USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 939 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 99 THR OG1 : rot -66:sc= 1.23 USER MOD Set 1.2: A 103 GLN : amide:sc= 0.28 K(o=1.5,f=-0.8) USER MOD Set 2.1: A 58 MET CE :methyl -145:sc= -1.2 (180deg=-3.05) USER MOD Set 2.2: A 61 THR OG1 : rot -92:sc= 1.11 USER MOD Set 3.1: A 57 HIS :FLIP no HD1:sc= -0.031 F(o=-0.92,f=-0.2) USER MOD Set 3.2: A 59 ASN :FLIP amide:sc= -0.164 F(o=-3.9!,f=-0.2) USER MOD Set 4.1: A 41 HIS :FLIP no HD1:sc= -3.81! F(o=-4.6,f=-4!) USER MOD Set 4.2: A 43 ASN : amide:sc= -0.183 K(o=-4,f=-6.5!) USER MOD Set 5.1: A 16 MET CE :methyl -145:sc= -2.05 (180deg=-2.28) USER MOD Set 5.2: A 20 SER OG : rot 97:sc= 0.1 USER MOD Set 5.3: A 62 GLN : amide:sc= -1.07 K(o=-3,f=-8.7!) USER MOD Set 6.1: A 11 ASN : amide:sc= 0.0984 K(o=-0.52,f=-3.9!) USER MOD Set 6.2: A 13 GLN : amide:sc= -0.615 K(o=-0.52,f=-2!) USER MOD Set 7.1: A 1 GLY N :NH3+ -178:sc= 0.821 (180deg=-0.312) USER MOD Set 7.2: A 4 GLN : amide:sc= -0.208 K(o=0.61,f=-11!) USER MOD Single : A 2 GLN : amide:sc= 1.02 K(o=1,f=-0.094) USER MOD Single : A 9 SER OG : rot -21:sc= 1.59 USER MOD Single : A 14 GLN : amide:sc= -0.0083 X(o=-0.0083,f=-0.0083) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 THR OG1 : rot 45:sc= 0.294 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -3.81! C(o=-3.8!,f=-7.1!) USER MOD Single : A 46 TYR OH : rot -75:sc= 0.259 USER MOD Single : A 47 ASN : amide:sc= -1.38 K(o=-1.4,f=-2.1) USER MOD Single : A 49 TYR OH : rot -120:sc= 0.0186 USER MOD Single : A 51 SER OG : rot -56:sc= 1.22 USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 HIS :FLIP no HD1:sc= -1.95 F(o=-3.5!,f=-1.9) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -74:sc= 0.856 USER MOD Single : A 70 THR OG1 : rot 62:sc= 0.0291 USER MOD Single : A 71 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0186) USER MOD Single : A 79 CYS SG : rot 40:sc= -2.04 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot -42:sc= 1.19 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 TYR OH : rot -148:sc= -0.59 USER MOD Single : A 108 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.109) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.059) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.191 26.426 5.250 1.00 0.00 N ATOM 2 CA GLY A 1 -1.544 26.739 5.660 1.00 0.00 C ATOM 3 C GLY A 1 -2.514 26.362 4.587 1.00 0.00 C ATOM 4 O GLY A 1 -3.729 26.410 4.768 1.00 0.00 O ATOM 0 H1 GLY A 1 0.468 26.662 6.019 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.120 25.411 5.032 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.052 26.979 4.404 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.784 26.206 6.580 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.628 27.804 5.877 1.00 0.00 H new ATOM 8 N GLN A 2 -1.976 25.959 3.419 1.00 0.00 N ATOM 9 CA GLN A 2 -2.718 25.478 2.261 1.00 0.00 C ATOM 10 C GLN A 2 -1.818 24.467 1.590 1.00 0.00 C ATOM 11 O GLN A 2 -2.040 23.261 1.646 1.00 0.00 O ATOM 12 CB GLN A 2 -3.134 26.580 1.225 1.00 0.00 C ATOM 13 CG GLN A 2 -4.277 27.538 1.663 1.00 0.00 C ATOM 14 CD GLN A 2 -5.626 26.830 1.837 1.00 0.00 C ATOM 15 OE1 GLN A 2 -6.420 26.727 0.900 1.00 0.00 O ATOM 16 NE2 GLN A 2 -5.905 26.349 3.072 1.00 0.00 N ATOM 0 H GLN A 2 -0.968 25.964 3.261 1.00 0.00 H new ATOM 0 HA GLN A 2 -3.666 25.068 2.611 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -2.255 27.180 0.992 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -3.436 26.086 0.302 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -4.001 28.016 2.603 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -4.383 28.330 0.921 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -5.225 26.451 3.825 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -6.796 25.884 3.249 1.00 0.00 H new ATOM 25 N ARG A 3 -0.753 24.966 0.921 1.00 0.00 N ATOM 26 CA ARG A 3 0.183 24.154 0.173 1.00 0.00 C ATOM 27 C ARG A 3 1.601 24.581 0.503 1.00 0.00 C ATOM 28 O ARG A 3 2.230 25.340 -0.226 1.00 0.00 O ATOM 29 CB ARG A 3 -0.169 24.233 -1.344 1.00 0.00 C ATOM 30 CG ARG A 3 -0.018 22.951 -2.176 1.00 0.00 C ATOM 31 CD ARG A 3 -0.948 21.778 -1.829 1.00 0.00 C ATOM 32 NE ARG A 3 -0.514 21.047 -0.581 1.00 0.00 N ATOM 33 CZ ARG A 3 0.493 20.119 -0.534 1.00 0.00 C ATOM 34 NH1 ARG A 3 1.126 19.703 -1.668 1.00 0.00 N ATOM 35 NH2 ARG A 3 0.872 19.607 0.675 1.00 0.00 N ATOM 0 H ARG A 3 -0.533 25.962 0.897 1.00 0.00 H new ATOM 0 HA ARG A 3 0.110 23.103 0.454 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -1.201 24.571 -1.432 1.00 0.00 H new ATOM 0 HB3 ARG A 3 0.458 25.002 -1.795 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -0.174 23.207 -3.224 1.00 0.00 H new ATOM 0 HG3 ARG A 3 1.012 22.606 -2.082 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -1.963 22.151 -1.693 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -0.974 21.079 -2.665 1.00 0.00 H new ATOM 0 HE ARG A 3 -1.005 21.259 0.288 1.00 0.00 H new ATOM 0 HH11 ARG A 3 0.852 20.084 -2.574 1.00 0.00 H new ATOM 0 HH12 ARG A 3 1.873 19.011 -1.610 1.00 0.00 H new ATOM 0 HH21 ARG A 3 0.407 19.916 1.528 1.00 0.00 H new ATOM 0 HH22 ARG A 3 1.620 18.916 0.724 1.00 0.00 H new ATOM 49 N GLN A 4 2.145 24.080 1.645 1.00 0.00 N ATOM 50 CA GLN A 4 3.498 24.354 2.135 1.00 0.00 C ATOM 51 C GLN A 4 4.460 23.221 1.879 1.00 0.00 C ATOM 52 O GLN A 4 5.666 23.334 2.095 1.00 0.00 O ATOM 53 CB GLN A 4 3.544 24.716 3.643 1.00 0.00 C ATOM 54 CG GLN A 4 3.173 23.644 4.704 1.00 0.00 C ATOM 55 CD GLN A 4 1.745 23.111 4.573 1.00 0.00 C ATOM 56 OE1 GLN A 4 0.768 23.850 4.718 1.00 0.00 O ATOM 57 NE2 GLN A 4 1.629 21.790 4.274 1.00 0.00 N ATOM 0 H GLN A 4 1.625 23.455 2.261 1.00 0.00 H new ATOM 0 HA GLN A 4 3.814 25.223 1.558 1.00 0.00 H new ATOM 0 HB2 GLN A 4 4.555 25.058 3.865 1.00 0.00 H new ATOM 0 HB3 GLN A 4 2.880 25.567 3.794 1.00 0.00 H new ATOM 0 HG2 GLN A 4 3.870 22.810 4.623 1.00 0.00 H new ATOM 0 HG3 GLN A 4 3.301 24.072 5.698 1.00 0.00 H new ATOM 0 HE21 GLN A 4 2.465 21.217 4.163 1.00 0.00 H new ATOM 0 HE22 GLN A 4 0.706 21.372 4.160 1.00 0.00 H new ATOM 66 N LEU A 5 3.920 22.057 1.434 1.00 0.00 N ATOM 67 CA LEU A 5 4.573 20.809 1.038 1.00 0.00 C ATOM 68 C LEU A 5 5.105 20.017 2.223 1.00 0.00 C ATOM 69 O LEU A 5 4.731 18.870 2.450 1.00 0.00 O ATOM 70 CB LEU A 5 5.639 20.941 -0.095 1.00 0.00 C ATOM 71 CG LEU A 5 5.366 21.996 -1.204 1.00 0.00 C ATOM 72 CD1 LEU A 5 6.296 21.730 -2.397 1.00 0.00 C ATOM 73 CD2 LEU A 5 3.902 22.119 -1.672 1.00 0.00 C ATOM 0 H LEU A 5 2.908 21.975 1.338 1.00 0.00 H new ATOM 0 HA LEU A 5 3.763 20.233 0.591 1.00 0.00 H new ATOM 0 HB2 LEU A 5 6.597 21.177 0.368 1.00 0.00 H new ATOM 0 HB3 LEU A 5 5.747 19.967 -0.573 1.00 0.00 H new ATOM 0 HG LEU A 5 5.577 22.962 -0.745 1.00 0.00 H new ATOM 0 HD11 LEU A 5 6.108 22.468 -3.177 1.00 0.00 H new ATOM 0 HD12 LEU A 5 7.334 21.802 -2.072 1.00 0.00 H new ATOM 0 HD13 LEU A 5 6.107 20.731 -2.790 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.830 22.883 -2.446 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.567 21.163 -2.074 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.272 22.398 -0.827 1.00 0.00 H new ATOM 85 N LEU A 6 5.973 20.708 3.000 1.00 0.00 N ATOM 86 CA LEU A 6 6.627 20.347 4.237 1.00 0.00 C ATOM 87 C LEU A 6 7.818 19.401 4.054 1.00 0.00 C ATOM 88 O LEU A 6 8.438 19.321 2.997 1.00 0.00 O ATOM 89 CB LEU A 6 5.629 19.922 5.337 1.00 0.00 C ATOM 90 CG LEU A 6 5.964 20.244 6.820 1.00 0.00 C ATOM 91 CD1 LEU A 6 6.975 21.380 7.070 1.00 0.00 C ATOM 92 CD2 LEU A 6 4.652 20.618 7.517 1.00 0.00 C ATOM 0 H LEU A 6 6.252 21.648 2.719 1.00 0.00 H new ATOM 0 HA LEU A 6 7.084 21.262 4.612 1.00 0.00 H new ATOM 0 HB2 LEU A 6 4.669 20.385 5.108 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.490 18.844 5.257 1.00 0.00 H new ATOM 0 HG LEU A 6 6.446 19.348 7.210 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.123 21.506 8.143 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.926 21.131 6.599 1.00 0.00 H new ATOM 0 HD13 LEU A 6 6.592 22.308 6.645 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.849 20.851 8.563 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.215 21.488 7.028 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.957 19.781 7.457 1.00 0.00 H new ATOM 104 N LEU A 7 8.137 18.626 5.112 1.00 0.00 N ATOM 105 CA LEU A 7 9.167 17.598 5.128 1.00 0.00 C ATOM 106 C LEU