C ATOM 0 H MET A 35 -17.546 -13.912 -8.705 1.00 0.36 H new ATOM 0 HA MET A 35 -14.845 -13.214 -9.734 1.00 0.35 H new ATOM 0 HB2 MET A 35 -15.828 -11.125 -10.554 1.00 0.41 H new ATOM 0 HB3 MET A 35 -16.565 -12.515 -11.327 1.00 0.41 H new ATOM 0 HG2 MET A 35 -18.381 -12.321 -9.442 1.00 0.43 H new ATOM 0 HG3 MET A 35 -17.736 -10.711 -9.192 1.00 0.43 H new ATOM 0 HE1 MET A 35 -19.000 -8.501 -11.422 1.00 1.25 H new ATOM 0 HE2 MET A 35 -17.439 -9.035 -10.754 1.00 1.25 H new ATOM 0 HE3 MET A 35 -17.740 -9.140 -12.504 1.00 1.25 H new ATOM 579 N GLY A 36 -14.460 -11.518 -7.898 1.00 0.27 N ATOM 580 CA GLY A 36 -14.103 -10.781 -6.685 1.00 0.29 C ATOM 581 C GLY A 36 -13.827 -9.316 -7.006 1.00 0.25 C ATOM 582 O GLY A 36 -13.129 -9.007 -7.979 1.00 0.28 O ATOM 0 H GLY A 36 -13.755 -11.473 -8.634 1.00 0.27 H new ATOM 0 HA2 GLY A 36 -14.912 -10.853 -5.958 1.00 0.29 H new ATOM 0 HA3 GLY A 36 -13.222 -11.230 -6.227 1.00 0.29 H new ATOM 586 N PHE A 37 -14.375 -8.422 -6.181 1.00 0.24 N ATOM 587 CA PHE A 37 -14.193 -6.975 -6.345 1.00 0.25 C ATOM 588 C PHE A 37 -13.081 -6.497 -5.409 1.00 0.25 C ATOM 589 O PHE A 37 -13.263 -6.439 -4.192 1.00 0.40 O ATOM 590 CB PHE A 37 -15.507 -6.239 -6.040 1.00 0.30 C ATOM 591 CG PHE A 37 -16.584 -6.510 -7.068 1.00 0.28 C ATOM 592 CD1 PHE A 37 -16.475 -5.997 -8.352 1.00 0.39 C ATOM 593 CD2 PHE A 37 -17.688 -7.277 -6.724 1.00 0.43 C ATOM 594 CE1 PHE A 37 -17.466 -6.249 -9.287 1.00 0.41 C ATOM 595 CE2 PHE A 37 -18.677 -7.525 -7.659 1.00 0.45 C ATOM 596 CZ PHE A 37 -18.548 -7.004 -8.961 1.00 0.33 C ATOM 0 H PHE A 37 -14.956 -8.677 -5.382 1.00 0.24 H new ATOM 0 HA PHE A 37 -13.911 -6.758 -7.375 1.00 0.25 H new ATOM 0 HB2 PHE A 37 -15.867 -6.540 -5.056 1.00 0.30 H new ATOM 0 HB3 PHE A 37 -15.316 -5.167 -5.995 1.00 0.30 H new ATOM 0 HD1 PHE A 37 -15.617 -5.400 -8.623 1.00 0.39 H new ATOM 0 HD2 PHE A 37 -17.775 -7.680 -5.726 1.00 0.43 H new ATOM 0 HE1 PHE A 37 -17.378 -5.842 -10.283 1.00 0.41 H new ATOM 0 HE2 PHE A 37 -19.542 -8.114 -7.392 1.00 0.45 H new ATOM 0 HZ PHE A 37 -19.309 -7.204 -9.701 1.00 0.33 H new ATOM 606 N TYR A 38 -11.926 -6.173 -5.987 1.00 0.20 N ATOM 607 CA TYR A 38 -10.759 -5.715 -5.226 1.00 0.21 C ATOM 608 C TYR A 38 -10.429 -4.258 -5.562 1.00 0.21 C ATOM 609 O TYR A 38 -11.014 -3.662 -6.472 1.00 0.23 O ATOM 610 CB TYR A 38 -9.554 -6.619 -5.536 1.00 0.23 C ATOM 611 CG TYR A 38 -9.831 -8.084 -5.265 1.00 0.27 C ATOM 612 CD1 TYR A 38 -9.638 -8.596 -3.995 1.00 0.42 C ATOM 613 CD2 TYR A 38 -10.285 -8.914 -6.279 1.00 0.27 C ATOM 614 CE1 TYR A 38 -9.895 -9.931 -3.736 1.00 0.50 C ATOM 615 CE2 TYR A 38 -10.541 -10.250 -6.019 1.00 0.35 C ATOM 616 CZ TYR A 38 -10.346 -10.753 -4.748 1.00 0.44 C ATOM 617 OH TYR A 38 -10.600 -12.082 -4.490 1.00 0.55 O ATOM 0 H TYR A 38 -11.770 -6.219 -6.994 1.00 0.20 H new ATOM 0 HA TYR A 38 -10.989 -5.773 -4.162 1.00 0.21 H new ATOM 0 HB2 TYR A 38 -9.273 -6.495 -6.582 1.00 0.23 H new ATOM 0 HB3 TYR A 38 -8.702 -6.299 -4.936 1.00 0.23 H new ATOM 0 HD1 TYR A 38 -9.286 -7.952 -3.203 1.00 0.42 H new ATOM 0 HD2 TYR A 38 -10.439 -8.518 -7.272 1.00 0.27 H new ATOM 0 HE1 TYR A 38 -9.743 -10.329 -2.743 1.00 0.50 H new ATOM 0 HE2 TYR A 38 -10.893 -10.897 -6.809 1.00 0.35 H new ATOM 0 HH TYR A 38 -10.912 -12.520 -5.309 1.00 0.55 H new ATOM 627 N LYS A 39 -9.484 -3.693 -4.815 1.00 0.25 N ATOM 628 CA LYS A 39 -9.054 -2.306 -5.008 1.00 0.29 C ATOM 629 C LYS A 39 -8.161 -2.185 -6.248 1.00 0.28 C ATOM 630 O LYS A 39 -8.426 -1.374 -7.139 1.00 0.33 O ATOM 631 CB LYS A 39 -8.302 -1.822 -3.759 1.00 0.36 C ATOM 632 CG LYS A 39 -8.572 -0.346 -3.463 1.00 0.70 C ATOM 633 CD LYS A 39 -7.878 0.576 -4.466 1.00 1.15 C ATOM 634 CE LYS A 39 -7.359 1.850 -3.792 1.00 1.82 C ATOM 635 NZ LYS A 39 -8.455 2.608 -3.120 1.00 2.51 N ATOM 0 H LYS A 39 -8.996 -4.178 -4.062 1.00 0.25 H new ATOM 0 HA LYS A 39 -9.934 -1.681 -5.162 1.00 0.29 H new ATOM 0 HB2 LYS A 39 -8.600 -2.424 -2.901 1.00 0.36 H new ATOM 0 HB3 LYS A 39 -7.232 -1.974 -3.899 1.00 0.36 H new ATOM 0 HG2 LYS A 39 -9.646 -0.163 -3.485 1.00 0.70 H new ATOM 0 HG3 LYS A 39 -8.229 -0.110 -2.456 1.00 0.70 H new ATOM 0 HD2 LYS A 39 -7.048 0.047 -4.934 1.00 1.15 H new ATOM 0 HD3 LYS A 39 -8.575 0.842 -5.260 1.00 1.15 H new ATOM 0 HE2 LYS A 39 -6.596 1.588 -3.059 1.00 1.82 H new ATOM 0 HE3 LYS A 39 -6.881 2.486 -4.537 1.00 1.82 H new ATOM 0 HZ1 LYS A 39 -8.092 3.527 -2.794 1.00 2.51 H new ATOM 0 HZ2 LYS A 39 -9.233 2.762 -3.792 1.00 2.51 H new ATOM 0 HZ3 LYS A 39 -8.804 2.064 -2.305 1.00 2.51 H new ATOM 649 N ASP A 40 -7.100 -2.993 -6.290 1.00 0.28 N ATOM 650 CA ASP A 40 -6.141 -2.991 -7.406 1.00 0.32 C ATOM 651 C ASP A 40 -5.547 -4.394 -7.615 1.00 0.33 C ATOM 652 O ASP A 40 -6.021 -5.378 -7.033 1.00 0.32 O ATOM 653 CB ASP A 40 -5.026 -1.951 -7.140 1.00 0.38 C ATOM 654 CG ASP A 40 -4.012 -2.430 -6.093 1.00 0.57 C ATOM 655 OD1 ASP A 40 -4.406 -3.181 -5.179 1.00 0.84 O ATOM 656 OD2 ASP A 40 -2.821 -2.063 -6.186 1.00 0.94 O ATOM 0 H ASP A 40 -6.878 -3.666 -5.556 1.00 0.28 H new ATOM 0 HA ASP A 40 -6.665 -2.713 -8.321 1.00 0.32 H new ATOM 0 HB2 ASP A 40 -4.505 -1.735 -8.073 1.00 0.38 H new ATOM 0 HB3 ASP A 40 -5.477 -1.018 -6.803 1.00 0.38 H new ATOM 661 N ALA A 41 -4.496 -4.468 -8.443 1.00 0.40 N ATOM 662 CA ALA A 41 -3.802 -5.730 -8.749 1.00 0.45 C ATOM 663 C ALA A 41 -3.203 -6.363 -7.486 1.00 0.45 C ATOM 664 O ALA A 41 -3.290 -7.580 -7.299 1.00 0.47 O ATOM 665 CB ALA A 41 -2.690 -5.478 -9.771 1.00 0.55 C ATOM 0 H ALA A 41 -4.102 -3.657 -8.920 1.00 0.40 H new ATOM 0 HA ALA A 41 -4.535 -6.422 -9.162 1.00 0.45 H new ATOM 0 HB1 ALA A 41 -2.181 -6.416 -9.993 1.00 0.55 H new ATOM 0 HB2 ALA A 41 -3.122 -5.074 -10.687 1.00 0.55 H new ATOM 0 HB3 ALA A 41 -1.975 -4.764 -9.362 1.00 0.55 H new ATOM 671 N LYS A 42 -2.606 -5.537 -6.619 1.00 0.46 N ATOM 672 CA LYS A 42 -2.000 -6.023 -5.368 1.00 0.48 C ATOM 673 C LYS A 42 -3.082 -6.552 -4.425 1.00 0.43 C ATOM 674 O LYS A 42 -2.925 -7.616 -3.822 1.00 0.47 O ATOM 675 CB LYS A 42 -1.202 -4.902 -4.689 1.00 0.54 C ATOM 676 CG LYS A 42 -0.236 -4.246 -5.671 1.00 0.77 C ATOM 677 CD LYS A 42 0.929 -3.557 -4.949 1.00 1.12 C ATOM 678 CE LYS A 42 1.976 -3.038 -5.946 1.00 1.96 C ATOM 679 NZ LYS A 42 1.334 -2.404 -7.131 1.00 2.76 N ATOM 0 H LYS A 42 -2.528 -4.530 -6.758 1.00 0.46 H new ATOM 0 HA LYS A 42 -1.317 -6.838 -5.607 1.00 0.48 H new ATOM 0 HB2 LYS A 42 -1.887 -4.153 -4.292 1.00 0.54 H new ATOM 0 HB3 LYS A 42 -0.647 -5.307 -3.843 1.00 0.54 H new ATOM 0 HG2 LYS A 42 0.155 -5.000 -6.355 1.00 0.77 H new ATOM 0 HG3 LYS A 42 -0.773 -3.515 -6.275 1.00 0.77 H new ATOM 0 HD2 LYS A 42 0.550 -2.728 -4.352 1.00 1.12 H new ATOM 0 HD3 LYS A 42 1.398 -4.259 -4.259 1.00 1.12 H new ATOM 0 HE2 LYS A 42 2.624 -2.314 -5.451 1.00 1.96 H new ATOM 0 HE3 LYS A 42 2.610 -3.863 -6.272 1.00 1.96 H new ATOM 0 HZ1 LYS A 42 1.989 -1.716 -7.555 1.00 2.76 H new ATOM 0 HZ2 LYS A 42 1.099 -3.136 -7.832 1.00 2.76 H new ATOM 0 HZ3 LYS A 42 0.464 -1.916 -6.835 1.00 2.76 H new ATOM 693 N SER A 43 -4.191 -5.815 -4.318 1.00 0.38 N ATOM 694 CA SER A 43 -5.319 -6.213 -3.466 1.00 0.38 C ATOM 695 C SER A 43 -5.910 -7.548 -3.942 1.00 0.39 C ATOM 696 O SER A 43 -6.296 -8.387 -3.129 1.00 0.45 O ATOM 697 CB SER A 43 -6.400 -5.129 -3.482 1.00 0.37 C ATOM 698 OG SER A 43 -5.854 -3.869 -3.111 1.00 1.04 O ATOM 0 H SER A 43 -4.334 -4.935 -4.813 1.00 0.38 H new ATOM 0 HA SER A 43 -4.954 -6.337 -2.447 1.00 0.38 H new ATOM 0 HB2 SER A 43 -6.840 -5.062 -4.477 1.00 0.37 H new ATOM 0 HB3 SER A 43 -7.203 -5.399 -2.796 1.00 0.37 H new ATOM 0 HG SER A 43 -5.408 -3.465 -3.884 1.00 1.04 H new ATOM 704 N ALA A 44 -5.954 -7.737 -5.264 1.00 0.37 N ATOM 705 CA ALA A 44 -6.476 -8.969 -5.871 1.00 0.43 C ATOM 706 C ALA A 44 -5.509 -10.136 -5.650 1.00 0.51 C ATOM 707 O ALA A 44 -5.925 -11.233 -5.285 1.00 0.59 O ATOM 708 CB ALA A 44 -6.706 -8.755 -7.372 1.00 0.43 C ATOM 0 H ALA A 44 -5.631 -7.046 -5.942 1.00 0.37 H new ATOM 0 HA ALA A 44 -7.425 -9.214 -5.393 1.00 0.43 H new ATOM 0 HB1 ALA A 44 -7.093 -9.673 -7.815 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -7.426 -7.950 -7.519 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -5.763 -8.491 -7.851 1.00 0.43 H new ATOM 714 N ALA A 45 -4.214 -9.889 -5.876 1.00 