A 7 8.539 16.270 5.434 1.00 0.00 C ATOM 107 O LEU A 7 9.235 15.283 5.684 1.00 0.00 O ATOM 108 CB LEU A 7 10.272 17.887 6.183 1.00 0.00 C ATOM 109 CG LEU A 7 10.940 19.273 6.078 1.00 0.00 C ATOM 110 CD1 LEU A 7 11.899 19.460 7.266 1.00 0.00 C ATOM 111 CD2 LEU A 7 11.664 19.474 4.737 1.00 0.00 C ATOM 0 H LEU A 7 7.657 18.713 6.008 1.00 0.00 H new ATOM 0 HA LEU A 7 9.636 17.590 4.144 1.00 0.00 H new ATOM 0 HB2 LEU A 7 9.837 17.787 7.177 1.00 0.00 H new ATOM 0 HB3 LEU A 7 11.044 17.123 6.094 1.00 0.00 H new ATOM 0 HG LEU A 7 10.161 20.034 6.116 1.00 0.00 H new ATOM 0 HD11 LEU A 7 12.375 20.438 7.199 1.00 0.00 H new ATOM 0 HD12 LEU A 7 11.340 19.392 8.199 1.00 0.00 H new ATOM 0 HD13 LEU A 7 12.662 18.682 7.243 1.00 0.00 H new ATOM 0 HD21 LEU A 7 12.117 20.465 4.713 1.00 0.00 H new ATOM 0 HD22 LEU A 7 12.440 18.717 4.626 1.00 0.00 H new ATOM 0 HD23 LEU A 7 10.948 19.383 3.920 1.00 0.00 H new ATOM 123 N ALA A 8 7.176 16.223 5.418 1.00 0.00 N ATOM 124 CA ALA A 8 6.349 15.038 5.594 1.00 0.00 C ATOM 125 C ALA A 8 6.354 14.382 6.986 1.00 0.00 C ATOM 126 O ALA A 8 5.336 14.291 7.668 1.00 0.00 O ATOM 127 CB ALA A 8 6.692 14.072 4.440 1.00 0.00 C ATOM 0 H ALA A 8 6.616 17.063 5.273 1.00 0.00 H new ATOM 0 HA ALA A 8 5.306 15.351 5.547 1.00 0.00 H new ATOM 0 HB1 ALA A 8 6.092 13.166 4.533 1.00 0.00 H new ATOM 0 HB2 ALA A 8 6.476 14.553 3.486 1.00 0.00 H new ATOM 0 HB3 ALA A 8 7.750 13.813 4.485 1.00 0.00 H new ATOM 133 N SER A 9 7.552 13.933 7.436 1.00 0.00 N ATOM 134 CA SER A 9 7.891 13.296 8.707 1.00 0.00 C ATOM 135 C SER A 9 7.620 11.798 8.718 1.00 0.00 C ATOM 136 O SER A 9 8.243 11.036 7.987 1.00 0.00 O ATOM 137 CB SER A 9 7.420 14.047 10.007 1.00 0.00 C ATOM 138 OG SER A 9 6.001 14.041 10.202 1.00 0.00 O ATOM 0 H SER A 9 8.381 14.023 6.848 1.00 0.00 H new ATOM 0 HA SER A 9 8.974 13.404 8.762 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.897 13.588 10.873 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.766 15.080 9.963 1.00 0.00 H new ATOM 0 HG SER A 9 5.554 13.873 9.346 1.00 0.00 H new ATOM 144 N GLU A 10 6.678 11.346 9.568 1.00 0.00 N ATOM 145 CA GLU A 10 6.304 9.977 9.749 1.00 0.00 C ATOM 146 C GLU A 10 4.904 10.009 10.327 1.00 0.00 C ATOM 147 O GLU A 10 4.272 11.063 10.366 1.00 0.00 O ATOM 148 CB GLU A 10 7.302 9.288 10.723 1.00 0.00 C ATOM 149 CG GLU A 10 7.502 9.988 12.087 1.00 0.00 C ATOM 150 CD GLU A 10 8.525 9.213 12.917 1.00 0.00 C ATOM 151 OE1 GLU A 10 9.605 9.787 13.218 1.00 0.00 O ATOM 152 OE2 GLU A 10 8.235 8.036 13.262 1.00 0.00 O ATOM 0 H GLU A 10 6.145 11.978 10.166 1.00 0.00 H new ATOM 0 HA GLU A 10 6.326 9.411 8.817 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.958 8.270 10.905 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.271 9.214 10.228 1.00 0.00 H new ATOM 0 HG2 GLU A 10 7.843 11.012 11.935 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.553 10.044 12.621 1.00 0.00 H new ATOM 159 N ASN A 11 4.425 8.841 10.817 1.00 0.00 N ATOM 160 CA ASN A 11 3.170 8.618 11.518 1.00 0.00 C ATOM 161 C ASN A 11 1.964 8.434 10.571 1.00 0.00 C ATOM 162 O ASN A 11 1.154 9.352 10.417 1.00 0.00 O ATOM 163 CB ASN A 11 2.939 9.681 12.650 1.00 0.00 C ATOM 164 CG ASN A 11 2.143 9.128 13.825 1.00 0.00 C ATOM 165 OD1 ASN A 11 1.767 7.954 13.847 1.00 0.00 O ATOM 166 ND2 ASN A 11 1.890 9.986 14.844 1.00 0.00 N ATOM 0 H ASN A 11 4.956 7.976 10.717 1.00 0.00 H new ATOM 0 HA ASN A 11 3.258 7.656 12.024 1.00 0.00 H new ATOM 0 HB2 ASN A 11 3.904 10.040 13.008 1.00 0.00 H new ATOM 0 HB3 ASN A 11 2.414 10.540 12.233 1.00 0.00 H new ATOM 0 HD21 ASN A 11 1.373 9.667 15.663 1.00 0.00 H new ATOM 0 HD22 ASN A 11 2.217 10.951 14.791 1.00 0.00 H new ATOM 173 N PRO A 12 1.776 7.253 9.919 1.00 0.00 N ATOM 174 CA PRO A 12 0.721 7.003 8.934 1.00 0.00 C ATOM 175 C PRO A 12 -0.656 6.763 9.565 1.00 0.00 C ATOM 176 O PRO A 12 -1.177 5.653 9.547 1.00 0.00 O ATOM 177 CB PRO A 12 1.258 5.795 8.145 1.00 0.00 C ATOM 178 CG PRO A 12 2.112 5.028 9.155 1.00 0.00 C ATOM 179 CD PRO A 12 2.708 6.128 10.024 1.00 0.00 C ATOM 0 HA PRO A 12 0.530 7.865 8.295 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.445 5.178 7.762 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.849 6.113 7.286 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.512 4.333 9.742 1.00 0.00 H new ATOM 0 HG3 PRO A 12 2.887 4.442 8.662 1.00 0.00 H new ATOM 0 HD2 PRO A 12 2.812 5.799 11.058 1.00 0.00 H new ATOM 0 HD3 PRO A 12 3.703 6.408 9.677 1.00 0.00 H new ATOM 187 N GLN A 13 -1.271 7.845 10.101 1.00 0.00 N ATOM 188 CA GLN A 13 -2.592 7.873 10.722 1.00 0.00 C ATOM 189 C GLN A 13 -3.565 8.557 9.772 1.00 0.00 C ATOM 190 O GLN A 13 -4.591 8.004 9.382 1.00 0.00 O ATOM 191 CB GLN A 13 -2.590 8.569 12.112 1.00 0.00 C ATOM 192 CG GLN A 13 -1.441 8.118 13.049 1.00 0.00 C ATOM 193 CD GLN A 13 -1.395 6.601 13.250 1.00 0.00 C ATOM 194 OE1 GLN A 13 -2.372 5.954 13.624 1.00 0.00 O ATOM 195 NE2 GLN A 13 -0.192 6.010 13.032 1.00 0.00 N ATOM 0 H GLN A 13 -0.825 8.762 10.106 1.00 0.00 H new ATOM 0 HA GLN A 13 -2.905 6.845 10.904 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -2.522 9.647 11.966 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -3.543 8.374 12.604 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.490 8.453 12.636 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -1.557 8.604 14.018 1.00 0.00 H new ATOM 0 HE21 GLN A 13 0.602 6.570 12.722 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -0.083 5.006 13.178 1.00 0.00 H new ATOM 204 N GLN A 14 -3.186 9.789 9.307 1.00 0.00 N ATOM 205 CA GLN A 14 -3.873 10.694 8.371 1.00 0.00 C ATOM 206 C GLN A 14 -3.951 10.181 6.936 1.00 0.00 C ATOM 207 O GLN A 14 -4.574 10.784 6.065 1.00 0.00 O ATOM 208 CB GLN A 14 -3.170 12.093 8.316 1.00 0.00 C ATOM 209 CG GLN A 14 -2.930 12.772 9.682 1.00 0.00 C ATOM 210 CD GLN A 14 -4.223 12.899 10.489 1.00 0.00 C ATOM 211 OE1 GLN A 14 -4.401 12.194 11.484 1.00 0.00 O ATOM 212 NE2 GLN A 14 -5.142 13.798 10.057 1.00 0.00 N ATOM 0 H GLN A 14 -2.305 10.198 9.618 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.885 10.762 8.769 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -2.210 11.978 7.814 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.774 12.759 7.700 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -2.201 12.195 10.252 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -2.501 13.762 9.525 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -4.954 14.362 9.228 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -6.022 13.911 10.561 1.00 0.00 H new ATOM 221 N PHE A 15 -3.275 9.034 6.685 1.00 0.00 N ATOM 222 CA PHE A 15 -3.178 8.344 5.420 1.00 0.00 C ATOM 223 C PHE A 15 -3.985 7.051 5.485 1.00 0.00 C ATOM 224 O PHE A 15 -4.067 6.339 4.487 1.00 0.00 O ATOM 225 CB PHE A 15 -1.695 8.111 4.972 1.00 0.00 C ATOM 226 CG PHE A 15 -0.815 9.316 5.235 1.00 0.00 C ATOM 227 CD1 PHE A 15 0.399 9.173 5.886 1.00 0.00 C ATOM 228 CD2 PHE A 15 -1.194 10.588 4.834 1.00 0.00 C ATOM 229 CE1 PHE A 15 1.172 10.274 6.204 1.00 0.00 C ATOM 230 CE2 PHE A 15 -0.432 11.690 5.159 1.00 0.00 C ATOM 231 CZ PHE A 15 0.747 11.538 5.858 1.00 0.00 C ATOM 0 H PHE A 15 -2.758 8.553 7.421 1.00 0.00 H new ATOM 0 HA PHE A 15 -3.607 8.979 4.645 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.291 7.247 5.500 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.673 7.874 3.908 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.747 8.185 6.149 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.099 10.717 4.259 1.00 0.00 H new ATOM 0 HE1 PHE A 15 2.110 10.143 6.724 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -0.760 12.676 4.865 1.00 0.00 H new ATOM 0 HZ PHE A 15 1.333 12.403 6.132 1.00 0.00 H new ATOM 241 N MET A 16 -4.662 6.724 6.647 1.00 0.00 N ATOM 242 CA MET A 16 -5.534 5.540 6.820 1.00 0.00 C ATOM 243 C MET A 16 -6.803 5.585 5.987 1.00 0.00 C ATOM 244 O MET A 16 -7.282 4.560 5.531 1.00 0.00 O ATOM 245 CB MET A 16 -5.940 5.267 8.300 1.00 0.00 C ATOM 246 CG MET A 16 -6.377 3.805 8.655 1.00 0.00 C ATOM 247 SD MET A 16 -8.139 3.277 8.553 1.00 0.00 S ATOM 248 CE MET A 16 -8.062 1.451 8.834 1.00 0.00 C ATOM 0 H MET A 16 -4.603 7.297 7.489 1.00 0.00 H new ATOM 0 HA MET A 16 -4.902 4.725 6.466 1.00 0.00 H new ATOM 0 HB2 MET A 16 -5.098 5.534 8.938 1.00 0.00 H new ATOM 0 HB3 MET A 16 -6.760 5.938 8.557 1.00 0.00 H new ATOM 0 HG2 MET A 16 -5.808 3.138 8.007 1.00 0.00 H new