0.54 N ATOM 715 CA ALA A 45 -3.171 -10.914 -5.709 1.00 0.64 C ATOM 716 C ALA A 45 -3.033 -11.342 -4.241 1.00 0.68 C ATOM 717 O ALA A 45 -2.904 -12.529 -3.942 1.00 0.76 O ATOM 718 CB ALA A 45 -1.831 -10.375 -6.222 1.00 0.69 C ATOM 0 H ALA A 45 -3.859 -8.982 -6.177 1.00 0.54 H new ATOM 0 HA ALA A 45 -3.462 -11.791 -6.288 1.00 0.64 H new ATOM 0 HB1 ALA A 45 -1.061 -11.136 -6.097 1.00 0.69 H new ATOM 0 HB2 ALA A 45 -1.922 -10.120 -7.278 1.00 0.69 H new ATOM 0 HB3 ALA A 45 -1.556 -9.485 -5.656 1.00 0.69 H new ATOM 724 N SER A 46 -3.056 -10.364 -3.333 1.00 0.65 N ATOM 725 CA SER A 46 -2.931 -10.617 -1.892 1.00 0.73 C ATOM 726 C SER A 46 -4.249 -11.172 -1.319 1.00 0.74 C ATOM 727 O SER A 46 -4.240 -11.951 -0.365 1.00 0.84 O ATOM 728 CB SER A 46 -2.531 -9.314 -1.179 1.00 0.75 C ATOM 729 OG SER A 46 -1.709 -9.581 -0.051 1.00 1.21 O ATOM 0 H SER A 46 -3.161 -9.378 -3.572 1.00 0.65 H new ATOM 0 HA SER A 46 -2.157 -11.366 -1.726 1.00 0.73 H new ATOM 0 HB2 SER A 46 -2.000 -8.663 -1.874 1.00 0.75 H new ATOM 0 HB3 SER A 46 -3.426 -8.779 -0.862 1.00 0.75 H new ATOM 0 HG SER A 46 -1.467 -8.737 0.384 1.00 1.21 H new ATOM 735 N GLY A 47 -5.376 -10.769 -1.907 1.00 0.70 N ATOM 736 CA GLY A 47 -6.698 -11.225 -1.466 1.00 0.74 C ATOM 737 C GLY A 47 -7.235 -10.347 -0.337 1.00 0.75 C ATOM 738 O GLY A 47 -7.701 -10.848 0.688 1.00 0.88 O ATOM 0 H GLY A 47 -5.401 -10.123 -2.696 1.00 0.70 H new ATOM 0 HA2 GLY A 47 -7.392 -11.206 -2.307 1.00 0.74 H new ATOM 0 HA3 GLY A 47 -6.635 -12.259 -1.128 1.00 0.74 H new ATOM 742 N ILE A 48 -7.174 -9.029 -0.541 1.00 0.67 N ATOM 743 CA ILE A 48 -7.655 -8.049 0.440 1.00 0.72 C ATOM 744 C ILE A 48 -9.073 -7.614 0.055 1.00 0.75 C ATOM 745 O ILE A 48 -9.289 -7.104 -1.046 1.00 0.75 O ATOM 746 CB ILE A 48 -6.703 -6.839 0.472 1.00 0.71 C ATOM 747 CG1 ILE A 48 -5.338 -7.241 1.041 1.00 0.78 C ATOM 748 CG2 ILE A 48 -7.285 -5.686 1.296 1.00 0.82 C ATOM 749 CD1 ILE A 48 -4.276 -6.183 0.737 1.00 0.97 C ATOM 0 H ILE A 48 -6.791 -8.610 -1.388 1.00 0.67 H new ATOM 0 HA ILE A 48 -7.678 -8.494 1.435 1.00 0.72 H new ATOM 0 HB ILE A 48 -6.579 -6.497 -0.556 1.00 0.71 H new ATOM 0 HG12 ILE A 48 -5.418 -7.380 2.119 1.00 0.78 H new ATOM 0 HG13 ILE A 48 -5.033 -8.198 0.618 1.00 0.78 H new ATOM 0 HG21 ILE A 48 -6.586 -4.850 1.296 1.00 0.82 H new ATOM 0 HG22 ILE A 48 -8.231 -5.368 0.859 1.00 0.82 H new ATOM 0 HG23 ILE A 48 -7.452 -6.019 2.320 1.00 0.82 H new ATOM 0 HD11 ILE A 48 -3.319 -6.498 1.154 1.00 0.97 H new ATOM 0 HD12 ILE A 48 -4.180 -6.063 -0.342 1.00 0.97 H new ATOM 0 HD13 ILE A 48 -4.571 -5.233 1.182 1.00 0.97 H new ATOM 761 N PRO A 49 -10.061 -7.807 0.952 1.00 0.84 N ATOM 762 CA PRO A 49 -11.466 -7.432 0.684 1.00 0.93 C ATOM 763 C PRO A 49 -11.669 -5.910 0.617 1.00 0.93 C ATOM 764 O PRO A 49 -11.311 -5.182 1.548 1.00 1.08 O ATOM 765 CB PRO A 49 -12.238 -8.054 1.851 1.00 1.07 C ATOM 766 CG PRO A 49 -11.240 -8.197 2.953 1.00 1.06 C ATOM 767 CD PRO A 49 -9.899 -8.403 2.295 1.00 0.92 C ATOM 0 HA PRO A 49 -11.805 -7.789 -0.288 1.00 0.93 H new ATOM 0 HB2 PRO A 49 -13.071 -7.419 2.154 1.00 1.07 H new ATOM 0 HB3 PRO A 49 -12.659 -9.021 1.574 1.00 1.07 H new ATOM 0 HG2 PRO A 49 -11.230 -7.308 3.584 1.00 1.06 H new ATOM 0 HG3 PRO A 49 -11.490 -9.041 3.595 1.00 1.06 H new ATOM 0 HD2 PRO A 49 -9.101 -7.914 2.854 1.00 0.92 H new ATOM 0 HD3 PRO A 49 -9.643 -9.461 2.233 1.00 0.92 H new ATOM 775 N TYR A 50 -12.240 -5.442 -0.496 1.00 0.87 N ATOM 776 CA TYR A 50 -12.501 -4.012 -0.715 1.00 0.91 C ATOM 777 C TYR A 50 -13.594 -3.507 0.237 1.00 1.12 C ATOM 778 O TYR A 50 -13.389 -2.533 0.960 1.00 1.91 O ATOM 779 CB TYR A 50 -12.912 -3.790 -2.181 1.00 0.92 C ATOM 780 CG TYR A 50 -13.099 -2.334 -2.556 1.00 0.94 C ATOM 781 CD1 TYR A 50 -12.033 -1.451 -2.484 1.00 1.02 C ATOM 782 CD2 TYR A 50 -14.337 -1.883 -2.986 1.00 1.13 C ATOM 783 CE1 TYR A 50 -12.207 -0.123 -2.838 1.00 1.13 C ATOM 784 CE2 TYR A 50 -14.507 -0.555 -3.337 1.00 1.24 C ATOM 785 CZ TYR A 50 -13.442 0.317 -3.263 1.00 1.17 C ATOM 786 OH TYR A 50 -13.617 1.633 -3.614 1.00 1.34 O ATOM 0 H TYR A 50 -12.534 -6.039 -1.269 1.00 0.87 H new ATOM 0 HA TYR A 50 -11.593 -3.446 -0.507 1.00 0.91 H new ATOM 0 HB2 TYR A 50 -12.153 -4.227 -2.830 1.00 0.92 H new ATOM 0 HB3 TYR A 50 -13.842 -4.326 -2.372 1.00 0.92 H new ATOM 0 HD1 TYR A 50 -11.066 -1.799 -2.152 1.00 1.02 H new ATOM 0 HD2 TYR A 50 -15.170 -2.568 -3.047 1.00 1.13 H new ATOM 0 HE1 TYR A 50 -11.377 0.566 -2.781 1.00 1.13 H new ATOM 0 HE2 TYR A 50 -15.473 -0.203 -3.668 1.00 1.24 H new ATOM 0 HH TYR A 50 -13.317 1.768 -4.537 1.00 1.34 H new ATOM 796 N HIS A 51 -14.745 -4.181 0.245 1.00 1.28 N ATOM 797 CA HIS A 51 -15.861 -3.800 1.121 1.00 1.53 C ATOM 798 C HIS A 51 -16.642 -5.043 1.584 1.00 1.61 C ATOM 799 O HIS A 51 -16.046 -6.086 1.857 1.00 2.07 O ATOM 800 CB HIS A 51 -16.769 -2.765 0.421 1.00 2.01 C ATOM 801 CG HIS A 51 -17.462 -3.263 -0.817 1.00 2.54 C ATOM 802 ND1 HIS A 51 -18.771 -2.983 -1.106 1.00 3.19 N ATOM 803 CD2 HIS A 51 -17.029 -4.015 -1.858 1.00 2.89 C ATOM 804 CE1 HIS A 51 -19.129 -3.518 -2.248 1.00 3.87 C ATOM 805 NE2 HIS A 51 -18.084 -4.161 -2.741 1.00 3.74 N ATOM 0 H HIS A 51 -14.932 -4.993 -0.343 1.00 1.28 H new ATOM 0 HA HIS A 51 -15.460 -3.325 2.016 1.00 1.53 H new ATOM 0 HB2 HIS A 51 -17.524 -2.427 1.131 1.00 2.01 H new ATOM 0 HB3 HIS A 51 -16.167 -1.895 0.158 1.00 2.01 H new ATOM 0 HD2 HIS A 51 -16.038 -4.427 -1.977 1.00 2.89 H new ATOM 0 HE1 HIS A 51 -20.105 -3.446 -2.705 1.00 3.87 H new ATOM 0 HE2 HIS A 51 -18.060 -4.676 -3.621 1.00 3.74 H new ATOM 813 N SER A 52 -17.969 -4.916 1.700 1.00 1.60 N ATOM 814 CA SER A 52 -18.835 -6.010 2.163 1.00 1.96 C ATOM 815 C SER A 52 -19.011 -7.097 1.089 1.00 1.85 C ATOM 816 O SER A 52 -18.520 -8.221 1.246 1.00 2.45 O ATOM 817 CB SER A 52 -20.211 -5.450 2.600 1.00 2.44 C ATOM 818 OG SER A 52 -20.159 -4.039 2.808 1.00 2.65 O ATOM 0 H SER A 52 -18.472 -4.057 1.477 1.00 1.60 H new ATOM 0 HA SER A 52 -18.350 -6.478 3.020 1.00 1.96 H new ATOM 0 HB2 SER A 52 -20.957 -5.679 1.839 1.00 2.44 H new ATOM 0 HB3 SER A 52 -20.531 -5.943 3.518 1.00 2.44 H new ATOM 0 HG SER A 52 -21.043 -3.716 3.081 1.00 2.65 H new ATOM 824 N GLU A 53 -19.724 -6.768 0.008 1.00 1.45 N ATOM 825 CA GLU A 53 -19.989 -7.718 -1.081 1.00 1.37 C ATOM 826 C GLU A 53 -18.810 -7.789 -2.056 1.00 1.08 C ATOM 827 O GLU A 53 -18.907 -7.319 -3.193 1.00 1.24 O ATOM 828 CB GLU A 53 -21.264 -7.309 -1.831 1.00 1.73 C ATOM 829 CG GLU A 53 -22.501 -7.384 -0.926 1.00 2.39 C ATOM 830 CD GLU A 53 -23.671 -6.628 -1.548 1.00 2.88 C ATOM 831 OE1 GLU A 53 -23.500 -5.454 -1.929 1.00 3.23 O ATOM 832 OE2 GLU A 53 -24.763 -7.218 -1.667 1.00 3.46 O ATOM 0 H GLU A 53 -20.131 -5.844 -0.138 1.00 1.45 H new ATOM 0 HA GLU A 53 -20.125 -8.707 -0.643 1.00 1.37 H new ATOM 0 HB2 GLU A 53 -21.153 -6.294 -2.212 1.00 1.73 H new ATOM 0 HB3 GLU A 53 -21.404 -7.960 -2.694 1.00 1.73 H new ATOM 0 HG2 GLU A 53 -22.778 -8.426 -0.767 1.00 2.39 H new ATOM 0 HG3 GLU A 53 -22.268 -6.963 0.052 1.00 2.39 H new ATOM 839 N VAL A 54 -17.707 -8.393 -1.610 1.00 0.84 N ATOM 840 CA VAL A 54 -16.511 -8.549 -2.444 1.00 0.66 C ATOM 841 C VAL A 54 -16.629 -9.816 -3.308 1.00 0.55 C ATOM 842 O VAL A 54 -16.433 -9.746 -4.521 1.00 0.49 O ATOM 843 CB VAL A 54 -15.235 -8.562 -1.572 1.00 0.81 C ATOM 844 CG1 VAL A 54 -14.027 -9.108 -2.346 1.00 0.77 C ATOM 845 CG2 VAL A 54 -14.942 -7.153 -1.056 1.00 1.34 C ATOM 0 H VAL A 54 -17.616 -8.784 -0.672 1.00 0.84 H new ATOM 0 HA VAL A 54 -16.432 -7.695 -3.116 1.00 0.66 H new ATOM 0 HB VAL A 54 -15.412 -9.227 -0.726 1.00 0.81 H new ATOM 0 HG11 VAL A 54 -13.149 -9.102 -1.701 1.00 0.77 H new ATOM 0 HG12 VAL A 54 -14.233 -10.128 -2.669 1.00 0.77 H new ATOM 0 HG13 VAL A 54 -13.841 -8.482 -3.218 1.00 0.77 H new ATOM 0 HG21 VAL A 54 -14.041 -7.170 -0.442 1.00 1.34 H new ATOM 0 HG22 VAL A 54 -14.793 -6.480 -1.900 1.00 1.34 H new ATOM 0 HG23 VAL A 54 -15.783 -6.803 -0.457 1.00 1.34 H new ATOM 855 N PRO A 55 -16.971 -10.995 -2.716 1.00 0.62 N ATOM 856 CA PRO A 55 -17.126 -12.245 -3.471 1.00 0.59 C ATOM 857 C PRO A 55 -18.557 -12.387 -4.004 1.00 0.58 C ATOM 858 O PRO A 55 -19.515 -12.409 -3.225 1.00 0.83 O ATOM 859 CB PRO A 55 -16.816 -13.329 -2.439 1.00 0.76 C ATOM 860 CG PRO