ATOM 0 HG3 MET A 16 -6.048 3.615 9.677 1.00 0.00 H new ATOM 0 HE1 MET A 16 -8.824 0.958 8.231 1.00 0.00 H new ATOM 0 HE2 MET A 16 -7.077 1.080 8.549 1.00 0.00 H new ATOM 0 HE3 MET A 16 -8.239 1.237 9.888 1.00 0.00 H new ATOM 258 N ASP A 17 -7.352 6.794 5.688 1.00 0.00 N ATOM 259 CA ASP A 17 -8.506 6.998 4.794 1.00 0.00 C ATOM 260 C ASP A 17 -8.214 6.602 3.333 1.00 0.00 C ATOM 261 O ASP A 17 -8.935 5.812 2.735 1.00 0.00 O ATOM 262 CB ASP A 17 -9.135 8.425 4.912 1.00 0.00 C ATOM 263 CG ASP A 17 -8.177 9.578 4.573 1.00 0.00 C ATOM 264 OD1 ASP A 17 -7.210 9.797 5.347 1.00 0.00 O ATOM 265 OD2 ASP A 17 -8.414 10.256 3.538 1.00 0.00 O ATOM 0 H ASP A 17 -6.991 7.666 6.074 1.00 0.00 H new ATOM 0 HA ASP A 17 -9.269 6.306 5.150 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -9.999 8.482 4.250 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -9.502 8.563 5.929 1.00 0.00 H new ATOM 270 N TYR A 18 -7.078 7.104 2.772 1.00 0.00 N ATOM 271 CA TYR A 18 -6.516 6.761 1.469 1.00 0.00 C ATOM 272 C TYR A 18 -5.913 5.353 1.359 1.00 0.00 C ATOM 273 O TYR A 18 -6.265 4.595 0.450 1.00 0.00 O ATOM 274 CB TYR A 18 -5.480 7.863 1.076 1.00 0.00 C ATOM 275 CG TYR A 18 -4.909 7.757 -0.326 1.00 0.00 C ATOM 276 CD1 TYR A 18 -5.723 7.849 -1.443 1.00 0.00 C ATOM 277 CD2 TYR A 18 -3.552 7.556 -0.505 1.00 0.00 C ATOM 278 CE1 TYR A 18 -5.192 7.731 -2.715 1.00 0.00 C ATOM 279 CE2 TYR A 18 -3.021 7.440 -1.776 1.00 0.00 C ATOM 280 CZ TYR A 18 -3.839 7.523 -2.884 1.00 0.00 C ATOM 281 OH TYR A 18 -3.273 7.408 -4.176 1.00 0.00 O ATOM 0 H TYR A 18 -6.511 7.797 3.259 1.00 0.00 H new ATOM 0 HA TYR A 18 -7.347 6.732 0.764 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -5.956 8.838 1.182 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.655 7.831 1.788 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -6.783 8.015 -1.320 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -2.902 7.489 0.355 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -5.838 7.802 -3.577 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -1.960 7.284 -1.902 1.00 0.00 H new ATOM 0 HH TYR A 18 -2.307 7.265 -4.098 1.00 0.00 H new ATOM 291 N PHE A 19 -4.988 4.958 2.290 1.00 0.00 N ATOM 292 CA PHE A 19 -4.310 3.663 2.262 1.00 0.00 C ATOM 293 C PHE A 19 -5.211 2.505 2.672 1.00 0.00 C ATOM 294 O PHE A 19 -5.164 1.448 2.048 1.00 0.00 O ATOM 295 CB PHE A 19 -2.916 3.688 2.951 1.00 0.00 C ATOM 296 CG PHE A 19 -1.900 4.579 2.244 1.00 0.00 C ATOM 297 CD1 PHE A 19 -1.828 4.736 0.863 1.00 0.00 C ATOM 298 CD2 PHE A 19 -0.943 5.231 3.009 1.00 0.00 C ATOM 299 CE1 PHE A 19 -0.816 5.478 0.279 1.00 0.00 C ATOM 300 CE2 PHE A 19 0.061 5.984 2.430 1.00 0.00 C ATOM 301 CZ PHE A 19 0.132 6.105 1.058 1.00 0.00 C ATOM 0 H PHE A 19 -4.706 5.546 3.074 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.083 3.460 1.215 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.034 4.031 3.979 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.525 2.672 2.997 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.575 4.271 0.236 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.984 5.148 4.085 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.769 5.566 -0.796 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.791 6.479 3.053 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.921 6.684 0.600 1.00 0.00 H new ATOM 311 N SER A 20 -6.170 2.709 3.634 1.00 0.00 N ATOM 312 CA SER A 20 -7.213 1.707 3.952 1.00 0.00 C ATOM 313 C SER A 20 -8.246 1.590 2.837 1.00 0.00 C ATOM 314 O SER A 20 -8.764 0.508 2.617 1.00 0.00 O ATOM 315 CB SER A 20 -7.888 1.761 5.351 1.00 0.00 C ATOM 316 OG SER A 20 -8.383 0.487 5.786 1.00 0.00 O ATOM 0 H SER A 20 -6.231 3.560 4.194 1.00 0.00 H new ATOM 0 HA SER A 20 -6.625 0.792 4.018 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.169 2.133 6.081 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.712 2.474 5.323 1.00 0.00 H new ATOM 0 HG SER A 20 -7.727 0.067 6.380 1.00 0.00 H new ATOM 322 N GLU A 21 -8.541 2.676 2.052 1.00 0.00 N ATOM 323 CA GLU A 21 -9.359 2.612 0.841 1.00 0.00 C ATOM 324 C GLU A 21 -8.662 1.882 -0.317 1.00 0.00 C ATOM 325 O GLU A 21 -9.245 0.952 -0.853 1.00 0.00 O ATOM 326 CB GLU A 21 -9.820 4.021 0.394 1.00 0.00 C ATOM 327 CG GLU A 21 -10.814 4.059 -0.788 1.00 0.00 C ATOM 328 CD GLU A 21 -11.284 5.488 -1.076 1.00 0.00 C ATOM 329 OE1 GLU A 21 -12.128 5.643 -2.000 1.00 0.00 O ATOM 330 OE2 GLU A 21 -10.817 6.438 -0.391 1.00 0.00 O ATOM 0 H GLU A 21 -8.205 3.616 2.262 1.00 0.00 H new ATOM 0 HA GLU A 21 -10.238 2.024 1.105 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.280 4.520 1.247 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.939 4.602 0.122 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.340 3.644 -1.678 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.675 3.430 -0.562 1.00 0.00 H new ATOM 337 N GLU A 22 -7.381 2.204 -0.685 1.00 0.00 N ATOM 338 CA GLU A 22 -6.638 1.506 -1.751 1.00 0.00 C ATOM 339 C GLU A 22 -6.175 0.087 -1.385 1.00 0.00 C ATOM 340 O GLU A 22 -6.172 -0.818 -2.220 1.00 0.00 O ATOM 341 CB GLU A 22 -5.443 2.378 -2.207 1.00 0.00 C ATOM 342 CG GLU A 22 -4.675 1.894 -3.454 1.00 0.00 C ATOM 343 CD GLU A 22 -3.648 2.957 -3.848 1.00 0.00 C ATOM 344 OE1 GLU A 22 -2.425 2.674 -3.742 1.00 0.00 O ATOM 345 OE2 GLU A 22 -4.076 4.069 -4.257 1.00 0.00 O ATOM 0 H GLU A 22 -6.849 2.954 -0.244 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.340 1.366 -2.573 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.811 3.385 -2.402 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.738 2.451 -1.379 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.176 0.947 -3.246 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.367 1.715 -4.277 1.00 0.00 H new ATOM 352 N PHE A 23 -5.845 -0.173 -0.077 1.00 0.00 N ATOM 353 CA PHE A 23 -5.587 -1.524 0.428 1.00 0.00 C ATOM 354 C PHE A 23 -6.875 -2.325 0.547 1.00 0.00 C ATOM 355 O PHE A 23 -6.998 -3.379 -0.058 1.00 0.00 O ATOM 356 CB PHE A 23 -4.931 -1.465 1.851 1.00 0.00 C ATOM 357 CG PHE A 23 -4.512 -2.773 2.495 1.00 0.00 C ATOM 358 CD1 PHE A 23 -4.691 -2.981 3.858 1.00 0.00 C ATOM 359 CD2 PHE A 23 -3.906 -3.769 1.752 1.00 0.00 C ATOM 360 CE1 PHE A 23 -4.120 -4.068 4.485 1.00 0.00 C ATOM 361 CE2 PHE A 23 -3.450 -4.915 2.363 1.00 0.00 C ATOM 362 CZ PHE A 23 -3.524 -5.055 3.729 1.00 0.00 C ATOM 0 H PHE A 23 -5.757 0.555 0.632 1.00 0.00 H new ATOM 0 HA PHE A 23 -4.916 -2.005 -0.284 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -4.050 -0.827 1.787 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -5.633 -0.972 2.523 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -5.284 -2.284 4.432 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -3.790 -3.647 0.685 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -4.139 -4.146 5.562 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -3.031 -5.711 1.765 1.00 0.00 H new ATOM 0 HZ PHE A 23 -3.117 -5.934 4.207 1.00 0.00 H new ATOM 372 N ARG A 24 -7.929 -1.822 1.254 1.00 0.00 N ATOM 373 CA ARG A 24 -9.182 -2.544 1.435 1.00 0.00 C ATOM 374 C ARG A 24 -10.057 -2.686 0.201 1.00 0.00 C ATOM 375 O ARG A 24 -10.681 -3.725 0.046 1.00 0.00 O ATOM 376 CB ARG A 24 -9.923 -2.136 2.743 1.00 0.00 C ATOM 377 CG ARG A 24 -10.863 -3.221 3.307 1.00 0.00 C ATOM 378 CD ARG A 24 -10.222 -4.152 4.354 1.00 0.00 C ATOM 379 NE ARG A 24 -8.728 -4.268 4.152 1.00 0.00 N ATOM 380 CZ ARG A 24 -8.079 -5.368 3.659 1.00 0.00 C ATOM 381 NH1 ARG A 24 -8.663 -6.595 3.621 1.00 0.00 N ATOM 382 NH2 ARG A 24 -6.805 -5.230 3.201 1.00 0.00 N ATOM 0 H ARG A 24 -7.914 -0.907 1.705 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.882 -3.581 1.586 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.183 -1.883 3.502 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.503 -1.234 2.551 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.728 -2.734 3.756 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.232 -3.827 2.480 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.426 -3.771 5.355 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.677 -5.141 4.290 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.157 -3.461 4.404 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.615 -6.718 3.967 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -8.149 -7.393 3.247 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -6.349 -4.318 3.229 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.306 -6.039 2.830 1.00 0.00 H new ATOM 396 N ASN A 25 -10.074 -1.727 -0.779 1.00 0.00 N ATOM 397 CA ASN A 25 -10.784 -1.918 -2.054 1.00 0.00 C ATOM 398 C ASN A 25 -10.135 -2.923 -2.981 1.00 0.00 C ATOM 399 O ASN A 25 -10.813 -3.838 -3.434 1.00 0.00 O ATOM 400 CB ASN A 25 -11.033 -0.608 -2.853 1.00 0.00 C ATOM 401 CG ASN A 25 -12.503 -0.260 -2.691 1.00 0.00 C ATOM 402 OD1 ASN A 25 -13.381 -0.886 -3.293 1.00 0.00 O ATOM 403 ND2 ASN A 25 -12.782 0.741 -1.818 1.00 0.00 N ATOM 0 H ASN A 25 -9.603 -0.826 -0.696 1.00 0.00 H new ATOM 0 HA ASN A 25 -11.744 -2.312 -1.721 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -10.402 0.198 -2.478 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.783 -0.745 -3.905 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -13.751 1.004 -1.636 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -12.023 1.230 -1.344 1.00 0.00 H new ATOM 410 N ASP A 26 -8.803 -2.804 -3.264 1.00 0.00 N ATOM 411 CA ASP A 26 -8.099 -3.716 -4.170 1.00 0.00 C ATOM 412 C ASP A 26 -7.790 -5.086 -3.561 1.00 0.00 C ATOM 413 O ASP A 26 -7.922 -6.099 -4.245 1.00 0.00 O ATOM 414 CB ASP A 26 -6.826 -3.100 -4.798 1.00 0.00 C ATOM 415 CG ASP A 26 -7.154 -1.792 -5.528 1.00 0.00 C ATOM 416 OD1 ASP A 26 -8.024 -1.819 -6.439 1.00 0.00 O ATOM 417 OD2 ASP A 26 -6.528 -0.750 -5.191 1.00 0.00 O ATOM 0 H ASP A 26 -8.208 -2.076 -2.867 1.00 0.00 H new ATOM 0 HA ASP A 26 -8.816 -3.881 -4.974 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -6.087 -2.911 -4.020 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -6.380 -3.809 -5.496 1.00 0.00 H new ATOM 422 N PHE A 27 -7.461 -5.173 -2.230 1.00 0.00 N ATOM 423 CA PHE A 27 -7.253 -6.420 -1.469 1.00 0.00 C ATOM 424 C PHE A 27 -8.554 -7.184 -1.303 1.00 0.00 C ATOM 425 O PHE A 27 -8.530 -8.398 -1.433 1.00 0.00 O ATOM 426 CB PHE A 27 -6.562 -6.187 -0.089 1.00 0.00 C ATOM 427 CG PHE A 27 -6.040 -7.366 0.729 1.00 0.00 C ATOM 428 CD1 PHE A 27 -4.675 -7.505 0.911 1.00 0.00 C ATOM 429 CD2 PHE A 27 -6.884 -8.158 1.501 1.00 0.00 C ATOM 430 CE1 PHE A 27 -4.167 -8.303 1.919 1.00 0.00 C ATOM 431 CE2 PHE A 27 -6.379 -8.977 2.495 1.00 0.00 C ATOM 432 CZ PHE A 27 -5.024 -9.026 2.715 1.00 0.00 C ATOM 0 H PHE A 27 -7.333 -4.341 -1.654 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.567 -7.027 -2.060 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -5.719 -5.517 -0.261 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -7.273 -5.650 0.539 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.996 -6.981 0.255 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -7.949 -8.133 1.322 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.101 -8.358 2.081 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -7.048 -9.576 3.096 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.630 -9.634 3.516 1.00 0.00 H new ATOM 442 N LEU A 28 -9.733 -6.499 -1.075 1.00 0.00 N ATOM 443 CA LEU A 28 -11.087 -7.102 -1.045 1.00 0.00 C ATOM 444 C LEU A 28 -11.439 -7.582 -2.415 1.00 0.00 C ATOM 445 O LEU A 28 -11.870 -8.708 -2.567 1.00 0.00 O ATOM 446 CB LEU A 28 -12.269 -6.252 -0.497 1.00 0.00 C ATOM 447 CG LEU A 28 -12.472 -6.273 1.028 1.00 0.00 C ATOM 448 CD1 LEU A 28 -13.646 -7.191 1.361 1.00 0.00 C ATOM 449 CD2 LEU A 28 -11.232 -6.659 1.839 1.00 0.00 C ATOM 0 H LEU A 28 -9.749 -5.493 -0.906 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.983 -7.898 -0.308 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.121 -5.218 -0.809 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -13.188 -6.599 -0.970 1.00 0.00 H new ATOM 0 HG LEU A 28 -12.684 -5.246 1.326 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -13.797 -7.212 2.440 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -14.548 -6.819 0.876 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -13.432 -8.199 1.005 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.474 -6.646 2.902 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -10.907 -7.659 1.553 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -10.431 -5.947 1.640 1.00 0.00 H new ATOM 461 N GLU A 29 -11.141 -6.776 -3.464 1.00 0.00 N ATOM 462 CA GLU A 29 -11.282 -7.156 -4.871 1.00 0.00 C ATOM 463 C GLU A 29 -10.539 -8.446 -5.289 1.00 0.00 C ATOM 464 O GLU A 29 -11.180 -9.366 -5.794 1.00 0.00 O ATOM 465 CB GLU A 29 -10.873 -5.919 -5.728 1.00 0.00 C ATOM 466 CG GLU A 29 -10.045 -6.131 -7.006 1.00 0.00 C ATOM 467 CD GLU A 29 -9.852 -4.812 -7.754 1.00 0.00 C ATOM 468 OE1 GLU A 29 -10.876 -4.216 -8.182 1.00 0.00 O ATOM 469 OE2 GLU A 29 -8.676 -4.390 -7.915 1.00 0.00 O ATOM 0 H GLU A 29 -10.790 -5.826 -3.341 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.323 -7.427 -5.046 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -11.788 -5.400 -6.013 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.312 -5.244 -5.082 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.074 -6.554 -6.749 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.545 -6.851 -7.653 1.00 0.00 H new ATOM 476 N LEU A 30 -9.201 -8.579 -5.005 1.00 0.00 N ATOM 477 CA LEU A 30 -8.414 -9.803 -5.235 1.00 0.00 C ATOM 478 C LEU A 30 -8.680 -10.962 -4.294 1.00 0.00 C ATOM 479 O LEU A 30 -8.666 -12.097 -4.755 1.00 0.00 O ATOM 480 CB LEU A 30 -6.925 -9.661 -5.579 1.00 0.00 C ATOM 481 CG LEU A 30 -5.984 -9.030 -4.554 1.00 0.00 C ATOM 482 CD1 LEU A 30 -5.345 -7.819 -5.226 1.00 0.00 C ATOM 483 CD2 LEU A 30 -4.863 -10.008 -4.195 1.00 0.00 C ATOM 0 H LEU A 30 -8.649 -7.820 -4.606 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.864 -10.078 -6.189 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.544 -10.656 -5.806 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.854 -9.075 -6.495 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.535 -8.764 -3.652 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.662 -7.334 -4.529 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.793 -8.142 -6.109 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.122 -7.114 -5.521 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.199 -9.547 -3.464 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.294 -10.916 -3.773 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.297 -10.258 -5.092 1.00 0.00 H new ATOM 495 N LEU A 31 -8.994 -10.716 -2.984 1.00 0.00 N ATOM 496 CA LEU A 31 -9.444 -11.660 -1.948 1.00 0.00 C ATOM 497 C LEU A 31 -10.732 -12.357 -2.359 1.00 0.00 C ATOM 498 O LEU A 31 -10.791 -13.581 -2.410 1.00 0.00 O ATOM 499 CB LEU A 31 -9.648 -10.922 -0.591 1.00 0.00 C ATOM 500 CG LEU A 31 -10.128 -11.709 0.650 1.00 0.00 C ATOM 501 CD1 LEU A 31 -10.255 -10.739 1.856 1.00 0.00 C ATOM 502 CD2 LEU A 31 -9.186 -12.895 0.943 1.00 0.00 C ATOM 0 H LEU A 31 -8.928 -9.769 -2.610 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.669 -12.417 -1.829 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.699 -10.453 -0.331 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.364 -10.119 -0.763 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.112 -12.137 0.458 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.593 -11.291 2.733 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.285 -10.288 2.064 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.976 -9.957 1.619 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -9.543 -13.435 1.820 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.170 -13.567 0.085 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.179 -12.522 1.131 1.00 0.00 H new ATOM 514 N ARG A 32 -11.754 -11.556 -2.773 1.00 0.00 N ATOM 515 CA ARG A 32 -13.046 -11.963 -3.322 1.00 0.00 C ATOM 516 C ARG A 32 -12.961 -12.697 -4.661 1.00 0.00 C ATOM 517 O ARG A 32 -13.642 -13.704 -4.783 1.00 0.00 O ATOM 518 CB ARG A 32 -14.041 -10.772 -3.443 1.00 0.00 C ATOM 519 CG ARG A 32 -14.415 -10.138 -2.096 1.00 0.00 C ATOM 520 CD ARG A 32 -14.947 -8.689 -2.172 1.00 0.00 C ATOM 521 NE ARG A 32 -16.440 -8.592 -2.036 1.00 0.00 N ATOM 522 CZ ARG A 32 -17.051 -7.429 -1.633 1.00 0.00 C ATOM 523 NH1 ARG A 32 -16.331 -6.282 -1.464 1.00 0.00 N ATOM 524 NH2 ARG A 32 -18.392 -7.415 -1.381 1.00 0.00 N ATOM 0 H ARG A 32 -11.674 -10.540 -2.721 1.00 0.00 H new ATOM 0 HA ARG A 32 -13.426 -12.676 -2.591 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -13.602 -10.008 -4.084 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -14.950 -11.118 -3.936 