A 55 -17.123 -12.721 -1.101 1.00 0.87 C ATOM 861 CD PRO A 55 -17.252 -11.220 -1.284 1.00 0.83 C ATOM 0 HA PRO A 55 -16.477 -12.296 -4.345 1.00 0.59 H new ATOM 0 HB2 PRO A 55 -17.422 -14.218 -2.612 1.00 0.76 H new ATOM 0 HB3 PRO A 55 -15.772 -13.638 -2.498 1.00 0.76 H new ATOM 0 HG2 PRO A 55 -18.046 -13.136 -0.697 1.00 0.87 H new ATOM 0 HG3 PRO A 55 -16.331 -12.951 -0.388 1.00 0.87 H new ATOM 0 HD2 PRO A 55 -18.250 -10.872 -1.016 1.00 0.83 H new ATOM 0 HD3 PRO A 55 -16.546 -10.681 -0.652 1.00 0.83 H new ATOM 869 N VAL A 56 -18.700 -12.470 -5.323 1.00 0.41 N ATOM 870 CA VAL A 56 -20.013 -12.597 -5.957 1.00 0.43 C ATOM 871 C VAL A 56 -19.977 -13.706 -7.006 1.00 0.42 C ATOM 872 O VAL A 56 -19.030 -13.807 -7.784 1.00 0.43 O ATOM 873 CB VAL A 56 -20.405 -11.254 -6.597 1.00 0.44 C ATOM 874 CG1 VAL A 56 -21.688 -11.380 -7.427 1.00 0.62 C ATOM 875 CG2 VAL A 56 -20.572 -10.177 -5.525 1.00 0.63 C ATOM 0 H VAL A 56 -17.919 -12.452 -5.979 1.00 0.41 H new ATOM 0 HA VAL A 56 -20.759 -12.859 -5.207 1.00 0.43 H new ATOM 0 HB VAL A 56 -19.598 -10.962 -7.269 1.00 0.44 H new ATOM 0 HG11 VAL A 56 -21.935 -10.413 -7.864 1.00 0.62 H new ATOM 0 HG12 VAL A 56 -21.537 -12.110 -8.222 1.00 0.62 H new ATOM 0 HG13 VAL A 56 -22.506 -11.708 -6.785 1.00 0.62 H new ATOM 0 HG21 VAL A 56 -20.849 -9.234 -5.997 1.00 0.63 H new ATOM 0 HG22 VAL A 56 -21.353 -10.477 -4.827 1.00 0.63 H new ATOM 0 HG23 VAL A 56 -19.633 -10.051 -4.986 1.00 0.63 H new ATOM 885 N SER A 57 -21.013 -14.541 -7.022 1.00 0.47 N ATOM 886 CA SER A 57 -21.118 -15.645 -7.963 1.00 0.48 C ATOM 887 C SER A 57 -21.729 -15.157 -9.286 1.00 0.46 C ATOM 888 O SER A 57 -22.787 -14.527 -9.300 1.00 0.59 O ATOM 889 CB SER A 57 -21.981 -16.744 -7.352 1.00 0.61 C ATOM 890 OG SER A 57 -21.924 -16.720 -5.926 1.00 0.91 O ATOM 0 H SER A 57 -21.803 -14.468 -6.381 1.00 0.47 H new ATOM 0 HA SER A 57 -20.124 -16.042 -8.171 1.00 0.48 H new ATOM 0 HB2 SER A 57 -23.014 -16.621 -7.678 1.00 0.61 H new ATOM 0 HB3 SER A 57 -21.646 -17.716 -7.715 1.00 0.61 H new ATOM 0 HG SER A 57 -22.488 -17.435 -5.564 1.00 0.91 H new ATOM 896 N LEU A 58 -21.054 -15.465 -10.386 1.00 0.44 N ATOM 897 CA LEU A 58 -21.497 -15.088 -11.732 1.00 0.49 C ATOM 898 C LEU A 58 -22.572 -16.068 -12.215 1.00 0.60 C ATOM 899 O LEU A 58 -23.723 -15.680 -12.420 1.00 0.89 O ATOM 900 CB LEU A 58 -20.279 -15.097 -12.676 1.00 0.67 C ATOM 901 CG LEU A 58 -20.588 -14.466 -14.035 1.00 0.70 C ATOM 902 CD1 LEU A 58 -20.563 -12.939 -13.951 1.00 0.60 C ATOM 903 CD2 LEU A 58 -19.595 -14.947 -15.090 1.00 0.86 C ATOM 0 H LEU A 58 -20.178 -15.987 -10.375 1.00 0.44 H new ATOM 0 HA LEU A 58 -21.931 -14.088 -11.721 1.00 0.49 H new ATOM 0 HB2 LEU A 58 -19.456 -14.558 -12.207 1.00 0.67 H new ATOM 0 HB3 LEU A 58 -19.945 -16.124 -12.823 1.00 0.67 H new ATOM 0 HG LEU A 58 -21.591 -14.779 -14.326 1.00 0.70 H new ATOM 0 HD11 LEU A 58 -20.786 -12.517 -14.931 1.00 0.60 H new ATOM 0 HD12 LEU A 58 -21.310 -12.602 -13.232 1.00 0.60 H new ATOM 0 HD13 LEU A 58 -19.575 -12.608 -13.630 1.00 0.60 H new ATOM 0 HD21 LEU A 58 -19.832 -14.487 -16.049 1.00 0.86 H new ATOM 0 HD22 LEU A 58 -18.584 -14.667 -14.793 1.00 0.86 H new ATOM 0 HD23 LEU A 58 -19.659 -16.031 -15.182 1.00 0.86 H new ATOM 915 N LYS A 59 -22.160 -17.342 -12.344 1.00 0.70 N ATOM 916 CA LYS A 59 -22.996 -18.488 -12.759 1.00 0.90 C ATOM 917 C LYS A 59 -24.202 -18.107 -13.639 1.00 0.87 C ATOM 918 O LYS A 59 -25.287 -17.818 -13.129 1.00 0.95 O ATOM 919 CB LYS A 59 -23.454 -19.228 -11.498 1.00 1.13 C ATOM 920 CG LYS A 59 -24.213 -20.519 -11.824 1.00 1.41 C ATOM 921 CD LYS A 59 -23.346 -21.479 -12.641 1.00 1.78 C ATOM 922 CE LYS A 59 -23.727 -22.943 -12.405 1.00 2.18 C ATOM 923 NZ LYS A 59 -25.183 -23.189 -12.611 1.00 2.83 N ATOM 0 H LYS A 59 -21.196 -17.615 -12.155 1.00 0.70 H new ATOM 0 HA LYS A 59 -22.383 -19.129 -13.392 1.00 0.90 H new ATOM 0 HB2 LYS A 59 -22.586 -19.465 -10.883 1.00 1.13 H new ATOM 0 HB3 LYS A 59 -24.094 -18.573 -10.907 1.00 1.13 H new ATOM 0 HG2 LYS A 59 -24.525 -21.004 -10.899 1.00 1.41 H new ATOM 0 HG3 LYS A 59 -25.120 -20.280 -12.380 1.00 1.41 H new ATOM 0 HD2 LYS A 59 -23.447 -21.245 -13.701 1.00 1.78 H new ATOM 0 HD3 LYS A 59 -22.298 -21.331 -12.380 1.00 1.78 H new ATOM 0 HE2 LYS A 59 -23.154 -23.579 -13.080 1.00 2.18 H new ATOM 0 HE3 LYS A 59 -23.453 -23.228 -11.389 1.00 2.18 H new ATOM 0 HZ1 LYS A 59 -25.328 -24.169 -12.926 1.00 2.83 H new ATOM 0 HZ2 LYS A 59 -25.691 -23.034 -11.717 1.00 2.83 H new ATOM 0 HZ3 LYS A 59 -25.547 -22.536 -13.334 1.00 2.83 H new ATOM 937 N GLU A 60 -24.003 -18.138 -14.960 1.00 0.89 N ATOM 938 CA GLU A 60 -25.052 -17.825 -15.942 1.00 0.93 C ATOM 939 C GLU A 60 -25.527 -16.372 -15.804 1.00 0.71 C ATOM 940 O GLU A 60 -26.678 -16.107 -15.433 1.00 0.82 O ATOM 941 CB GLU A 60 -26.229 -18.807 -15.804 1.00 1.20 C ATOM 942 CG GLU A 60 -25.786 -20.252 -16.072 1.00 1.43 C ATOM 943 CD GLU A 60 -26.742 -21.237 -15.414 1.00 1.80 C ATOM 944 OE1 GLU A 60 -27.967 -21.023 -15.489 1.00 2.04 O ATOM 945 OE2 GLU A 60 -26.272 -22.234 -14.831 1.00 2.33 O ATOM 0 H GLU A 60 -23.107 -18.382 -15.383 1.00 0.89 H new ATOM 0 HA GLU A 60 -24.627 -17.938 -16.939 1.00 0.93 H new ATOM 0 HB2 GLU A 60 -26.650 -18.734 -14.801 1.00 1.20 H new ATOM 0 HB3 GLU A 60 -27.019 -18.531 -16.503 1.00 1.20 H new ATOM 0 HG2 GLU A 60 -25.751 -20.434 -17.146 1.00 1.43 H new ATOM 0 HG3 GLU A 60 -24.777 -20.406 -15.689 1.00 1.43 H new ATOM 952 N ALA A 61 -24.630 -15.437 -16.113 1.00 0.51 N ATOM 953 CA ALA A 61 -24.925 -14.005 -16.043 1.00 0.35 C ATOM 954 C ALA A 61 -25.372 -13.486 -17.404 1.00 0.35 C ATOM 955 O ALA A 61 -24.761 -13.801 -18.428 1.00 0.43 O ATOM 956 CB ALA A 61 -23.677 -13.230 -15.613 1.00 0.31 C ATOM 0 H ALA A 61 -23.680 -15.649 -16.418 1.00 0.51 H new ATOM 0 HA ALA A 61 -25.723 -13.860 -15.315 1.00 0.35 H new ATOM 0 HB1 ALA A 61 -23.908 -12.166 -15.564 1.00 0.31 H new ATOM 0 HB2 ALA A 61 -23.354 -13.576 -14.631 1.00 0.31 H new ATOM 0 HB3 ALA A 61 -22.879 -13.395 -16.337 1.00 0.31 H new ATOM 962 N ILE A 62 -26.402 -12.646 -17.404 1.00 0.34 N ATOM 963 CA ILE A 62 -26.894 -12.026 -18.630 1.00 0.37 C ATOM 964 C ILE A 62 -26.048 -10.783 -18.875 1.00 0.31 C ATOM 965 O ILE A 62 -25.843 -9.981 -17.962 1.00 0.31 O ATOM 966 CB ILE A 62 -28.374 -11.642 -18.503 1.00 0.46 C ATOM 967 CG1 ILE A 62 -29.241 -12.882 -18.255 1.00 0.53 C ATOM 968 CG2 ILE A 62 -28.849 -10.902 -19.759 1.00 0.57 C ATOM 969 CD1 ILE A 62 -30.649 -12.496 -17.807 1.00 1.27 C ATOM 0 H ILE A 62 -26.915 -12.378 -16.564 1.00 0.34 H new ATOM 0 HA ILE A 62 -26.815 -12.726 -19.462 1.00 0.37 H new ATOM 0 HB ILE A 62 -28.477 -10.975 -17.647 1.00 0.46 H new ATOM 0 HG12 ILE A 62 -29.298 -13.477 -19.167 1.00 0.53 H new ATOM 0 HG13 ILE A 62 -28.774 -13.508 -17.495 1.00 0.53 H new ATOM 0 HG21 ILE A 62 -29.901 -10.638 -19.650 1.00 0.57 H new ATOM 0 HG22 ILE A 62 -28.259 -9.995 -19.892 1.00 0.57 H new ATOM 0 HG23 ILE A 62 -28.725 -11.546 -20.630 1.00 0.57 H new ATOM 0 HD11 ILE A 62 -31.238 -13.398 -17.640 1.00 1.27 H new ATOM 0 HD12 ILE A 62 -30.592 -11.923 -16.881 1.00 1.27 H new ATOM 0 HD13 ILE A 62 -31.124 -11.891 -18.580 1.00 1.27 H new ATOM 981 N CYS A 63 -25.536 -10.636 -20.083 1.00 0.34 N ATOM 982 CA CYS A 63 -24.684 -9.502 -20.417 1.00 0.33 C ATOM 983 C CYS A 63 -25.055 -8.933 -21.787 1.00 0.34 C ATOM 984 O CYS A 63 -24.914 -9.598 -22.815 1.00 0.52 O ATOM 985 CB CYS A 63 -23.208 -9.949 -20.345 1.00 0.37 C ATOM 986 SG CYS A 63 -22.069 -8.844 -21.201 1.00 0.53 S ATOM 0 H CYS A 63 -25.694 -11.287 -20.852 1.00 0.34 H new ATOM 0 HA CYS A 63 -24.833 -8.696 -19.699 1.00 0.33 H new ATOM 0 HB2 CYS A 63 -22.911 -10.022 -19.299 1.00 0.37 H new ATOM 0 HB3 CYS A 63 -23.120 -10.948 -20.772 1.00 0.37 H new ATOM 0 HG CYS A 63 -21.548 -8.012 -20.348 1.00 0.53 H new ATOM 992 N GLU A 64 -25.523 -7.682 -21.778 1.00 0.26 N ATOM 993 CA GLU A 64 -25.920 -6.959 -22.993 1.00 0.29 C ATOM 994 C GLU A 64 -24.834 -5.948 -23.358 1.00 0.24 C ATOM 995 O GLU A 64 -24.120 -5.459 -22.484 1.00 0.36 O ATOM 996 CB GLU A 64 -27.250 -6.231 -22.764 1.00 0.33 C ATOM 997 CG GLU A 64 -28.355 -7.207 -22.342 1.00 0.81 C ATOM 998 CD GLU A 64 -29.583 -6.454 -21.846 1.00 1.41 C ATOM 999 OE1 GLU A 64 -29.421 -5.447 -21.132 