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -15.171 -10.760 -1.618 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -13.537 -10.151 -1.451 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -14.479 -8.097 -1.386 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -14.647 -8.250 -3.123 1.00 0.00 H new ATOM 0 HE ARG A 32 -17.014 -9.408 -2.248 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -15.326 -6.281 -1.637 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -16.798 -5.426 -1.164 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -18.941 -8.268 -1.492 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -18.846 -6.552 -1.082 1.00 0.00 H new ATOM 538 N ARG A 33 -12.172 -12.255 -5.697 1.00 0.00 N ATOM 539 CA ARG A 33 -11.897 -13.039 -6.920 1.00 0.00 C ATOM 540 C ARG A 33 -10.989 -14.235 -6.894 1.00 0.00 C ATOM 541 O ARG A 33 -11.317 -15.277 -7.449 1.00 0.00 O ATOM 542 CB ARG A 33 -11.568 -12.270 -8.217 1.00 0.00 C ATOM 543 CG ARG A 33 -10.438 -11.237 -8.211 1.00 0.00 C ATOM 544 CD ARG A 33 -9.592 -11.197 -9.495 1.00 0.00 C ATOM 545 NE ARG A 33 -10.387 -10.645 -10.645 1.00 0.00 N ATOM 546 CZ ARG A 33 -9.832 -10.468 -11.885 1.00 0.00 C ATOM 547 NH1 ARG A 33 -8.543 -10.846 -12.133 1.00 0.00 N ATOM 548 NH2 ARG A 33 -10.570 -9.913 -12.889 1.00 0.00 N ATOM 0 H ARG A 33 -11.716 -11.343 -5.692 1.00 0.00 H new ATOM 0 HA ARG A 33 -12.920 -13.415 -6.927 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -11.333 -13.008 -8.984 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -12.477 -11.759 -8.534 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.869 -10.249 -8.046 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.781 -11.443 -7.366 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.706 -10.583 -9.332 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.244 -12.201 -9.737 1.00 0.00 H new ATOM 0 HE ARG A 33 -11.365 -10.396 -10.498 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -7.983 -11.265 -11.391 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -8.141 -10.709 -13.060 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -11.535 -9.630 -12.716 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -10.157 -9.781 -13.812 1.00 0.00 H new ATOM 562 N ARG A 34 -9.762 -14.085 -6.354 1.00 0.00 N ATOM 563 CA ARG A 34 -8.732 -15.098 -6.453 1.00 0.00 C ATOM 564 C ARG A 34 -8.829 -16.204 -5.412 1.00 0.00 C ATOM 565 O ARG A 34 -8.444 -17.347 -5.648 1.00 0.00 O ATOM 566 CB ARG A 34 -7.341 -14.423 -6.526 1.00 0.00 C ATOM 567 CG ARG A 34 -7.234 -13.465 -7.738 1.00 0.00 C ATOM 568 CD ARG A 34 -7.119 -14.157 -9.108 1.00 0.00 C ATOM 569 NE ARG A 34 -5.861 -14.979 -9.145 1.00 0.00 N ATOM 570 CZ ARG A 34 -5.527 -15.785 -10.201 1.00 0.00 C ATOM 571 NH1 ARG A 34 -6.337 -15.879 -11.295 1.00 0.00 N ATOM 572 NH2 ARG A 34 -4.367 -16.503 -10.156 1.00 0.00 N ATOM 0 H ARG A 34 -9.474 -13.252 -5.840 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.895 -15.639 -7.385 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -7.157 -13.868 -5.606 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -6.568 -15.188 -6.597 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -8.110 -12.817 -7.748 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -6.364 -12.823 -7.598 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -7.988 -14.792 -9.281 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -7.104 -13.413 -9.904 1.00 0.00 H new ATOM 0 HE ARG A 34 -5.227 -14.935 -8.347 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -7.205 -15.345 -11.334 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -6.075 -16.484 -12.073 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -3.757 -16.437 -9.341 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.110 -17.106 -10.937 1.00 0.00 H new ATOM 586 N PHE A 35 -9.340 -15.853 -4.208 1.00 0.00 N ATOM 587 CA PHE A 35 -9.413 -16.716 -3.048 1.00 0.00 C ATOM 588 C PHE A 35 -10.865 -17.061 -2.676 1.00 0.00 C ATOM 589 O PHE A 35 -11.108 -18.142 -2.128 1.00 0.00 O ATOM 590 CB PHE A 35 -8.637 -16.087 -1.827 1.00 0.00 C ATOM 591 CG PHE A 35 -7.256 -15.563 -2.155 1.00 0.00 C ATOM 592 CD1 PHE A 35 -6.138 -16.213 -1.674 1.00 0.00 C ATOM 593 CD2 PHE A 35 -7.054 -14.387 -2.862 1.00 0.00 C ATOM 594 CE1 PHE A 35 -4.881 -15.719 -1.915 1.00 0.00 C ATOM 595 CE2 PHE A 35 -5.796 -13.898 -3.140 1.00 0.00 C ATOM 596 CZ PHE A 35 -4.696 -14.571 -2.652 1.00 0.00 C ATOM 0 H PHE A 35 -9.721 -14.924 -4.031 1.00 0.00 H new ATOM 0 HA PHE A 35 -8.924 -17.654 -3.309 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -9.232 -15.271 -1.418 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -8.548 -16.840 -1.044 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -6.254 -17.121 -1.101 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -7.915 -13.834 -3.208 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -4.021 -16.240 -1.520 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -5.674 -13.002 -3.731 1.00 0.00 H new ATOM 0 HZ PHE A 35 -3.700 -14.202 -2.846 1.00 0.00 H new ATOM 606 N GLY A 36 -11.885 -16.140 -2.870 1.00 0.00 N ATOM 607 CA GLY A 36 -13.232 -16.271 -2.327 1.00 0.00 C ATOM 608 C GLY A 36 -13.276 -15.937 -0.873 1.00 0.00 C ATOM 609 O GLY A 36 -12.952 -14.837 -0.436 1.00 0.00 O ATOM 0 H GLY A 36 -11.757 -15.290 -3.419 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -13.910 -15.614 -2.872 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -13.587 -17.290 -2.477 1.00 0.00 H new ATOM 613 N THR A 37 -13.621 -16.971 -0.084 1.00 0.00 N ATOM 614 CA THR A 37 -13.552 -16.993 1.355 1.00 0.00 C ATOM 615 C THR A 37 -12.722 -18.254 1.590 1.00 0.00 C ATOM 616 O THR A 37 -13.227 -19.365 1.451 1.00 0.00 O ATOM 617 CB THR A 37 -14.953 -17.171 1.984 1.00 0.00 C ATOM 618 OG1 THR A 37 -15.758 -18.087 1.241 1.00 0.00 O ATOM 619 CG2 THR A 37 -15.745 -15.862 2.043 1.00 0.00 C ATOM 0 H THR A 37 -13.970 -17.848 -0.470 1.00 0.00 H new ATOM 0 HA THR A 37 -13.146 -16.079 1.788 1.00 0.00 H new ATOM 0 HB THR A 37 -14.755 -17.543 2.989 1.00 0.00 H new ATOM 0 HG1 THR A 37 -15.228 -18.879 1.015 1.00 0.00 H new ATOM 0 HG21 THR A 37 -16.720 -16.047 2.494 1.00 0.00 H new ATOM 0 HG22 THR A 37 -15.200 -15.134 2.643 1.00 0.00 H new ATOM 0 HG23 THR A 37 -15.880 -15.472 1.034 1.00 0.00 H new ATOM 627 N LYS A 38 -11.463 -18.098 2.022 1.00 0.00 N ATOM 628 CA LYS A 38 -10.547 -19.192 2.312 1.00 0.00 C ATOM 629 C LYS A 38 -9.593 -18.752 3.399 1.00 0.00 C ATOM 630 O LYS A 38 -9.246 -17.580 3.497 1.00 0.00 O ATOM 631 CB LYS A 38 -9.735 -19.605 1.057 1.00 0.00 C ATOM 632 CG LYS A 38 -9.047 -20.979 1.183 1.00 0.00 C ATOM 633 CD LYS A 38 -7.554 -20.918 0.843 1.00 0.00 C ATOM 634 CE LYS A 38 -7.250 -20.526 -0.610 1.00 0.00 C ATOM 635 NZ LYS A 38 -5.789 -20.463 -0.842 1.00 0.00 N ATOM 0 H LYS A 38 -11.050 -17.179 2.181 1.00 0.00 H new ATOM 0 HA LYS A 38 -11.131 -20.054 2.634 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.401 -19.621 0.194 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.977 -18.847 0.861 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.170 -21.352 2.200 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.539 -21.691 0.520 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.071 -20.202 1.508 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.108 -21.892 1.045 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.700 -21.251 -1.289 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -7.700 -19.559 -0.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.606 -20.196 -1.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.367 -19.755 -0.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.367 -21.394 -0.651 1.00 0.00 H new ATOM 649 N ARG A 39 -9.090 -19.698 4.241 1.00 0.00 N ATOM 650 CA ARG A 39 -8.082 -19.488 5.273 1.00 0.00 C ATOM 651 C ARG A 39 -6.695 -19.268 4.649 1.00 0.00 C ATOM 652 O ARG A 39 -6.076 -20.151 4.059 1.00 0.00 O ATOM 653 CB ARG A 39 -8.136 -20.625 6.337 1.00 0.00 C ATOM 654 CG ARG A 39 -7.629 -22.031 5.940 1.00 0.00 C ATOM 655 CD ARG A 39 -8.417 -22.788 4.848 1.00 0.00 C ATOM 656 NE ARG A 39 -7.876 -24.190 4.729 1.00 0.00 N ATOM 657 CZ ARG A 39 -6.793 -24.530 3.958 1.00 0.00 C ATOM 658 NH1 ARG A 39 -6.123 -23.593 3.228 1.00 0.00 N ATOM 659 NH2 ARG A 39 -6.382 -25.831 3.922 1.00 0.00 N ATOM 0 H ARG A 39 -9.404 -20.668 4.201 1.00 0.00 H new ATOM 0 HA ARG A 39 -8.304 -18.569 5.815 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.560 -20.297 7.202 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.171 -20.726 6.663 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -6.596 -21.935 5.605 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.616 -22.650 6.837 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -9.477 -22.815 5.100 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.329 -22.269 3.893 1.00 0.00 H new ATOM 0 HE ARG A 39 -8.343 -24.930 5.253 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.425 -22.619 3.249 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.320 -23.866 2.661 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -6.879 -26.538 4.464 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.578 -26.096 3.353 1.00 0.00 H new ATOM 673 N VAL A 40 -6.199 -18.016 4.700 1.00 0.00 N ATOM 674 CA VAL A 40 -4.995 -17.618 3.999 1.00 0.00 C ATOM 675 C VAL A 40 -4.421 -16.513 4.817 1.00 0.00 C ATOM 676 O VAL A 40 -5.139 -15.850 5.554 1.00 0.00 O ATOM 677 CB VAL A 40 -5.278 -17.215 2.543 1.00 0.00 C ATOM 678 CG1 VAL A 40 -6.246 -16.018 2.433 1.00 0.00 C ATOM 679 CG2 VAL A 40 -3.988 -16.988 1.726 1.00 0.00 C ATOM 0 H VAL A 40 -6.633 -17.263 5.233 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.285 -18.440 3.903 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.786 -18.069 2.095 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -6.409 -15.778 1.382 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.197 -16.275 2.899 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -5.816 -15.154 2.940 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.248 -16.706 0.706 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.402 -16.191 2.185 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.401 -17.906 1.710 1.00 0.00 H new ATOM 689 N HIS A 41 -3.095 -16.309 4.717 1.00 0.00 N ATOM 690 CA HIS A 41 -2.315 -15.340 5.458 1.00 0.00 C ATOM 691 C HIS A 41 -2.340 -13.983 4.781 1.00 0.00 C ATOM 692 O HIS A 41 -2.163 -13.919 3.556 1.00 0.00 O ATOM 693 CB HIS A 41 -0.873 -15.900 5.514 1.00 0.00 C ATOM 694 CG HIS A 41 0.008 -15.299 6.549 1.00 0.00 C ATOM 695 ND1 HIS A 41 0.231 -15.800 7.783 1.00 0.00 N flip ATOM 696 CD2 HIS A 41 0.649 -14.084 6.505 1.00 0.00 C flip ATOM 697 CE1 HIS A 41 0.963 -14.907 8.540 1.00 0.00 C flip ATOM 698 NE2 HIS A 41 1.198 -13.892 7.732 1.00 0.00 N flip ATOM 0 H HIS A 41 -2.520 -16.855 4.076 1.00 0.00 H new ATOM 0 HA HIS A 41 -2.723 -15.192 6.458 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -0.926 -16.975 5.687 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -0.408 -15.757 4.539 1.00 0.00 H new ATOM 0 HD2 HIS A 41 0.705 -13.413 5.660 1.00 0.00 H new ATOM 0 HE1 HIS A 41 1.275 -15.016 9.568 1.00 0.00 H new ATOM 0 HE2 HIS A 41 1.729 -13.062 7.997 1.00 0.00 H new ATOM 706 N ASN A 42 -2.548 -12.838 5.520 1.00 0.00 N ATOM 707 CA ASN A 42 -2.613 -11.491 4.903 1.00 0.00 C ATOM 708 C ASN A 42 -1.378 -11.067 4.099 1.00 0.00 C ATOM 709 O ASN A 42 -1.521 -10.424 3.080 1.00 0.00 O ATOM 710 CB ASN A 42 -2.945 -10.262 5.780 1.00 0.00 C ATOM 711 CG ASN A 42 -3.940 -10.578 6.875 1.00 0.00 C ATOM 712 OD1 ASN A 42 -3.713 -11.459 7.709 1.00 0.00 O ATOM 713 ND2 ASN A 42 -5.043 -9.790 6.931 1.00 0.00 N ATOM 0 H ASN A 42 -2.671 -12.836 6.533 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.478 -11.713 4.278 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.027 -9.882 6.228 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -3.345 -9.468 5.149 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -5.721 -9.915 7.682 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -5.194 -9.073 6.222 1.00 0.00 H new ATOM 720 N ASN A 43 -0.147 -11.515 4.503 1.00 0.00 N ATOM 721 CA ASN A 43 1.115 -11.409 3.730 1.00 0.00 C ATOM 722 C ASN A 43 1.068 -12.179 2.438 1.00 0.00 C ATOM 723 O ASN A 43 1.682 -11.709 1.520 1.00 0.00 O ATOM 724 CB ASN A 43 2.425 -11.668 4.523 1.00 0.00 C ATOM 725 CG ASN A 43 2.439 -10.829 5.808 1.00 0.00 C ATOM 726 OD1 ASN A 43 1.999 -11.315 6.849 1.00 0.00 O ATOM 727 ND2 ASN A 43 2.921 -9.551 5.755 1.00 0.00 N ATOM 0 H ASN A 43 -0.012 -11.972 5.405 1.00 0.00 H new ATOM 0 HA ASN A 43 1.169 -10.348 3.485 1.00 0.00 H new ATOM 0 HB2 ASN A 43 2.506 -12.727 4.770 1.00 0.00 H new ATOM 0 HB3 ASN A 43 3.288 -11.417 3.906 1.00 0.00 H new ATOM 0 HD21 ASN A 43 2.923 -8.971 6.594 1.00 0.00 H new ATOM 0 HD22 ASN A 43 3.279 -9.177 4.876 1.00 0.00 H new ATOM 734 N ILE A 44 0.305 -13.280 2.224 1.00 0.00 N ATOM 735 CA ILE A 44 0.153 -13.887 0.886 1.00 0.00 C ATOM 736 C ILE A 44 -0.804 -13.103 -0.019 1.00 0.00 C ATOM 737 O ILE A 44 -0.560 -12.928 -1.208 1.00 0.00 O ATOM 738 CB ILE A 44 -0.172 -15.375 0.926 1.00 0.00 C ATOM 739 CG1 ILE A 44 0.870 -16.057 1.853 1.00 0.00 C ATOM 740 CG2 ILE A 44 -0.110 -15.942 -0.521 1.00 0.00 C ATOM 741 CD1 ILE A 44 0.842 -17.582 1.770 1.00 0.00 C ATOM 0 H ILE A 44 -0.211 -13.761 2.961 1.00 0.00 H new ATOM 0 HA ILE A 44 1.139 -13.814 0.427 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.173 -15.562 1.315 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.867 -15.703 1.590 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.685 -15.752 2.883 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.341 -17.007 -0.505 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.836 -15.423 -1.147 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.891 -15.794 -0.927 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.594 -17.997 2.442 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.144 -17.944 2.061 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.056 -17.895 0.748 1.00 0.00 H new ATOM 753 N VAL A 45 -1.901 -12.548 0.564 1.00 0.00 N ATOM 754 CA VAL A 45 -2.863 -11.671 -0.139 1.00 0.00 C ATOM 755 C VAL A 45 -2.279 -10.272 -0.391 1.00 0.00 C ATOM 756 O VAL A 45 -2.425 -9.768 -1.500 1.00 0.00 O ATOM 757 CB VAL A 45 -4.276 -11.624 0.460 1.00 0.00 C ATOM 758 CG1 VAL A 45 -4.754 -13.053 0.795 1.00 0.00 C ATOM 759 CG2 VAL A 45 -5.283 -10.950 -0.517 1.00 0.00 C ATOM 0 H VAL A 45 -2.140 -12.701 1.544 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.015 -12.151 -1.106 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.235 -11.028 1.372 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.757 -13.011 1.219 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.770 -13.654 -0.114 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.073 -13.505 1.517 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.274 -10.932 -0.063 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.961 -9.930 -0.725 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.320 -11.515 -1.448 1.00 0.00 H new ATOM 769 N TYR A 46 -1.516 -9.666 0.606 1.00 0.00 N ATOM 770 CA TYR A 46 -0.732 -8.393 0.555 1.00 0.00 C ATOM 771 C TYR A 46 0.359 -8.579 -0.448 1.00 0.00 C ATOM 772 O TYR A 46 0.348 -7.853 -1.416 1.00 0.00 O ATOM 773 CB TYR A 46 -0.099 -7.906 1.932 1.00 0.00 C ATOM 774 CG TYR A 46 -0.046 -6.397 2.242 1.00 0.00 C ATOM 775 CD1 TYR A 46 0.065 -6.098 3.593 1.00 0.00 C ATOM 776 CD2 TYR A 46 -0.207 -5.298 1.384 1.00 0.00 C ATOM 777 CE1 TYR A 46 -0.344 -4.882 4.075 1.00 0.00 C ATOM 778 CE2 TYR A 46 -0.471 -4.036 1.883 1.00 0.00 C ATOM 779 CZ TYR A 46 -0.628 -3.838 3.230 1.00 0.00 C ATOM 780 OH TYR A 46 -1.139 -2.618 3.729 1.00 0.00 O ATOM 0 H TYR A 46 -1.440 -10.101 1.525 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.440 -7.608 0.288 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -0.654 -8.387 2.737 1.00 0.00 H new ATOM 0 HB3 TYR A 46 0.921 -8.286 1.977 1.00 0.00 H new ATOM 0 HD1 TYR A 46 0.478 -6.831 4.271 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -0.123 -5.440 0.317 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -0.445 -4.742 5.141 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -0.554 -3.199 1.206 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.083 -2.732 3.967 1.00 0.00 H new ATOM 790 N ASN A 47 1.216 -9.636 -0.385 1.00 0.00 N ATOM 791 CA ASN A 47 2.263 -9.955 -1.370 1.00 0.00 C ATOM 792 C ASN A 47 1.797 -10.217 -2.793 1.00 0.00 C ATOM 793 O ASN A 47 2.525 -9.981 -3.753 1.00 0.00 O ATOM 794 CB ASN A 47 3.172 -11.084 -0.786 1.00 0.00 C ATOM 795 CG ASN A 47 2.989 -12.590 -1.130 1.00 0.00 C ATOM 796 OD1 ASN A 47 2.567 -13.076 -2.178 1.00 0.00 O ATOM 797 ND2 ASN A 47 3.391 -13.409 -0.124 1.00 0.00 N ATOM 0 H ASN A 