1.00 1.96 O ATOM 1000 OE2 GLU A 64 -30.712 -6.867 -22.174 1.00 1.83 O ATOM 0 H GLU A 64 -25.638 -7.138 -20.923 1.00 0.26 H new ATOM 0 HA GLU A 64 -26.046 -7.671 -23.809 1.00 0.29 H new ATOM 0 HB2 GLU A 64 -27.122 -5.469 -21.995 1.00 0.33 H new ATOM 0 HB3 GLU A 64 -27.547 -5.716 -23.677 1.00 0.33 H new ATOM 0 HG2 GLU A 64 -28.628 -7.841 -23.186 1.00 0.81 H new ATOM 0 HG3 GLU A 64 -27.984 -7.865 -21.556 1.00 0.81 H new ATOM 1007 N VAL A 65 -24.713 -5.640 -24.642 1.00 0.34 N ATOM 1008 CA VAL A 65 -23.706 -4.689 -25.129 1.00 0.32 C ATOM 1009 C VAL A 65 -24.329 -3.301 -25.331 1.00 0.31 C ATOM 1010 O VAL A 65 -25.341 -3.159 -26.021 1.00 0.43 O ATOM 1011 CB VAL A 65 -23.097 -5.198 -26.452 1.00 0.45 C ATOM 1012 CG1 VAL A 65 -21.726 -4.565 -26.696 1.00 0.34 C ATOM 1013 CG2 VAL A 65 -22.975 -6.726 -26.455 1.00 0.39 C ATOM 0 H VAL A 65 -25.302 -6.035 -25.375 1.00 0.34 H new ATOM 0 HA VAL A 65 -22.915 -4.606 -24.383 1.00 0.32 H new ATOM 0 HB VAL A 65 -23.770 -4.905 -27.258 1.00 0.45 H new ATOM 0 HG11 VAL A 65 -21.315 -4.938 -27.634 1.00 0.34 H new ATOM 0 HG12 VAL A 65 -21.830 -3.481 -26.751 1.00 0.34 H new ATOM 0 HG13 VAL A 65 -21.055 -4.824 -25.877 1.00 0.34 H new ATOM 0 HG21 VAL A 65 -22.543 -7.055 -27.400 1.00 0.39 H new ATOM 0 HG22 VAL A 65 -22.332 -7.041 -25.633 1.00 0.39 H new ATOM 0 HG23 VAL A 65 -23.963 -7.170 -26.334 1.00 0.39 H new ATOM 1023 N ALA A 66 -23.710 -2.285 -24.724 1.00 0.25 N ATOM 1024 CA ALA A 66 -24.154 -0.887 -24.813 1.00 0.31 C ATOM 1025 C ALA A 66 -22.949 -0.004 -25.179 1.00 0.34 C ATOM 1026 O ALA A 66 -22.353 0.658 -24.326 1.00 0.36 O ATOM 1027 CB ALA A 66 -24.782 -0.446 -23.477 1.00 0.36 C ATOM 0 H ALA A 66 -22.876 -2.409 -24.150 1.00 0.25 H new ATOM 0 HA ALA A 66 -24.915 -0.785 -25.587 1.00 0.31 H new ATOM 0 HB1 ALA A 66 -25.108 0.591 -23.553 1.00 0.36 H new ATOM 0 HB2 ALA A 66 -25.639 -1.080 -23.251 1.00 0.36 H new ATOM 0 HB3 ALA A 66 -24.044 -0.537 -22.680 1.00 0.36 H new ATOM 1033 N LEU A 67 -22.579 -0.026 -26.464 1.00 0.55 N ATOM 1034 CA LEU A 67 -21.427 0.735 -26.990 1.00 0.71 C ATOM 1035 C LEU A 67 -21.558 2.247 -26.749 1.00 0.89 C ATOM 1036 O LEU A 67 -20.549 2.932 -26.589 1.00 1.22 O ATOM 1037 CB LEU A 67 -21.274 0.454 -28.494 1.00 0.76 C ATOM 1038 CG LEU A 67 -19.804 0.444 -28.922 1.00 0.99 C ATOM 1039 CD1 LEU A 67 -19.171 -0.915 -28.619 1.00 1.38 C ATOM 1040 CD2 LEU A 67 -19.663 0.785 -30.406 1.00 1.39 C ATOM 0 H LEU A 67 -23.067 -0.571 -27.175 1.00 0.55 H new ATOM 0 HA LEU A 67 -20.540 0.403 -26.451 1.00 0.71 H new ATOM 0 HB2 LEU A 67 -21.729 -0.507 -28.733 1.00 0.76 H new ATOM 0 HB3 LEU A 67 -21.813 1.212 -29.062 1.00 0.76 H new ATOM 0 HG LEU A 67 -19.277 1.208 -28.350 1.00 0.99 H new ATOM 0 HD11 LEU A 67 -18.126 -0.907 -28.929 1.00 1.38 H new ATOM 0 HD12 LEU A 67 -19.231 -1.114 -27.549 1.00 1.38 H new ATOM 0 HD13 LEU A 67 -19.705 -1.694 -29.163 1.00 1.38 H new ATOM 0 HD21 LEU A 67 -18.609 0.771 -30.684 1.00 1.39 H new ATOM 0 HD22 LEU A 67 -20.205 0.050 -31.001 1.00 1.39 H new ATOM 0 HD23 LEU A 67 -20.074 1.777 -30.592 1.00 1.39 H new ATOM 1052 N ASP A 68 -22.793 2.759 -26.719 1.00 0.90 N ATOM 1053 CA ASP A 68 -23.044 4.189 -26.490 1.00 1.14 C ATOM 1054 C ASP A 68 -24.154 4.359 -25.451 1.00 0.87 C ATOM 1055 O ASP A 68 -25.279 4.747 -25.780 1.00 1.00 O ATOM 1056 CB ASP A 68 -23.422 4.888 -27.812 1.00 1.59 C ATOM 1057 CG ASP A 68 -23.372 6.413 -27.679 1.00 2.35 C ATOM 1058 OD1 ASP A 68 -23.163 6.930 -26.559 1.00 3.07 O ATOM 1059 OD2 ASP A 68 -23.550 7.106 -28.703 1.00 2.62 O ATOM 0 H ASP A 68 -23.638 2.203 -26.851 1.00 0.90 H new ATOM 0 HA ASP A 68 -22.134 4.654 -26.110 1.00 1.14 H new ATOM 0 HB2 ASP A 68 -22.741 4.569 -28.601 1.00 1.59 H new ATOM 0 HB3 ASP A 68 -24.424 4.581 -28.113 1.00 1.59 H new ATOM 1064 N TYR A 69 -23.829 4.068 -24.192 1.00 0.81 N ATOM 1065 CA TYR A 69 -24.787 4.189 -23.087 1.00 0.69 C ATOM 1066 C TYR A 69 -24.753 5.613 -22.516 1.00 0.97 C ATOM 1067 O TYR A 69 -24.186 5.854 -21.449 1.00 1.47 O ATOM 1068 CB TYR A 69 -24.466 3.154 -21.991 1.00 0.58 C ATOM 1069 CG TYR A 69 -25.395 3.243 -20.795 1.00 0.53 C ATOM 1070 CD1 TYR A 69 -26.706 2.801 -20.897 1.00 0.72 C ATOM 1071 CD2 TYR A 69 -24.931 3.742 -19.589 1.00 0.55 C ATOM 1072 CE1 TYR A 69 -27.547 2.856 -19.799 1.00 0.85 C ATOM 1073 CE2 TYR A 69 -25.777 3.802 -18.493 1.00 0.64 C ATOM 1074 CZ TYR A 69 -27.101 3.456 -18.629 1.00 0.76 C ATOM 1075 OH TYR A 69 -27.910 3.403 -17.510 1.00 0.97 O ATOM 0 H TYR A 69 -22.904 3.745 -23.908 1.00 0.81 H new ATOM 0 HA TYR A 69 -25.791 3.991 -23.462 1.00 0.69 H new ATOM 0 HB2 TYR A 69 -24.527 2.152 -22.417 1.00 0.58 H new ATOM 0 HB3 TYR A 69 -23.438 3.296 -21.656 1.00 0.58 H new ATOM 0 HD1 TYR A 69 -27.072 2.413 -21.836 1.00 0.72 H new ATOM 0 HD2 TYR A 69 -23.910 4.084 -19.503 1.00 0.55 H new ATOM 0 HE1 TYR A 69 -28.541 2.436 -19.852 1.00 0.85 H new ATOM 0 HE2 TYR A 69 -25.397 4.120 -17.533 1.00 0.64 H new ATOM 0 HH TYR A 69 -27.469 3.863 -16.765 1.00 0.97 H new ATOM 1085 N LYS A 70 -25.367 6.550 -23.243 1.00 1.40 N ATOM 1086 CA LYS A 70 -25.436 7.970 -22.844 1.00 1.81 C ATOM 1087 C LYS A 70 -24.037 8.605 -22.774 1.00 1.82 C ATOM 1088 O LYS A 70 -23.591 9.040 -21.709 1.00 2.53 O ATOM 1089 CB LYS A 70 -26.168 8.121 -21.498 1.00 2.43 C ATOM 1090 CG LYS A 70 -27.575 7.493 -21.534 1.00 2.98 C ATOM 1091 CD LYS A 70 -27.763 6.464 -20.421 1.00 3.79 C ATOM 1092 CE LYS A 70 -29.243 6.182 -20.151 1.00 4.45 C ATOM 1093 NZ LYS A 70 -29.900 5.508 -21.305 1.00 4.84 N ATOM 0 H LYS A 70 -25.833 6.351 -24.128 1.00 1.40 H new ATOM 0 HA LYS A 70 -26.002 8.501 -23.609 1.00 1.81 H new ATOM 0 HB2 LYS A 70 -25.580 7.649 -20.710 1.00 2.43 H new ATOM 0 HB3 LYS A 70 -26.249 9.178 -21.246 1.00 2.43 H new ATOM 0 HG2 LYS A 70 -28.326 8.277 -21.436 1.00 2.98 H new ATOM 0 HG3 LYS A 70 -27.736 7.017 -22.501 1.00 2.98 H new ATOM 0 HD2 LYS A 70 -27.260 5.536 -20.695 1.00 3.79 H new ATOM 0 HD3 LYS A 70 -27.290 6.825 -19.508 1.00 3.79 H new ATOM 0 HE2 LYS A 70 -29.337 5.556 -19.264 1.00 4.45 H new ATOM 0 HE3 LYS A 70 -29.758 7.119 -19.937 1.00 4.45 H new ATOM 0 HZ1 LYS A 70 -30.901 5.335 -21.082 1.00 4.84 H new ATOM 0 HZ2 LYS A 70 -29.833 6.116 -22.146 1.00 4.84 H new ATOM 0 HZ3 LYS A 70 -29.426 4.602 -21.494 1.00 4.84 H new ATOM 1107 N LYS A 71 -23.355 8.646 -23.924 1.00 1.80 N ATOM 1108 CA LYS A 71 -22.001 9.218 -24.056 1.00 2.22 C ATOM 1109 C LYS A 71 -20.974 8.463 -23.198 1.00 2.19 C ATOM 1110 O LYS A 71 -20.182 9.067 -22.468 1.00 2.78 O ATOM 1111 CB LYS A 71 -22.002 10.723 -23.723 1.00 2.97 C ATOM 1112 CG LYS A 71 -22.578 11.546 -24.875 1.00 3.56 C ATOM 1113 CD LYS A 71 -21.543 11.733 -25.991 1.00 4.44 C ATOM 1114 CE LYS A 71 -22.053 12.672 -27.079 1.00 5.27 C ATOM 1115 NZ LYS A 71 -23.186 12.073 -27.840 1.00 5.62 N ATOM 0 H LYS A 71 -23.727 8.281 -24.801 1.00 1.80 H new ATOM 0 HA LYS A 71 -21.700 9.101 -25.097 1.00 2.22 H new ATOM 0 HB2 LYS A 71 -22.587 10.898 -22.820 1.00 2.97 H new ATOM 0 HB3 LYS A 71 -20.984 11.052 -23.512 1.00 2.97 H new ATOM 0 HG2 LYS A 71 -23.462 11.049 -25.274 1.00 3.56 H new ATOM 0 HG3 LYS A 71 -22.899 12.520 -24.505 1.00 3.56 H new ATOM 0 HD2 LYS A 71 -20.620 12.131 -25.569 1.00 4.44 H new ATOM 0 HD3 LYS A 71 -21.301 10.765 -26.429 1.00 4.44 H new ATOM 0 HE2 LYS A 71 -22.374 13.611 -26.628 1.00 5.27 H new ATOM 0 HE3 LYS A 71 -21.240 12.910 -27.765 1.00 5.27 H new ATOM 0 HZ1 LYS A 71 -23.483 12.727 -28.592 1.00 5.62 H new ATOM 0 HZ2 LYS A 71 -22.882 11.173 -28.263 1.00 5.62 H new ATOM 0 HZ3 LYS A 71 -23.984 11.901 -27.196 1.00 5.62 H new ATOM 1129 N LYS A 72 -20.986 7.141 -23.322 1.00 2.22 N ATOM 1130 CA LYS A 72 -20.063 6.251 -22.609 1.00 2.54 C ATOM 1131 C LYS A 72 -19.623 5.180 -23.600 1.00 1.92 C ATOM 1132 O LYS A 72 -20.459 4.567 -24.265 1.00 2.45 O ATOM 1133 CB LYS A 72 -20.741 5.646 -21.372 1.00 3.71 C ATOM 1134 CG LYS A 72 -21.331 6.747 -20.490 1.00 4.59 C ATOM 1135 CD LYS A 72 -21.700 6.232 -19.098 1.00 5.67 C ATOM 1136 CE LYS A 72 -22.835 7.054 -18.475 1.00 6.56 C ATOM 1137 NZ LYS A 72 -22.834 8.471 -18.947 1.00 7.03 N ATOM 0 H LYS A 72 -21.642 6.646 -23.926 1.00 2.22 H new ATOM 0 HA LYS A 72 -19.193 6.796 -22.242 1.00 2.54 H new ATOM 0 HB2 LYS A 72 -21.529 4.959 -21.682 1.00 3.71 H new ATOM 0 HB3 