47 1.187 -10.306 0.383 1.00 0.00 H new ATOM 0 HA ASN A 47 2.847 -9.046 -1.513 1.00 0.00 H new ATOM 0 HB2 ASN A 47 4.196 -10.828 -1.059 1.00 0.00 H new ATOM 0 HB3 ASN A 47 3.103 -11.005 0.299 1.00 0.00 H new ATOM 0 HD21 ASN A 47 3.342 -14.421 -0.240 1.00 0.00 H new ATOM 0 HD22 ASN A 47 3.742 -13.012 0.748 1.00 0.00 H new ATOM 804 N GLU A 48 0.525 -10.686 -2.930 1.00 0.00 N ATOM 805 CA GLU A 48 -0.142 -10.896 -4.221 1.00 0.00 C ATOM 806 C GLU A 48 -0.619 -9.564 -4.810 1.00 0.00 C ATOM 807 O GLU A 48 -0.270 -9.199 -5.934 1.00 0.00 O ATOM 808 CB GLU A 48 -1.324 -11.905 -4.105 1.00 0.00 C ATOM 809 CG GLU A 48 -2.087 -12.150 -5.425 1.00 0.00 C ATOM 810 CD GLU A 48 -2.933 -13.422 -5.410 1.00 0.00 C ATOM 811 OE1 GLU A 48 -2.380 -14.505 -5.083 1.00 0.00 O ATOM 812 OE2 GLU A 48 -4.138 -13.330 -5.769 1.00 0.00 O ATOM 0 H GLU A 48 -0.061 -10.928 -2.131 1.00 0.00 H new ATOM 0 HA GLU A 48 0.592 -11.331 -4.900 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.938 -12.857 -3.741 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.026 -11.538 -3.356 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.733 -11.295 -5.627 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.371 -12.209 -6.245 1.00 0.00 H new ATOM 819 N TYR A 49 -1.341 -8.761 -3.973 1.00 0.00 N ATOM 820 CA TYR A 49 -1.887 -7.406 -4.132 1.00 0.00 C ATOM 821 C TYR A 49 -0.816 -6.378 -4.484 1.00 0.00 C ATOM 822 O TYR A 49 -1.004 -5.507 -5.329 1.00 0.00 O ATOM 823 CB TYR A 49 -2.636 -7.109 -2.779 1.00 0.00 C ATOM 824 CG TYR A 49 -2.779 -5.697 -2.330 1.00 0.00 C ATOM 825 CD1 TYR A 49 -3.883 -4.926 -2.570 1.00 0.00 C ATOM 826 CD2 TYR A 49 -1.653 -5.126 -1.789 1.00 0.00 C ATOM 827 CE1 TYR A 49 -3.826 -3.597 -2.242 1.00 0.00 C ATOM 828 CE2 TYR A 49 -1.516 -3.778 -1.647 1.00 0.00 C ATOM 829 CZ TYR A 49 -2.660 -3.019 -1.796 1.00 0.00 C ATOM 830 OH TYR A 49 -2.684 -1.638 -1.625 1.00 0.00 O ATOM 0 H TYR A 49 -1.578 -9.114 -3.046 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.573 -7.338 -4.977 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -3.637 -7.533 -2.857 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -2.119 -7.655 -1.990 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -4.774 -5.353 -3.006 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -0.848 -5.768 -1.465 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -4.715 -2.991 -2.336 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -0.560 -3.325 -1.429 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.004 -1.226 -2.198 1.00 0.00 H new ATOM 840 N ILE A 50 0.360 -6.527 -3.829 1.00 0.00 N ATOM 841 CA ILE A 50 1.572 -5.707 -3.830 1.00 0.00 C ATOM 842 C ILE A 50 2.184 -5.527 -5.207 1.00 0.00 C ATOM 843 O ILE A 50 2.816 -4.514 -5.485 1.00 0.00 O ATOM 844 CB ILE A 50 2.572 -6.445 -2.903 1.00 0.00 C ATOM 845 CG1 ILE A 50 2.438 -6.045 -1.417 1.00 0.00 C ATOM 846 CG2 ILE A 50 4.053 -6.550 -3.294 1.00 0.00 C ATOM 847 CD1 ILE A 50 3.207 -4.851 -0.938 1.00 0.00 C ATOM 0 H ILE A 50 0.485 -7.330 -3.213 1.00 0.00 H new ATOM 0 HA ILE A 50 1.331 -4.700 -3.491 1.00 0.00 H new ATOM 0 HB ILE A 50 2.217 -7.462 -3.070 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.382 -5.866 -1.213 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.739 -6.901 -0.812 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.594 -7.100 -2.524 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.142 -7.075 -4.245 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.476 -5.550 -3.391 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.013 -4.695 0.123 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.273 -5.020 -1.091 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.895 -3.969 -1.498 1.00 0.00 H new ATOM 859 N SER A 51 1.977 -6.516 -6.103 1.00 0.00 N ATOM 860 CA SER A 51 2.533 -6.580 -7.437 1.00 0.00 C ATOM 861 C SER A 51 1.815 -5.775 -8.547 1.00 0.00 C ATOM 862 O SER A 51 2.256 -5.763 -9.690 1.00 0.00 O ATOM 863 CB SER A 51 2.659 -8.086 -7.859 1.00 0.00 C ATOM 864 OG SER A 51 1.407 -8.777 -8.032 1.00 0.00 O ATOM 0 H SER A 51 1.388 -7.320 -5.888 1.00 0.00 H new ATOM 0 HA SER A 51 3.499 -6.082 -7.356 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.219 -8.140 -8.793 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.245 -8.611 -7.105 1.00 0.00 H new ATOM 0 HG SER A 51 0.880 -8.710 -7.209 1.00 0.00 H new ATOM 870 N HIS A 52 0.664 -5.119 -8.226 1.00 0.00 N ATOM 871 CA HIS A 52 -0.206 -4.357 -9.132 1.00 0.00 C ATOM 872 C HIS A 52 0.096 -2.840 -9.080 1.00 0.00 C ATOM 873 O HIS A 52 1.250 -2.438 -8.960 1.00 0.00 O ATOM 874 CB HIS A 52 -1.681 -4.690 -8.765 1.00 0.00 C ATOM 875 CG HIS A 52 -2.095 -6.125 -8.998 1.00 0.00 C ATOM 876 ND1 HIS A 52 -2.690 -6.602 -10.153 1.00 0.00 N ATOM 877 CD2 HIS A 52 -2.120 -7.166 -8.117 1.00 0.00 C ATOM 878 CE1 HIS A 52 -3.060 -7.886 -9.898 1.00 0.00 C ATOM 879 NE2 HIS A 52 -2.736 -8.267 -8.683 1.00 0.00 N ATOM 0 H HIS A 52 0.309 -5.116 -7.270 1.00 0.00 H new ATOM 0 HA HIS A 52 -0.019 -4.646 -10.166 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -1.840 -4.449 -7.714 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -2.338 -4.041 -9.344 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -1.715 -7.135 -7.116 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -3.563 -8.520 -10.613 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -2.902 -9.176 -8.252 1.00 0.00 H new ATOM 887 N ARG A 53 -0.924 -1.921 -9.150 1.00 0.00 N ATOM 888 CA ARG A 53 -0.758 -0.453 -9.100 1.00 0.00 C ATOM 889 C ARG A 53 -0.484 0.094 -7.694 1.00 0.00 C ATOM 890 O ARG A 53 0.347 0.958 -7.433 1.00 0.00 O ATOM 891 CB ARG A 53 -1.976 0.254 -9.796 1.00 0.00 C ATOM 892 CG ARG A 53 -3.086 0.902 -8.924 1.00 0.00 C ATOM 893 CD ARG A 53 -4.115 0.003 -8.199 1.00 0.00 C ATOM 894 NE ARG A 53 -5.347 -0.203 -9.045 1.00 0.00 N ATOM 895 CZ ARG A 53 -5.549 -1.278 -9.871 1.00 0.00 C ATOM 896 NH1 ARG A 53 -4.603 -2.251 -10.013 1.00 0.00 N ATOM 897 NH2 ARG A 53 -6.722 -1.376 -10.563 1.00 0.00 N ATOM 0 H ARG A 53 -1.900 -2.202 -9.245 1.00 0.00 H new ATOM 0 HA ARG A 53 0.146 -0.215 -9.661 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.574 1.033 -10.445 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.456 -0.482 -10.441 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.591 1.508 -8.165 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -3.645 1.586 -9.563 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -3.662 -0.962 -7.970 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.394 0.458 -7.249 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.079 0.506 -8.999 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -3.724 -2.187 -9.499 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.774 -3.042 -10.633 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -7.436 -0.654 -10.462 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -6.885 -2.171 -11.181 1.00 0.00 H new ATOM 911 N GLU A 54 -1.279 -0.492 -6.786 1.00 0.00 N ATOM 912 CA GLU A 54 -1.597 -0.395 -5.385 1.00 0.00 C ATOM 913 C GLU A 54 -0.515 -0.693 -4.379 1.00 0.00 C ATOM 914 O GLU A 54 -0.845 -0.899 -3.216 1.00 0.00 O ATOM 915 CB GLU A 54 -2.798 -1.355 -5.144 1.00 0.00 C ATOM 916 CG GLU A 54 -2.462 -2.819 -5.503 1.00 0.00 C ATOM 917 CD GLU A 54 -3.670 -3.606 -6.018 1.00 0.00 C ATOM 918 OE1 GLU A 54 -4.342 -3.117 -6.962 1.00 0.00 O ATOM 919 OE2 GLU A 54 -3.909 -4.734 -5.513 1.00 0.00 O ATOM 0 H GLU A 54 -1.859 -1.247 -7.152 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.797 0.661 -5.205 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.099 -1.300 -4.098 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.649 -1.024 -5.739 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.679 -2.830 -6.261 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.059 -3.319 -4.622 1.00 0.00 H new ATOM 926 N HIS A 55 0.775 -0.801 -4.798 1.00 0.00 N ATOM 927 CA HIS A 55 1.970 -1.175 -4.039 1.00 0.00 C ATOM 928 C HIS A 55 2.293 -0.377 -2.765 1.00 0.00 C ATOM 929 O HIS A 55 3.225 0.416 -2.657 1.00 0.00 O ATOM 930 CB HIS A 55 3.203 -1.295 -4.964 1.00 0.00 C ATOM 931 CG HIS A 55 4.363 -2.027 -4.338 1.00 0.00 C ATOM 932 ND1 HIS A 55 4.414 -3.153 -3.570 1.00 0.00 N flip ATOM 933 CD2 HIS A 55 5.665 -1.604 -4.468 1.00 0.00 C flip ATOM 934 CE1 HIS A 55 5.724 -3.423 -3.213 1.00 0.00 C flip ATOM 935 NE2 HIS A 55 6.438 -2.472 -3.774 1.00 0.00 N flip ATOM 