LYS A 72 -20.017 5.064 -20.802 1.00 3.71 H new ATOM 0 HG2 LYS A 72 -20.612 7.561 -20.396 1.00 4.59 H new ATOM 0 HG3 LYS A 72 -22.218 7.160 -20.970 1.00 4.59 H new ATOM 0 HD2 LYS A 72 -22.001 5.186 -19.164 1.00 5.67 H new ATOM 0 HD3 LYS A 72 -20.824 6.271 -18.451 1.00 5.67 H new ATOM 0 HE2 LYS A 72 -23.792 6.592 -18.720 1.00 6.56 H new ATOM 0 HE3 LYS A 72 -22.741 7.035 -17.389 1.00 6.56 H new ATOM 0 HZ1 LYS A 72 -23.355 9.063 -18.269 1.00 7.03 H new ATOM 0 HZ2 LYS A 72 -21.854 8.811 -19.022 1.00 7.03 H new ATOM 0 HZ3 LYS A 72 -23.292 8.527 -19.879 1.00 7.03 H new ATOM 1151 N LYS A 73 -18.310 5.005 -23.739 1.00 1.52 N ATOM 1152 CA LYS A 73 -17.740 4.071 -24.692 1.00 1.35 C ATOM 1153 C LYS A 73 -17.481 2.701 -24.081 1.00 1.05 C ATOM 1154 O LYS A 73 -16.794 2.556 -23.069 1.00 1.79 O ATOM 1155 CB LYS A 73 -16.434 4.639 -25.273 1.00 1.94 C ATOM 1156 CG LYS A 73 -15.522 5.221 -24.188 1.00 2.32 C ATOM 1157 CD LYS A 73 -14.045 5.089 -24.562 1.00 2.93 C ATOM 1158 CE LYS A 73 -13.678 6.003 -25.739 1.00 3.52 C ATOM 1159 NZ LYS A 73 -12.732 7.081 -25.330 1.00 3.96 N ATOM 0 H LYS A 73 -17.615 5.511 -23.190 1.00 1.52 H new ATOM 0 HA LYS A 73 -18.473 3.939 -25.488 1.00 1.35 H new ATOM 0 HB2 LYS A 73 -15.903 3.851 -25.807 1.00 1.94 H new ATOM 0 HB3 LYS A 73 -16.670 5.415 -26.002 1.00 1.94 H new ATOM 0 HG2 LYS A 73 -15.766 6.272 -24.033 1.00 2.32 H new ATOM 0 HG3 LYS A 73 -15.706 4.708 -23.244 1.00 2.32 H new ATOM 0 HD2 LYS A 73 -13.427 5.339 -23.700 1.00 2.93 H new ATOM 0 HD3 LYS A 73 -13.826 4.053 -24.822 1.00 2.93 H new ATOM 0 HE2 LYS A 73 -13.229 5.408 -26.535 1.00 3.52 H new ATOM 0 HE3 LYS A 73 -14.584 6.450 -26.148 1.00 3.52 H new ATOM 0 HZ1 LYS A 73 -12.508 7.677 -26.152 1.00 3.96 H new ATOM 0 HZ2 LYS A 73 -13.170 7.664 -24.589 1.00 3.96 H new ATOM 0 HZ3 LYS A 73 -11.857 6.654 -24.963 1.00 3.96 H new ATOM 1173 N HIS A 74 -18.007 1.711 -24.775 1.00 0.67 N ATOM 1174 CA HIS A 74 -17.853 0.278 -24.444 1.00 0.38 C ATOM 1175 C HIS A 74 -18.387 -0.077 -23.051 1.00 0.30 C ATOM 1176 O HIS A 74 -17.626 -0.475 -22.162 1.00 0.37 O ATOM 1177 CB HIS A 74 -16.374 -0.150 -24.574 1.00 0.64 C ATOM 1178 CG HIS A 74 -15.665 0.441 -25.761 1.00 0.91 C ATOM 1179 ND1 HIS A 74 -15.940 0.112 -27.064 1.00 1.30 N ATOM 1180 CD2 HIS A 74 -14.687 1.372 -25.837 1.00 1.38 C ATOM 1181 CE1 HIS A 74 -15.185 0.796 -27.889 1.00 1.47 C ATOM 1182 NE2 HIS A 74 -14.400 1.581 -27.173 1.00 1.53 N ATOM 0 H HIS A 74 -18.571 1.868 -25.610 1.00 0.67 H new ATOM 0 HA HIS A 74 -18.458 -0.274 -25.163 1.00 0.38 H new ATOM 0 HB2 HIS A 74 -15.843 0.138 -23.667 1.00 0.64 H new ATOM 0 HB3 HIS A 74 -16.326 -1.237 -24.640 1.00 0.64 H new ATOM 0 HD2 HIS A 74 -14.214 1.865 -25.001 1.00 1.38 H new ATOM 0 HE1 HIS A 74 -15.202 0.729 -28.967 1.00 1.47 H new ATOM 0 HE2 HIS A 74 -13.703 2.229 -27.542 1.00 1.53 H new ATOM 1190 N VAL A 75 -19.702 0.030 -22.881 1.00 0.26 N ATOM 1191 CA VAL A 75 -20.357 -0.309 -21.619 1.00 0.23 C ATOM 1192 C VAL A 75 -21.247 -1.531 -21.836 1.00 0.22 C ATOM 1193 O VAL A 75 -21.979 -1.590 -22.816 1.00 0.26 O ATOM 1194 CB VAL A 75 -21.194 0.883 -21.119 1.00 0.25 C ATOM 1195 CG1 VAL A 75 -21.889 0.551 -19.795 1.00 0.28 C ATOM 1196 CG2 VAL A 75 -20.310 2.120 -20.959 1.00 0.31 C ATOM 0 H VAL A 75 -20.341 0.352 -23.608 1.00 0.26 H new ATOM 0 HA VAL A 75 -19.605 -0.537 -20.864 1.00 0.23 H new ATOM 0 HB VAL A 75 -21.964 1.092 -21.862 1.00 0.25 H new ATOM 0 HG11 VAL A 75 -22.473 1.410 -19.465 1.00 0.28 H new ATOM 0 HG12 VAL A 75 -22.550 -0.304 -19.935 1.00 0.28 H new ATOM 0 HG13 VAL A 75 -21.140 0.311 -19.041 1.00 0.28 H new ATOM 0 HG21 VAL A 75 -20.914 2.955 -20.605 1.00 0.31 H new ATOM 0 HG22 VAL A 75 -19.520 1.912 -20.237 1.00 0.31 H new ATOM 0 HG23 VAL A 75 -19.865 2.376 -21.920 1.00 0.31 H new ATOM 1206 N PHE A 76 -21.200 -2.498 -20.930 1.00 0.22 N ATOM 1207 CA PHE A 76 -22.042 -3.690 -21.053 1.00 0.23 C ATOM 1208 C PHE A 76 -22.919 -3.827 -19.812 1.00 0.22 C ATOM 1209 O PHE A 76 -22.474 -3.606 -18.682 1.00 0.27 O ATOM 1210 CB PHE A 76 -21.218 -4.967 -21.320 1.00 0.26 C ATOM 1211 CG PHE A 76 -20.083 -5.227 -20.355 1.00 0.24 C ATOM 1212 CD1 PHE A 76 -18.842 -4.647 -20.564 1.00 0.26 C ATOM 1213 CD2 PHE A 76 -20.276 -6.074 -19.275 1.00 0.27 C ATOM 1214 CE1 PHE A 76 -17.796 -4.910 -19.693 1.00 0.28 C ATOM 1215 CE2 PHE A 76 -19.232 -6.336 -18.402 1.00 0.29 C ATOM 1216 CZ PHE A 76 -17.991 -5.755 -18.612 1.00 0.29 C ATOM 0 H PHE A 76 -20.596 -2.486 -20.108 1.00 0.22 H new ATOM 0 HA PHE A 76 -22.685 -3.565 -21.925 1.00 0.23 H new ATOM 0 HB2 PHE A 76 -21.892 -5.823 -21.299 1.00 0.26 H new ATOM 0 HB3 PHE A 76 -20.808 -4.909 -22.328 1.00 0.26 H new ATOM 0 HD1 PHE A 76 -18.689 -3.989 -21.407 1.00 0.26 H new ATOM 0 HD2 PHE A 76 -21.241 -6.530 -19.114 1.00 0.27 H new ATOM 0 HE1 PHE A 76 -16.830 -4.457 -19.857 1.00 0.28 H new ATOM 0 HE2 PHE A 76 -19.385 -6.993 -17.558 1.00 0.29 H new ATOM 0 HZ PHE A 76 -17.176 -5.961 -17.933 1.00 0.29 H new ATOM 1226 N LYS A 77 -24.178 -4.174 -20.048 1.00 0.23 N ATOM 1227 CA LYS A 77 -25.179 -4.337 -18.995 1.00 0.28 C ATOM 1228 C LYS A 77 -25.071 -5.747 -18.414 1.00 0.31 C ATOM 1229 O LYS A 77 -25.613 -6.702 -18.971 1.00 0.58 O ATOM 1230 CB LYS A 77 -26.570 -4.097 -19.600 1.00 0.36 C ATOM 1231 CG LYS A 77 -27.558 -3.476 -18.606 1.00 1.20 C ATOM 1232 CD LYS A 77 -28.554 -2.554 -19.325 1.00 1.33 C ATOM 1233 CE LYS A 77 -29.468 -1.810 -18.346 1.00 1.76 C ATOM 1234 NZ LYS A 77 -30.477 -2.719 -17.718 1.00 1.95 N ATOM 0 H LYS A 77 -24.539 -4.353 -20.985 1.00 0.23 H new ATOM 0 HA LYS A 77 -25.014 -3.620 -18.191 1.00 0.28 H new ATOM 0 HB2 LYS A 77 -26.475 -3.442 -20.466 1.00 0.36 H new ATOM 0 HB3 LYS A 77 -26.972 -5.044 -19.959 1.00 0.36 H new ATOM 0 HG2 LYS A 77 -28.099 -4.265 -18.084 1.00 1.20 H new ATOM 0 HG3 LYS A 77 -27.013 -2.910 -17.851 1.00 1.20 H new ATOM 0 HD2 LYS A 77 -28.006 -1.830 -19.928 1.00 1.33 H new ATOM 0 HD3 LYS A 77 -29.163 -3.144 -20.010 1.00 1.33 H new ATOM 0 HE2 LYS A 77 -28.863 -1.347 -17.567 1.00 1.76 H new ATOM 0 HE3 LYS A 77 -29.983 -1.005 -18.871 1.00 1.76 H new ATOM 0 HZ1 LYS A 77 -31.357 -2.193 -17.543 1.00 1.95 H new ATOM 0 HZ2 LYS A 77 -30.672 -3.516 -18.357 1.00 1.95 H new ATOM 0 HZ3 LYS A 77 -30.105 -3.081 -16.817 1.00 1.95 H new ATOM 1248 N LEU A 78 -24.342 -5.866 -17.311 1.00 0.23 N ATOM 1249 CA LEU A 78 -24.112 -7.151 -16.644 1.00 0.24 C ATOM 1250 C LEU A 78 -25.158 -7.395 -15.550 1.00 0.29 C ATOM 1251 O LEU A 78 -25.143 -6.739 -14.505 1.00 0.36 O ATOM 1252 CB LEU A 78 -22.694 -7.165 -16.050 1.00 0.30 C ATOM 1253 CG LEU A 78 -22.307 -8.529 -15.493 1.00 0.48 C ATOM 1254 CD1 LEU A 78 -22.625 -9.638 -16.490 1.00 0.30 C ATOM 1255 CD2 LEU A 78 -20.829 -8.567 -15.114 1.00 0.86 C ATOM 0 H LEU A 78 -23.891 -5.076 -16.850 1.00 0.23 H new ATOM 0 HA LEU A 78 -24.206 -7.954 -17.375 1.00 0.24 H new ATOM 0 HB2 LEU A 78 -21.979 -6.874 -16.819 1.00 0.30 H new ATOM 0 HB3 LEU A 78 -22.629 -6.421 -15.257 1.00 0.30 H new ATOM 0 HG LEU A 78 -22.898 -8.696 -14.592 1.00 0.48 H new ATOM 0 HD11 LEU A 78 -22.339 -10.601 -16.067 1.00 0.30 H new ATOM 0 HD12 LEU A 78 -23.694 -9.639 -16.704 1.00 0.30 H new ATOM 0 HD13 LEU A 78 -22.070 -9.468 -17.413 1.00 0.30 H new ATOM 0 HD21 LEU A 78 -20.580 -9.552 -14.719 1.00 0.86 H new ATOM 0 HD22 LEU A 78 -20.222 -8.365 -15.996 1.00 0.86 H new ATOM 0 HD23 LEU A 78 -20.628 -7.811 -14.355 1.00 0.86 H new ATOM 1267 N ARG A 79 -26.042 -8.363 -15.796 1.00 0.31 N ATOM 1268 CA ARG A 79 -27.095 -8.753 -14.852 1.00 0.40 C ATOM 1269 C ARG A 79 -26.805 -10.171 -14.368 1.00 0.45 C ATOM 1270 O ARG A 79 -26.954 -11.143 -15.117 1.00 0.51 O ATOM 1271 CB ARG A 79 -28.474 -8.673 -15.524 1.00 0.50 C ATOM 1272 CG ARG A 79 -29.614 -9.014 -14.551 1.00 1.11 C ATOM 1273 CD ARG A 79 -30.983 -8.944 -15.243 1.00 1.51 C ATOM 1274 NE ARG A 79 -31.929 -8.149 -14.453 1.00 1.91 N ATOM 1275 CZ ARG A 79 -32.860 -7.385 -15.022 1.00 2.46 C ATOM 1276 NH1 ARG A 79 -33.964 -7.943 -15.501 1.00 2.93 N ATOM 1277 NH2 ARG A 79 -32.671 -6.078 -15.113 1.00 2.99 N ATOM 0 H ARG A 79 -26.049 -8.903 -16.661 1.00 0.31 H new ATOM 0 HA ARG A 79 -27.106 -8.072 -14.001 1.00 0.40 H new ATOM 0 HB2 ARG A 79 -28.625 -7.669 -15.921 1.00 0.50 H new ATOM 0 HB3 ARG A 79 -28.504 -9.359 -16.371 1.00 0.50 H new ATOM 0 HG2 ARG A 79 -29.461 -10.014 -14.145 1.00 1.11 H new ATOM 0 HG3 ARG A 79 -29.595 -8.322 -13.709 1.00 1.11 H new ATOM 0 HD2 ARG A 79 -30.872 -8.505 -16.234 1.00 1.51 H new ATOM 0 HD3 ARG A 79 -31.376 -9.951 -15.383 1.00 1.51 H new ATOM 0 HE ARG A 79 -31.872 -8.182 -13.435 1.00 1.91 H new ATOM 0 HH11 ARG A 79 -34.096 -8.952 -15.433 1.00 2.93 H new ATOM 0 HH12 ARG A 79 -34.680 -7.363 -15.938 1.00 2.93 H new ATOM 0 HH21 ARG A 79 -31.815 -5.660 -14.748 1.00 2.99 H new ATOM 0 HH22 ARG A 79 -33.381 -5.489 -15.548 1.00 2.99 H new ATOM 1291 N LEU A 80 -26.352 -10.269 -13.124 1.00 0.54 N ATOM 1292 CA LEU A 80 -25.986 -11.534 -12.496 1.00 0.68 C ATOM 1293 C LEU A 80 -27.190 -12.473 -12.323 1.00 0.84 C ATOM 1294 O LEU A 80 -28.326 -12.128 -12.660 1.00 1.06 O ATOM 1295 CB LEU A 80 -25.313 -11.238 -11.153 1.00 0.82 C ATOM 1296 CG LEU A 80 -23.953 -10.580 -11.372 1.00 0.82 C ATOM 1297 CD1 LEU A 80 -24.085 -9.078 -11.552 1.00 1.26 C ATOM 1298 CD2 LEU A 80 -23.011 -10.896 -10.219 1.00 1.06 C ATOM 0 H LEU A 80 -26.227 -9.461 -12.514 1.00 0.54 H new ATOM 0 HA LEU A 80 -25.290 -12.060 -13.150 1.00 0.68 H new ATOM 0 HB2 LEU A 80 -25.949 -10.583 -10.557 1.00 0.82 H new ATOM 0 HB3 LEU A 80 -25.190 -12.163 -10.589 1.00 0.82 H new ATOM 0 HG LEU A 80 -23.532 -10.991 -12.290 1.00 0.82 H new ATOM 0 HD11 LEU A 80 -23.098 -8.642 -11.706 1.00 1.26 H new ATOM 0 HD12 LEU A 80 -24.713 -8.869 -12.418 1.00 1.26 H new ATOM 0 HD13 LEU A 80 -24.539 -8.643 -10.662 1.00 1.26 H new ATOM 0 HD21 LEU A 80 -22.047 -10.418 -10.395 1.00 1.06 H new ATOM 0 HD22 LEU A 80 -23.437 -10.522 -9.288 1.00 1.06 H new ATOM 0 HD23 LEU A 80 -22.873 -11.975 -10.147 1.00 1.06 H new ATOM 1310 N SER A 81 -26.917 -13.677 -11.824 1.00 1.01 N ATOM 1311 CA SER A 81 -27.935 -14.710 -11.628 1.00 1.23 C ATOM 1312 C SER A 81 -28.829 -14.426 -10.415 1.00 1.40 C ATOM 1313 O SER A 81 -30.041 -14.622 -10.481 1.00 1.92 O ATOM 1314 CB SER A 81 -27.239 -16.069 -11.473 1.00 1.52 C ATOM 1315 OG SER A 81 -27.691 -16.984 -12.463 1.00 2.18 O ATOM 0 H SER A 81 -25.980 -13.966 -11.543 1.00 1.01 H new ATOM 0 HA SER A 81 -28.587 -14.716 -12.501 1.00 1.23 H new ATOM 0 HB2 SER A 81 -26.160 -15.941 -11.555 1.00 1.52 H new ATOM 0 HB3 SER A 81 -27.437 -16.473 -10.480 1.00 1.52 H new ATOM 0 HG SER A 81 -26.920 -17.363 -12.935 1.00 2.18 H new ATOM 1321 N ASP A 82 -28.223 -13.981 -9.314 1.00 1.33 N ATOM 1322 CA ASP A 82 -28.958 -13.685 -8.069 1.00 1.76 C ATOM 1323 C ASP A 82 -30.028 -12.599 -8.281 1.00 1.31 C ATOM 1324 O ASP A 82 -31.136 -12.705 -7.754 1.00 1.74 O ATOM 1325 CB ASP A 82 -27.983 -13.290 -6.933 1.00 2.76 C ATOM 1326 CG ASP A 82 -27.388 -11.887 -7.112 1.00 3.46 C ATOM 1327 OD1 ASP A 82 -27.063 -11.519 -8.258 1.00 3.77 O ATOM 1328 OD2 ASP A 82 -27.254 -11.153 -6.112 1.00 3.98 O ATOM 0 H ASP A 82 -27.219 -13.815 -9.252 1.00 1.33 H new ATOM 0 HA ASP A 82 -29.477 -14.596 -7.772 1.00 1.76 H new ATOM 0 HB2 ASP A 82 -28.508 -13.337 -5.979 1.00 2.76 H new ATOM 0 HB3 ASP A 82 -27.173 -14.018 -6.887 1.00 2.76 H new ATOM 1333 N GLY A 83 -29.686 -11.566 -9.047 1.00 1.09 N ATOM 1334 CA GLY A 83 -30.606 -10.460 -9.333 1.00 1.53 C ATOM 1335 C GLY A 83 -29.862 -9.129 -9.462 1.00 1.31 C ATOM 1336 O GLY A 83 -30.386 -8.187 -10.087 1.00 1.88 O ATOM 0 H GLY A 83 -28.770 -11.469 -9.486 1.00 1.09 H new ATOM 0 HA2 GLY A 83 -31.148 -10.666 -10.256 1.00 1.53 H new ATOM 0 HA3 GLY A 83 -31.348 -10.388 -8.537 1.00 1.53 H new ATOM 1340 N ASN A 84 -28.643 -9.056 -8.873 1.00 0.93 N ATOM 1341 CA ASN A 84 -27.819 -7.835 -8.920 1.00 0.71 C ATOM 1342 C ASN A 84 -27.465 -7.478 -10.368 1.00 0.62 C ATOM 1343 O ASN A 84 -27.167 -8.358 -11.181 1.00 0.65 O ATOM 1344 CB ASN A 84 -26.532 -8.035 -8.098 1.00 0.84 C ATOM 1345 CG ASN A 84 -26.723 -7.554 -6.660 1.00 1.02 C ATOM 1346 OD1 ASN A 84 -26.652 -6.359 -6.380 1.00 1.73 O ATOM 1347 ND2 ASN A 84 -26.971 -8.481 -5.745 1.00 1.32 N ATOM 0 H ASN A 84 -28.215 -9.829 -8.363 1.00 0.93 H new ATOM 0 HA ASN A 84 -28.393 -7.014 -8.491 1.00 0.71 H new ATOM 0 HB2 ASN A 84 -26.255 -9.089 -8.099 1.00 0.84 H new ATOM 0 HB3 ASN A 84 -25.711 -7.489 -8.562 1.00 0.84 H new ATOM 0 HD21 ASN A 84 -27.110 -8.212 -4.771 1.00 1.32 H new ATOM 0 HD22 ASN A 84 -27.023 -9.463 -6.015 1.00 1.32 H new ATOM 1354 N GLU A 85 -27.513 -6.185 -10.687 1.00 0.59 N ATOM 1355 CA GLU A 85 -27.213 -5.701 -12.034 1.00 0.55 C ATOM 1356 C GLU A 85 -26.302 -4.466 -11.942 1.00 0.47 C ATOM 1357 O GLU A 85 -26.599 -3.507 -11.214 1.00 0.60 O ATOM 1358 CB GLU A 85 -28.551 -5.410 -12.777 1.00 0.70 C ATOM 1359 CG GLU A 85 -28.625 -3.998 -13.370 1.00 1.16 C ATOM 1360 CD GLU A 85 -29.853 -3.847 -14.258 1.00 1.18 C ATOM 1361 OE1 GLU A 85 -30.829 -4.604 -14.076 1.00 1.39 O ATOM 1362 OE2 GLU A 85 -29.845 -2.974 -15.146 1.00 1.43 O ATOM 0 H GLU A 85 -27.759 -5.449 -10.025 1.00 0.59 H new ATOM 0 HA GLU A 85 -26.675 -6.454 -12.610 1.00 0.55 H new ATOM 0 HB2 GLU A 85 -28.679 -6.139 -13.577 1.00 0.70 H new ATOM 0 HB3 GLU A 85 -29.380 -5.548 -12.083 1.00 0.70 H new ATOM 0 HG2 GLU A 85 -28.660 -3.263 -12.566 1.00 1.16 H new ATOM 0 HG3 GLU A 85 -27.725 -3.795 -13.950 1.00 1.16 H new ATOM 1369 N TYR A 86 -25.196 -4.498 -12.685 1.00 0.33 N ATOM 1370 CA TYR A 86 -24.227 -3.398 -12.707 1.00 0.31 C ATOM 1371 C TYR A 86 -23.814 -3.076 -14.147 1.00 0.29 C ATOM 1372 O TYR A 86 -23.793 -3.957 -15.011 1.00 0.40 O ATOM 1373 CB TYR A 86 -22.949 -3.754 -11.912 1.00 0.37 C ATOM 1374 CG TYR A 86 -23.150 -4.567 -10.641 1.00 0.41 C ATOM 1375 CD1 TYR A 86 -23.410 -3.932 -9.436 1.00 0.57 C ATOM 1376 CD2 TYR A 86 -23.029 -5.949 -10.672 1.00 0.53 C ATOM 1377 CE1 TYR A 86 -23.545 -4.671 -8.269 1.00 0.67 C ATOM 1378 CE2 TYR A 86 -23.173 -6.688 -9.505 1.00 0.62 C ATOM 1379 CZ TYR A 86 -23.427 -6.045 -8.308 1.00 0.63 C ATOM 1380 OH TYR A 86 -23.551 -6.782 -7.147 1.00 0.77 O ATOM 0 H TYR A 86 -24.945 -5.283 -13.287 1.00 0.33 H new ATOM 0 HA TYR A 86 -24.713 -2.537 -12.248 1.00 0.31 H new ATOM 0 HB2 TYR A 86 -22.280 -4.308 -12.570 1.00 0.37 H new ATOM 0 HB3 TYR A 86 -22.441 -2.827 -11.648 1.00 0.37 H new ATOM 0 HD1 TYR A 86 -23.508 -2.857 -9.405 1.00 0.57 H new ATOM 0 HD2 TYR A 86 -22.822 -6.451 -11.606 1.00 0.53 H new ATOM 0 HE1 TYR A 86 -23.742 -4.171 -7.332 1.00 0.67 H new ATOM 0 HE2 TYR A 86 -23.087 -7.764 -9.533 1.00 0.62 H new ATOM 0 HH TYR A 86 -23.442 -7.734 -7.351 1.00 0.77 H new ATOM 1390 N LEU A 87 -23.429 -1.822 -14.378 1.00 0.24 N ATOM 1391 CA LEU A 87 -22.946 -1.377 -15.686 1.00 0.23 C ATOM 1392 C LEU A 87 -21.422 -1.353 -15.634 1.00 0.22 C ATOM 1393 O LEU A 87 -20.844 -0.736 -14.730 1.00 0.32 O ATOM 1394 CB LEU A 87 -23.459 0.027 -16.023 1.00 0.26 C ATOM 1395 CG LEU A 87 -24.984 0.109 -16.030 1.00 0.34 C ATOM 1396 CD1 LEU A 87 -25.435 1.428 -16.649 1.00 0.35 C ATOM 1397 CD2 LEU A 87 -25.609 -1.069 -16.784 1.00 0.38 C ATOM 0 H LEU A 87 -23.442 -1.089 -13.669 1.00 0.24 H new ATOM 0 HA LEU A 87 -23.309 -2.059 -16.455 1.00 0.23 H new ATOM 0 HB2 LEU A 87 -23.064 0.738 -15.297 1.00 0.26 H new ATOM 0 HB3 LEU A 87 -23.078 0.324 -17.000 1.00 0.26 H new ATOM 0 HG LEU A 87 -25.325 0.060 -14.996 1.00 0.34 H new ATOM 0 HD11 LEU A 87 -26.524 1.476 -16.649 1.00 0.35 H new ATOM 0 HD12 LEU A 87 -25.035 2.258 -16.067 1.00 0.35 H new ATOM 0 HD13 LEU A 87 -25.069 1.493 -17.674 1.00 0.35 H new ATOM 0 HD21 LEU A 87 -26.695 -0.976 -16.768 1.00 0.38 H new ATOM 0 HD22 LEU A 87 -25.260 -1.066 -17.817 1.00 0.38 H new ATOM 0 HD23 LEU A 87 -25.317 -2.004 -16.305 1.00 0.38 H new ATOM 1409 N PHE A 88 -20.775 -2.028 -16.580 1.00 0.18 N ATOM 1410 CA PHE A 88 -19.311 -2.093 -16.630 1.00 0.19 C ATOM 1411 C PHE A 88 -18.793 -1.441 -17.905 1.00 0.20 C ATOM 1412 O PHE A 88 -19.168 -1.837 -19.008 1.00 0.27 O ATOM 1413 CB PHE A 88 -18.859 -3.549 -16.561 1.00 0.20 C ATOM 1414 CG PHE A 88 -18.914 -4.107 -15.160 1.00 0.20 C ATOM 1415 CD1 PHE A 88 -17.974 -3.724 -14.214 1.00 0.21 C ATOM 1416 CD2 PHE A 88 -19.904 -5.010 -14.818 1.00 0.24 C ATOM 1417 CE1 PHE A 88 -18.032 -4.242 -12.930 1.00 0.22 C ATOM 1418 CE2 PHE A 88 -19.963 -5.527 -13.538 1.00 0.25 C ATOM 1419 CZ PHE A 88 -19.003 -5.117 -12.580 1.00 0.22 C ATOM 0 H PHE A 88 -21.241 -2.542 -17.328 1.00 0.18 H new ATOM 0 HA PHE A 88 -18.903 -1.551 -15.777 1.00 0.19 H new ATOM 0 HB2 PHE A 88 -19.489 -4.153 -17.214 1.00 0.20 H new ATOM 0 HB3 PHE A 88 -17.840 -3.628 -16.940 1.00 0.20 H new ATOM 0 HD1 PHE A 88 -17.197 -3.022 -14.478 1.00 0.21 H new ATOM 0 HD2 PHE A 88 -20.634 -5.312 -15.554 1.00 0.24 H new ATOM 0 HE1 PHE A 88 -17.294 -3.944 -12.200 1.00 0.22 H new ATOM 0 HE2 PHE A 88 -20.733 -6.236 -13.271 1.00 0.25 H new ATOM 0 HZ PHE A 88 -19.046 -5.502 -11.572 1.00 0.22 H new ATOM 1429 N GLN A 89 -17.928 -0.442 -17.738 1.00 0.23 N ATOM 1430 CA GLN A 89 -17.333 0.291 -18.861 1.00 0.26 C ATOM 1431 C GLN A 89 -15.884 -0.152 -19.068 1.00 0.22 C ATOM 1432 O GLN A 89 -15.062 -0.065 -18.149 1.00 0.25 O ATOM 1433 CB GLN A 89 -17.386 1.801 -18.581 1.00 0.32 C ATOM 1434 CG GLN A 89 -16.853 2.637 -19.761 1.00 0.52 C ATOM 1435 CD GLN A 89 -15.712 3.549 -19.297 1.00 0.75 C ATOM 1436 OE1 GLN A 89 -15.947 4.564 -18.640 1.00 1.34 O ATOM 1437 NE2 GLN A 89 -14.482 3.205 -19.652 1.00 1.63 N ATOM 0 H GLN A 89 -17.618 -0.116 -16.822 1.00 0.23 H new ATOM 0 HA GLN A 89 -17.899 0.075 -19.767 1.00 0.26 H new ATOM 0 HB2 GLN A 89 -18.415 2.092 -18.368 1.00 0.32 H new ATOM 0 HB3 GLN A 89 -16.801 2.023 -17.689 1.00 0.32 H new ATOM 0 HG2 GLN A 89 -16.500 1.976 -20.553 1.00 0.52 H new ATOM 0 HG3 GLN A 89 -17.659 3.238 -20.183 1.00 0.52 H new ATOM 0 HE21 GLN A 89 -14.327 2.357 -20.196 1.00 1.63 H new ATOM 0 HE22 GLN A 89 -13.691 3.789 -19.381 1.00 1.63 H new ATOM 1446 N ALA A 90 -15.577 -0.599 -20.286 1.00 0.22 N ATOM 1447 CA ALA A 90 -14.224 -1.031 -20.649 1.00 0.24 C ATOM 1448 C ALA A 90 -13.430 0.169 -21.169 1.00 0.27 C ATOM 1449 O ALA A 90 -14.003 1.204 -21.518 1.00 0.32 O ATOM 1450 CB ALA A 90 -14.282 -2.127 -21.716 1.00 0.29 C ATOM 0 H ALA A 90 -16.254 -0.672 -21.046 1.00 0.22 H new ATOM 0 HA ALA A 90 -13.730 -1.437 -19.766 1.00 0.24 H new ATOM 0 HB1 ALA A 90 -13.270 -2.437 -21.975 1.00 0.29 H new ATOM 0 HB2 ALA A 90 -14.836 -2.983 -21.329 1.00 0.29 H new ATOM 0 HB3 ALA A 90 -14.782 -1.743 -22.605 1.00 0.29 H new ATOM 1456 N LYS A 91 -12.112 0.032 -21.212 1.00 0.35 N ATOM 1457 CA LYS A 91 -11.232 1.112 -21.679 1.00 0.44 C ATOM 1458 C LYS A 91 -10.937 0.987 -23.177 1.00 0.49 C ATOM 1459 O LYS A 91 -10.372 1.897 -23.787 1.00 0.68 O ATOM 1460 CB LYS A 91 -9.930 1.088 -20.878 1.00 0.65 C ATOM 1461 CG LYS A 91 -10.205 1.350 -19.397 1.00 1.26 C ATOM 1462 CD LYS A 91 -10.299 0.056 -18.579 1.00 1.43 C ATOM 1463 CE LYS A 91 -8.934 -0.610 -18.402 1.00 1.86 C ATOM 1464 NZ LYS A 91 -9.077 -2.014 -17.916 1.00 2.29 N ATOM 0 H LYS A 91 -11.621 -0.816 -20.930 1.00 0.35 H new ATOM 0 HA LYS A 91 -11.741 2.063 -21.523 1.00 0.44 H new ATOM 0 HB2 LYS A 91 -9.441 0.121 -20.997 1.00 0.65 H new ATOM 0 HB3 LYS A 91 -9.244 1.842 -21.265 1.00 0.65 H new ATOM 0 HG2 LYS A 91 -9.412 1.977 -18.989 1.00 1.26 H new ATOM 0 HG3 LYS A 91 -11.136 1.908 -19.297 1.00 1.26 H new ATOM 0 HD2 LYS A 91 -10.725 0.276 -17.600 1.00 1.43 H new ATOM 0 HD3 LYS A 91 -10.979 -0.637 -19.074 1.00 1.43 H new ATOM 0 HE2 LYS A 91 -8.398 -0.604 -19.351 1.00 1.86 H new ATOM 0 HE3 LYS A 91 -8.336 -0.037 -17.694 1.00 1.86 H new ATOM 0 HZ1 LYS A 91 -8.233 -2.280 -17.370 1.00 2.29 H new ATOM 0 HZ2 LYS A 91 -9.919 -2.088 -17.310 1.00 2.29 H new ATOM 0 HZ3 LYS A 91 -9.179 -2.654 -18.729 1.00 2.29 H new ATOM 1478 N ASP A 92 -11.321 -0.145 -23.757 1.00 0.49 N ATOM 1479 CA ASP A 92 -11.105 -0.408 -25.188 1.00 0.66 C ATOM 1480 C ASP A 92 -12.135 -1.406 -25.720 1.00 0.59 C ATOM 1481 O ASP A 92 -12.660 -2.236 -24.968 1.00 0.75 O ATOM 1482 CB ASP A 92 -9.683 -0.947 -25.413 1.00 0.84 C ATOM 1483 CG ASP A 92 -9.299 -0.853 -26.885 1.00 1.34 C ATOM 1484 OD1 ASP A 92 -8.856 0.229 -27.319 1.00 1.77 O ATOM 1485 OD2 ASP A 92 -9.433 -1.864 -27.605 1.00 2.01 O ATOM 0 H ASP A 92 -11.787 -0.904 -23.260 1.00 0.49 H new ATOM 0 HA ASP A 92 -11.224 0.529 -25.732 1.00 0.66 H new ATOM 0 HB2 ASP A 92 -8.974 -0.380 -24.810 1.00 0.84 H new ATOM 0 HB3 ASP A 92 -9.625 -1.984 -25.082 1.00 0.84 H new ATOM 1490 N ASP A 93 -12.406 -1.325 -27.028 1.00 0.62 N ATOM 1491 CA ASP A 93 -13.366 -2.220 -27.702 1.00 0.63 C ATOM 1492 C ASP A 93 -12.911 -3.682 -27.599 1.00 0.49 C ATOM 1493 O ASP A 93 -13.720 -4.576 -27.336 1.00 0.54 O ATOM 1494 CB ASP A 93 -13.509 -1.818 -29.182 1.00 0.83 C ATOM 1495 CG ASP A 93 -14.820 -2.345 -29.772 1.00 1.55 C ATOM 1496 OD1 ASP A 93 -14.849 -3.502 -30.238 1.00 2.13 O ATOM 1497 OD2 ASP A 93 -15.820 -1.599 -29.789 1.00 2.21 O ATOM 0 H ASP A 93 -11.971 -0.643 -27.650 1.00 0.62 H new ATOM 0 HA ASP A 93 -14.333 -2.124 -27.208 1.00 0.63 H new ATOM 0 HB2 ASP A 93 -13.477 -0.732 -29.272 1.00 0.83 H new ATOM 0 HB3 ASP A 93 -12.667 -2.210 -29.752 1.00 0.83 H new ATOM 1502 N GLU A 94 -11.602 -3.914 -27.779 1.00 0.41 N ATOM 1503 CA GLU A 94 -11.022 -5.261 -27.683 1.00 0.41 C ATOM 1504 C GLU A 94 -11.200 -5.806 -26.264 1.00 0.36 C ATOM 1505 O GLU A 94 -11.566 -6.966 -26.071 1.00 0.41 O ATOM 1506 CB GLU A 94 -9.534 -5.220 -28.043 1.00 0.49 C ATOM 1507 CG GLU A 94 -9.307 -4.734 -29.478 1.00 1.21 C ATOM 1508 CD GLU A 94 -7.816 -4.649 -29.781 1.00 1.93 C ATOM 1509 OE1 GLU A 94 -7.022 -4.403 -28.849 1.00 2.43 O ATOM 1510 OE2 GLU A 94 -7.433 -4.838 -30.950 1.00 2.59 O ATOM 0 H GLU A 94 -10.923 -3.183 -27.993 1.00 0.41 H new ATOM 0 HA GLU A 94 -11.537 -5.918 -28.384 1.00 0.41 H new ATOM 0 HB2 GLU A 94 -9.011 -4.562 -27.350 1.00 0.49 H new ATOM 0 HB3 GLU A 94 -9.104 -6.215 -27.924 1.00 0.49 H new ATOM 0 HG2 GLU A 94 -9.789 -5.415 -30.180 1.00 1.21 H new ATOM 0 HG3 GLU A 94 -9.769 -3.756 -29.615 1.00 1.21 H new ATOM 1517 N GLU A 95 -10.964 -4.940 -25.276 1.00 0.31 N ATOM 1518 CA GLU A 95 -11.112 -5.298 -23.861 1.00 0.29 C ATOM 1519 C GLU A 95 -12.567 -5.670 -23.558 1.00 0.24 C ATOM 1520 O GLU A 95 -12.834 -6.673 -22.895 1.00 0.23 O ATOM 1521 CB GLU A 95 -10.670 -4.123 -22.978 1.00 0.33 C ATOM 1522 CG GLU A 95 -10.175 -4.598 -21.603 1.00 0.42 C ATOM 1523 CD GLU A 95 -10.395 -3.525 -20.542 1.00 0.84 C ATOM 1524 OE1 GLU A 95 -10.659 -2.366 -20.916 1.00 1.21 O ATOM 1525 OE2 GLU A 95 -10.319 -3.839 -19.335 1.00 1.30 O ATOM 0 H GLU A 95 -10.667 -3.977 -25.431 1.00 0.31 H new ATOM 0 HA GLU A 95 -10.481 -6.160 -23.646 1.00 0.29 H new ATOM 0 HB2 GLU A 95 -9.876 -3.570 -23.479 1.00 0.33 H new ATOM 0 HB3 GLU A 95 -11.504 -3.434 -22.846 1.00 0.33 H new ATOM 0 HG2 GLU A 95 -10.701 -5.509 -21.318 1.00 0.42 H new ATOM 0 HG3 GLU A 95 -9.115 -4.846 -21.660 1.00 0.42 H new ATOM 1532 N MET A 96 -13.499 -4.859 -24.067 1.00 0.24 N ATOM 1533 CA MET A 96 -14.940 -5.081 -23.879 1.00 0.22 C ATOM 1534 C MET A 96 -15.352 -6.469 -24.385 1.00 0.22 C ATOM 1535 O MET A 96 -16.041 -7.210 -23.689 1.00 0.23 O ATOM 1536 CB MET A 96 -15.727 -3.994 -24.621 1.00 0.26 C ATOM 1537 CG MET A 96 -17.190 -3.916 -24.164 1.00 0.39 C ATOM 1538 SD MET A 96 -18.262 -3.163 -25.406 1.00 0.94 S ATOM 1539 CE MET A 96 -18.136 -4.351 -26.755 1.00 0.77 C ATOM 0 H MET A 96 -13.279 -4.031 -24.620 1.00 0.24 H new ATOM 0 HA MET A 96 -15.164 -5.030 -22.814 1.00 0.22 H new ATOM 0 HB2 MET A 96 -15.247 -3.028 -24.461 1.00 0.26 H new ATOM 0 HB3 MET A 96 -15.694 -4.193 -25.692 1.00 0.26 H new ATOM 0 HG2 MET A 96 -17.551 -4.919 -23.937 1.00 0.39 H new ATOM 0 HG3 MET A 96 -17.249 -3.340 -23.240 1.00 0.39 H new ATOM 0 HE1 MET A 96 -19.011 -4.264 -27.399 1.00 0.77 H new ATOM 0 HE2 MET A 96 -17.236 -4.148 -27.335 1.00 0.77 H new ATOM 0 HE3 MET A 96 -18.085 -5.361 -26.347 1.00 0.77 H new ATOM 1549 N ASN A 97 -14.911 -6.816 -25.597 1.00 0.25 N ATOM 1550 CA ASN A 97 -15.228 -8.117 -26.199 1.00 0.28 C ATOM 1551 C ASN A 97 -14.618 -9.258 -25.366 1.00 0.26 C ATOM 1552 O ASN A 97 -15.268 -10.273 -25.119 1.00 0.29 O ATOM 1553 CB ASN A 97 -14.708 -8.160 -27.648 1.00 0.35 C ATOM 1554 CG ASN A 97 -15.564 -9.089 -28.521 1.00 0.49 C ATOM 1555 OD1 ASN A 97 -15.921 -10.196 -28.112 1.00 1.05 O ATOM 1556 ND2 ASN A 97 -15.890 -8.645 -29.726 1.00 1.24 N ATOM 0 H ASN A 97 -14.332 -6.214 -26.183 1.00 0.25 H new ATOM 0 HA ASN A 97 -16.310 -8.250 -26.211 1.00 0.28 H new ATOM 0 HB2 ASN A 97 -14.714 -7.154 -28.069 1.00 0.35 H new ATOM 0 HB3 ASN A 97 -13.673 -8.502 -27.655 1.00 0.35 H new ATOM 0 HD21 ASN A 97 -16.454 -9.225 -30.348 1.00 1.24 H new ATOM 0 HD22 ASN A 97 -15.577 -7.724 -30.032 1.00 1.24 H new ATOM 1563 N THR A 98 -13.374 -9.068 -24.915 1.00 0.25 N ATOM 1564 CA THR A 98 -12.669 -10.066 -24.093 1.00 0.27 C ATOM 1565 C THR A 98 -13.385 -10.282 -22.745 1.00 0.23 C ATOM 1566 O THR A 98 -13.498 -11.418 -22.272 1.00 0.27 O ATOM 1567 CB THR A 98 -11.212 -9.618 -23.869 1.00 0.31 C ATOM 1568 OG1 THR A 98 -10.631 -9.221 -25.104 1.00 0.38 O ATOM 1569 CG2 THR A 98 -10.366 -10.735 -23.247 1.00 0.39 C ATOM 0 H THR A 98 -12.829 -8.227 -25.105 1.00 0.25 H new ATOM 0 HA THR A 98 -12.672 -11.018 -24.624 1.00 0.27 H new ATOM 0 HB THR A 98 -11.229 -8.776 -23.177 1.00 0.31 H new ATOM 0 HG1 THR A 98 -10.777 -8.262 -25.241 1.00 0.38 H new ATOM 0 HG21 THR A 98 -9.345 -10.381 -23.104 1.00 0.39 H new ATOM 0 HG22 THR A 98 -10.790 -11.019 -22.284 1.00 0.39 H new ATOM 0 HG23 THR A 98 -10.361 -11.600 -23.910 1.00 0.39 H new ATOM 1577 N TRP A 99 -13.879 -9.193 -22.142 1.00 0.20 N ATOM 1578 CA TRP A 99 -14.597 -9.257 -20.859 1.00 0.20 C ATOM 1579 C TRP A 99 -15.901 -10.051 -21.013 1.00 0.21 C ATOM 1580 O TRP A 99 -16.178 -10.964 -20.231 1.00 0.24 O ATOM 1581 CB TRP A 99 -14.900 -7.834 -20.341 1.00 0.21 C ATOM 1582 CG TRP A 99 -13.809 -7.267 -19.475 1.00 0.22 C ATOM 1583 CD1 TRP A 99 -13.001 -6.197 -19.758 1.00 0.26 C ATOM 1584 CD2 TRP A 99 -13.412 -7.739 -18.170 1.00 0.22 C ATOM 1585 NE1 TRP A 99 -12.139 -6.006 -18.716 1.00 0.28 N ATOM 1586 CE2 TRP A 99 -12.362 -6.920 -17.730 1.00 0.26 C ATOM 1587 CE3 TRP A 99 -13.845 -8.775 -17.335 1.00 0.23 C ATOM 1588 CZ2 TRP A 99 -11.748 -7.107 -16.500 1.00 0.28 C ATOM 1589 CZ3 TRP A 99 -13.234 -8.967 -16.102 1.00 0.26 C ATOM 1590 CH2 TRP A 99 -12.196 -8.140 -15.690 1.00 0.29 C ATOM 0 H TRP A 99 -13.795 -8.251 -22.524 1.00 0.20 H new ATOM 0 HA TRP A 99 -13.962 -9.766 -20.134 1.00 0.20 H new ATOM 0 HB2 TRP A 99 -15.059 -7.172 -21.192 1.00 0.21 H new ATOM 0 HB3 TRP A 99 -15.831 -7.853 -19.774 1.00 0.21 H new ATOM 0 HD1 TRP A 99 -13.040 -5.602 -20.658 1.00 0.26 H new ATOM 0 HE1 TRP A 99 -11.425 -5.278 -18.681 1.00 0.28 H new ATOM 0 HE3 TRP A 99 -14.651 -9.423 -17.648 1.00 0.23 H new ATOM 0 HZ2 TRP A 99 -10.941 -6.464 -16.181 1.00 0.28 H new ATOM 0 HZ3 TRP A 99 -13.569 -9.766 -15.458 1.00 0.26 H new ATOM 0 HH2 TRP A 99 -11.733 -8.303 -14.728 1.00 0.29 H new ATOM 1601 N ILE A 100 -16.689 -9.702 -22.034 1.00 0.21 N ATOM 1602 CA ILE A 100 -17.966 -10.377 -22.313 1.00 0.24 C ATOM 1603 C ILE A 100 -17.736 -11.866 -22.630 1.00 0.28 C ATOM 1604 O ILE A 100 -18.506 -12.724 -22.192 1.00 0.34 O ATOM 1605 CB ILE A 100 -18.700 -9.668 -23.467 1.00 0.25 C ATOM 1606 CG1 ILE A 100 -19.091 -8.242 -23.043 1.00 0.25 C ATOM 1607 CG2 ILE A 100 -19.943 -10.457 -23.902 1.00 0.30 C ATOM 1608 CD1 ILE A 100 -19.828 -7.499 -24.152 1.00 0.29 C ATOM 0 H ILE A 100 -16.465 -8.951 -22.687 1.00 0.21 H new ATOM 0 HA ILE A 100 -18.594 -10.321 -21.424 1.00 0.24 H new ATOM 0 HB ILE A 100 -18.024 -9.614 -24.320 1.00 0.25 H new ATOM 0 HG12 ILE A 100 -19.722 -8.288 -22.156 1.00 0.25 H new ATOM 0 HG13 ILE A 100 -18.194 -7.687 -22.768 1.00 0.25 H new ATOM 0 HG21 ILE A 100 -20.440 -9.932 -24.718 1.00 0.30 H new ATOM 0 HG22 ILE A 100 -19.644 -11.450 -24.238 1.00 0.30 H new ATOM 0 HG23 ILE A 100 -20.628 -10.550 -23.059 1.00 0.30 H new ATOM 0 HD11 ILE A 100 -20.085 -6.497 -23.810 1.00 0.29 H new ATOM 0 HD12 ILE A 100 -19.187 -7.429 -25.031 1.00 0.29 H new ATOM 0 HD13 ILE A 100 -20.739 -8.039 -24.409 1.00 0.29 H new ATOM 1620 N GLN A 101 -16.660 -12.170 -23.366 1.00 0.29 N ATOM 1621 CA GLN A 101 -16.312 -13.558 -23.712 1.00 0.35 C ATOM 1622 C GLN A 101 -15.937 -14.349 -22.453 1.00 0.36 C ATOM 1623 O GLN A 101 -16.356 -15.493 -22.287 1.00 0.43 O ATOM 1624 CB GLN A 101 -15.147 -13.585 -24.710 1.00 0.40 C ATOM 1625 CG GLN A 101 -15.634 -13.306 -26.131 1.00 0.48 C ATOM 1626 CD GLN A 101 -14.475 -13.391 -27.119 1.00 1.05 C ATOM 1627 OE1 GLN A 101 -13.784 -14.407 -27.198 1.00 1.81 O ATOM 1628 NE2 GLN A 101 -14.264 -12.329 -27.873 1.00 1.76 N ATOM 0 H GLN A 101 -16.013 -11.473 -23.735 1.00 0.29 H new ATOM 0 HA GLN A 101 -17.184 -14.023 -24.173 1.00 0.35 H new ATOM 0 HB2 GLN A 101 -14.402 -12.842 -24.425 1.00 0.40 H new ATOM 0 HB3 GLN A 101 -14.656 -14.558 -24.675 1.00 0.40 H new ATOM 0 HG2 GLN A 101 -16.406 -14.025 -26.405 1.00 0.48 H new ATOM 0 HG3 GLN A 101 -16.088 -12.316 -26.178 1.00 0.48 H new ATOM 0 HE21 GLN A 101 -14.861 -11.507 -27.775 1.00 1.76 H new ATOM 0 HE22 GLN A 101 -13.504 -12.330 -28.554 1.00 1.76 H new ATOM 1637 N ALA A 102 -15.166 -13.724 -21.555 1.00 0.32 N ATOM 1638 CA ALA A 102 -14.752 -14.363 -20.296 1.00 0.37 C ATOM 1639 C ALA A 102 -15.974 -14.661 -19.423 1.00 0.38 C ATOM 1640 O ALA A 102 -16.100 -15.750 -18.868 1.00 0.48 O ATOM 1641 CB ALA A 102 -13.774 -13.454 -19.542 1.00 0.38 C ATOM 0 H ALA A 102 -14.815 -12.774 -21.676 1.00 0.32 H new ATOM 0 HA ALA A 102 -14.253 -15.304 -20.529 1.00 0.37 H new ATOM 0 HB1 ALA A 102 -13.473 -13.936 -18.612 1.00 0.38 H new ATOM 0 HB2 ALA A 102 -12.894 -13.276 -20.159 1.00 0.38 H new ATOM 0 HB3 ALA A 102 -14.259 -12.504 -19.318 1.00 0.38 H new ATOM 1647 N ILE A 103 -16.884 -13.687 -19.332 1.00 0.33 N ATOM 1648 CA ILE A 103 -18.119 -13.828 -18.547 1.00 0.38 C ATOM 1649 C ILE A 103 -19.014 -14.932 -19.137 1.00 0.47 C ATOM 1650 O ILE A 103 -19.694 -15.647 -18.399 1.00 0.55 O ATOM 1651 CB ILE A 103 -18.850 -12.469 -18.509 1.00 0.37 C ATOM 1652 CG1 ILE A 103 -18.134 -11.510 -17.547 1.00 0.35 C ATOM 1653 CG2 ILE A 103 -20.331 -12.612 -18.111 1.00 0.49 C ATOM 1654 CD1 ILE A 103 -18.352 -10.048 -17.940 1.00 0.35 C ATOM 0 H ILE A 103 -16.789 -12.784 -19.796 1.00 0.33 H new ATOM 0 HA ILE A 103 -17.873 -14.124 -17.527 1.00 0.38 H new ATOM 0 HB ILE A 103 -18.825 -12.060 -19.519 1.00 0.37 H new ATOM 0 HG12 ILE A 103 -18.499 -11.673 -16.533 1.00 0.35 H new ATOM 0 HG13 ILE A 103 -17.066 -11.730 -17.541 1.00 0.35 H new ATOM 0 HG21 ILE A 103 -20.801 -11.629 -18.099 1.00 0.49 H new ATOM 0 HG22 ILE A 103 -20.842 -13.249 -18.833 1.00 0.49 H new ATOM 0 HG23 ILE A 103 -20.400 -13.059 -17.119 1.00 0.49 H new ATOM 0 HD11 ILE A 103 -17.830 -9.400 -17.236 1.00 0.35 H new ATOM 0 HD12 ILE A 103 -17.964 -9.879 -18.944 1.00 0.35 H new ATOM 0 HD13 ILE A 103 -19.418 -9.821 -17.920 1.00 0.35 H new ATOM 1666 N SER A 104 -18.992 -15.081 -20.465 1.00 0.53 N ATOM 1667 CA SER A 104 -19.785 -16.111 -21.148 1.00 0.66 C ATOM 1668 C SER A 104 -19.162 -17.502 -20.942 1.00 0.72 C ATOM 1669 O SER A 104 -19.860 -18.517 -20.994 1.00 0.89 O ATOM 1670 CB SER A 104 -19.867 -15.789 -22.643 1.00 0.81 C ATOM 1671 OG SER A 104 -20.424 -14.495 -22.851 1.00 1.05 O ATOM 0 H SER A 104 -18.433 -14.501 -21.091 1.00 0.53 H new ATOM 0 HA SER A 104 -20.789 -16.119 -20.723 1.00 0.66 H new ATOM 0 HB2 SER A 104 -18.872 -15.837 -23.085 1.00 0.81 H new ATOM 0 HB3 SER A 104 -20.477 -16.538 -23.148 1.00 0.81 H new ATOM 0 HG SER A 104 -19.713 -13.822 -22.809 1.00 1.05 H new ATOM 1677 N SER A 105 -17.846 -17.540 -20.713 1.00 0.80 N ATOM 1678 CA SER A 105 -17.121 -18.794 -20.506 1.00 1.13 C ATOM 1679 C SER A 105 -17.223 -19.259 -19.046 1.00 1.23 C ATOM 1680 O SER A 105 -17.867 -20.270 -18.761 1.00 1.61 O ATOM 1681 CB SER A 105 -15.656 -18.624 -20.923 1.00 1.48 C ATOM 1682 OG SER A 105 -15.564 -18.353 -22.319 1.00 1.63 O ATOM 0 H SER A 105 -17.258 -16.708 -20.666 1.00 0.80 H new ATOM 0 HA SER A 105 -17.577 -19.564 -21.128 1.00 1.13 H new ATOM 0 HB2 SER A 105 -15.203 -17.810 -20.358 1.00 1.48 H new ATOM 0 HB3 SER A 105 -15.096 -19.528 -20.684 1.00 1.48 H new ATOM 0 HG SER A 105 -15.803 -17.418 -22.487 1.00 1.63 H new ATOM 1688 N ALA A 106 -16.603 -18.523 -18.118 1.00 1.29 N ATOM 1689 CA ALA A 106 -16.637 -18.885 -16.697 1.00 1.59 C ATOM 1690 C ALA A 106 -16.001 -17.786 -15.852 1.00 2.40 C ATOM 1691 O ALA A 106 -15.043 -17.147 -16.329 1.00 3.00 O ATOM 1692 CB ALA A 106 -15.883 -20.200 -16.465 1.00 1.90 C ATOM 1693 OXT ALA A 106 -16.438 -17.590 -14.704 1.00 3.05 O ATOM 0 H ALA A 106 -16.073 -17.676 -18.324 1.00 1.29 H new ATOM 0 HA ALA A 106 -17.679 -19.008 -16.402 1.00 1.59 H new ATOM 0 HB1 ALA A 106 -15.916 -20.457 -15.406 1.00 1.90 H new ATOM 0 HB2 ALA A 106 -16.351 -20.995 -17.046 1.00 1.90 H new ATOM 0 HB3 ALA A 106 -14.845 -20.084 -16.778 1.00 1.90 H new TER 1699 ALA A 106