0 H HIS A 55 1.012 -0.607 -5.771 1.00 0.00 H new ATOM 0 HA HIS A 55 1.702 -2.151 -3.635 1.00 0.00 H new ATOM 0 HB2 HIS A 55 2.911 -1.811 -5.879 1.00 0.00 H new ATOM 0 HB3 HIS A 55 3.529 -0.295 -5.252 1.00 0.00 H new ATOM 0 HD2 HIS A 55 6.007 -0.741 -5.020 1.00 0.00 H new ATOM 0 HE1 HIS A 55 6.083 -4.240 -2.604 1.00 0.00 H new ATOM 0 HE2 HIS A 55 7.452 -2.397 -3.696 1.00 0.00 H new ATOM 943 N ILE A 56 1.446 -0.679 -1.764 1.00 0.00 N ATOM 944 CA ILE A 56 1.367 -0.258 -0.392 1.00 0.00 C ATOM 945 C ILE A 56 1.909 -1.409 0.399 1.00 0.00 C ATOM 946 O ILE A 56 1.587 -2.554 0.109 1.00 0.00 O ATOM 947 CB ILE A 56 -0.075 -0.072 0.011 1.00 0.00 C ATOM 948 CG1 ILE A 56 -0.602 1.138 -0.770 1.00 0.00 C ATOM 949 CG2 ILE A 56 -0.331 0.134 1.533 1.00 0.00 C ATOM 950 CD1 ILE A 56 -2.054 1.275 -0.402 1.00 0.00 C ATOM 0 H ILE A 56 0.687 -1.332 -1.956 1.00 0.00 H new ATOM 0 HA ILE A 56 1.904 0.677 -0.233 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.596 -1.000 -0.223 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.048 2.040 -0.511 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.485 0.990 -1.843 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.400 0.257 1.709 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.029 -0.735 2.083 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.198 1.024 1.874 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.485 2.125 -0.931 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.587 0.366 -0.681 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.144 1.433 0.673 1.00 0.00 H new ATOM 962 N HIS A 57 2.678 -1.131 1.465 1.00 0.00 N ATOM 963 CA HIS A 57 3.094 -2.137 2.425 1.00 0.00 C ATOM 964 C HIS A 57 2.295 -1.873 3.710 1.00 0.00 C ATOM 965 O HIS A 57 1.812 -0.764 3.921 1.00 0.00 O ATOM 966 CB HIS A 57 4.617 -2.068 2.690 1.00 0.00 C ATOM 967 CG HIS A 57 5.230 -3.412 3.014 1.00 0.00 C ATOM 968 ND1 HIS A 57 4.645 -4.614 3.288 1.00 0.00 N flip ATOM 969 CD2 HIS A 57 6.586 -3.616 3.174 1.00 0.00 C flip ATOM 970 CE1 HIS A 57 5.596 -5.541 3.662 1.00 0.00 C flip ATOM 971 NE2 HIS A 57 6.748 -4.908 3.557 1.00 0.00 N flip ATOM 0 H HIS A 57 3.024 -0.195 1.676 1.00 0.00 H new ATOM 0 HA HIS A 57 2.899 -3.139 2.043 1.00 0.00 H new ATOM 0 HB2 HIS A 57 5.113 -1.652 1.813 1.00 0.00 H new ATOM 0 HB3 HIS A 57 4.804 -1.382 3.517 1.00 0.00 H new ATOM 0 HD2 HIS A 57 7.368 -2.887 3.023 1.00 0.00 H new ATOM 0 HE1 HIS A 57 5.433 -6.562 3.973 1.00 0.00 H new ATOM 0 HE2 HIS A 57 7.654 -5.339 3.742 1.00 0.00 H new ATOM 979 N MET A 58 2.180 -2.861 4.642 1.00 0.00 N ATOM 980 CA MET A 58 1.446 -2.946 5.936 1.00 0.00 C ATOM 981 C MET A 58 1.680 -1.817 6.920 1.00 0.00 C ATOM 982 O MET A 58 0.907 -1.460 7.798 1.00 0.00 O ATOM 983 CB MET A 58 1.963 -4.267 6.591 1.00 0.00 C ATOM 984 CG MET A 58 1.166 -4.988 7.682 1.00 0.00 C ATOM 985 SD MET A 58 -0.638 -4.833 7.641 1.00 0.00 S ATOM 986 CE MET A 58 -0.538 -4.038 9.221 1.00 0.00 C ATOM 0 H MET A 58 2.671 -3.740 4.477 1.00 0.00 H new ATOM 0 HA MET A 58 0.379 -2.898 5.718 1.00 0.00 H new ATOM 0 HB2 MET A 58 2.112 -4.983 5.783 1.00 0.00 H new ATOM 0 HB3 MET A 58 2.946 -4.049 7.009 1.00 0.00 H new ATOM 0 HG2 MET A 58 1.414 -6.048 7.634 1.00 0.00 H new ATOM 0 HG3 MET A 58 1.513 -4.623 8.649 1.00 0.00 H new ATOM 0 HE1 MET A 58 -1.406 -4.312 9.821 1.00 0.00 H new ATOM 0 HE2 MET A 58 0.371 -4.356 9.731 1.00 0.00 H new ATOM 0 HE3 MET A 58 -0.518 -2.957 9.084 1.00 0.00 H new ATOM 996 N ASN A 59 2.864 -1.261 6.699 1.00 0.00 N ATOM 997 CA ASN A 59 3.638 -0.255 7.352 1.00 0.00 C ATOM 998 C ASN A 59 3.132 1.171 6.961 1.00 0.00 C ATOM 999 O ASN A 59 3.287 2.140 7.703 1.00 0.00 O ATOM 1000 CB ASN A 59 5.105 -0.720 6.997 1.00 0.00 C ATOM 1001 CG ASN A 59 5.214 -2.273 7.186 1.00 0.00 C ATOM 1002 OD1 ASN A 59 5.204 -3.070 6.067 1.00 0.00 O flip ATOM 1003 ND2 ASN A 59 5.184 -2.772 8.312 1.00 0.00 N flip ATOM 0 H ASN A 59 3.389 -1.589 5.888 1.00 0.00 H new ATOM 0 HA ASN A 59 3.565 -0.154 8.435 1.00 0.00 H new ATOM 0 HB2 ASN A 59 5.346 -0.449 5.969 1.00 0.00 H new ATOM 0 HB3 ASN A 59 5.825 -0.212 7.638 1.00 0.00 H new ATOM 0 HD21 ASN A 59 5.192 -2.171 9.136 1.00 0.00 H new ATOM 0 HD22 ASN A 59 5.151 -3.786 8.420 1.00 0.00 H new ATOM 1010 N ALA A 60 2.393 1.274 5.796 1.00 0.00 N ATOM 1011 CA ALA A 60 1.623 2.435 5.307 1.00 0.00 C ATOM 1012 C ALA A 60 0.137 2.343 5.716 1.00 0.00 C ATOM 1013 O ALA A 60 -0.763 2.515 4.892 1.00 0.00 O ATOM 1014 CB ALA A 60 1.659 2.527 3.751 1.00 0.00 C ATOM 0 H ALA A 60 2.330 0.488 5.149 1.00 0.00 H new ATOM 0 HA ALA A 60 2.089 3.313 5.755 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.083 3.392 3.424 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.691 2.631 3.416 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.228 1.622 3.323 1.00 0.00 H new ATOM 1020 N THR A 61 -0.138 2.025 7.002 1.00 0.00 N ATOM 1021 CA THR A 61 -1.455 1.815 7.600 1.00 0.00 C ATOM 1022 C THR A 61 -1.317 2.335 9.033 1.00 0.00 C ATOM 1023 O THR A 61 -0.195 2.584 9.469 1.00 0.00 O ATOM 1024 CB THR A 61 -1.950 0.340 7.584 1.00 0.00 C ATOM 1025 OG1 THR A 61 -1.349 -0.503 8.569 1.00 0.00 O ATOM 1026 CG2 THR A 61 -1.762 -0.374 6.228 1.00 0.00 C ATOM 0 H THR A 61 0.610 1.903 7.685 1.00 0.00 H new ATOM 0 HA THR A 61 -2.213 2.338 7.018 1.00 0.00 H new ATOM 0 HB THR A 61 -3.010 0.469 7.804 1.00 0.00 H new ATOM 0 HG1 THR A 61 -0.562 -0.944 8.186 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.132 -1.397 6.301 1.00 0.00 H new ATOM 0 HG22 THR A 61 -2.318 0.159 5.456 1.00 0.00 H new ATOM 0 HG23 THR A 61 -0.704 -0.389 5.968 1.00 0.00 H new ATOM 1034 N GLN A 62 -2.422 2.442 9.843 1.00 0.00 N ATOM 1035 CA GLN A 62 -2.418 2.905 11.241 1.00 0.00 C ATOM 1036 C GLN A 62 -2.275 1.752 12.239 1.00 0.00 C ATOM 1037 O GLN A 62 -2.257 1.888 13.466 1.00 0.00 O ATOM 1038 CB GLN A 62 -3.656 3.824 11.492 1.00 0.00 C ATOM 1039 CG GLN A 62 -4.850 3.342 12.359 1.00 0.00 C ATOM 1040 CD GLN A 62 -5.566 2.150 11.737 1.00 0.00 C ATOM 1041 OE1 GLN A 62 -5.214 1.704 10.640 1.00 0.00 O ATOM 1042 NE2 GLN A 62 -6.625 1.654 12.433 1.00 0.00 N ATOM 0 H GLN A 62 -3.356 2.197 9.515 1.00 0.00 H new ATOM 0 HA GLN A 62 -1.529 3.512 11.415 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -3.284 4.743 11.945 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -4.059 4.090 10.515 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.490 3.071 13.352 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -5.557 4.161 12.489 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -6.876 2.057 13.336 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.168 0.879 12.052 1.00 0.00 H new ATOM 1051 N TRP A 63 -2.143 0.540 11.661 1.00 0.00 N ATOM 1052 CA TRP A 63 -1.921 -0.728 12.304 1.00 0.00 C ATOM 1053 C TRP A 63 -0.406 -0.956 12.303 1.00 0.00 C ATOM 1054 O TRP A 63 0.204 -1.223 11.271 1.00 0.00 O ATOM 1055 CB TRP A 63 -2.664 -1.893 11.564 1.00 0.00 C ATOM 1056 CG TRP A 63 -4.119 -1.641 11.142 1.00 0.00 C ATOM 1057 CD1 TRP A 63 -5.199 -1.403 11.944 1.00 0.00 C ATOM 1058 CD2 TRP A 63 -4.644 -1.698 9.787 1.00 0.00 C ATOM 1059 NE1 TRP A 63 -6.342 -1.272 11.179 1.00 0.00 N ATOM 1060 CE2 TRP A 63 -6.005 -1.443 9.856 1.00 0.00 C ATOM 1061 CE3 TRP A 63 -4.065 -1.968 8.577 1.00 0.00 C ATOM 1062 CZ2 TRP A 63 -6.774 -1.429 8.729 1.00 0.00 C ATOM 1063 CZ3 TRP A 63 -4.834 -1.885 7.426 1.00 0.00 C ATOM 1064 CH2 TRP A 63 -6.191 -1.621 7.490 1.00 0.00 C ATOM 0 H TRP A 63 -2.197 0.438 10.647 1.00 0.00 H new ATOM 0 HA TRP A 63 -2.319 -0.716 13.319 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -2.092 -2.145 10.671 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -2.647 -2.770 12.211 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -5.164 -1.328 13.021 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -7.278 -1.081 11.535 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -3.022 -2.242 8.519 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -7.839 -1.268 8.805 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -4.366 -2.029 6.463 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -6.784 -1.566 6.589 1.00 0.00 H new ATOM 1075 N GLU A 64 0.246 -0.860 13.489 1.00 0.00 N ATOM 1076 CA GLU A 64 1.694 -0.995 13.691 1.00 0.00 C ATOM 1077 C GLU A 64 2.244 -2.413 13.602 1.00 0.00 C ATOM 1078 O GLU A 64 3.448 -2.648 13.551 1.00 0.00 O ATOM 1079 CB GLU A 64 2.122 -0.334 15.017 1.00 0.00 C ATOM 1080 CG GLU A 64 1.390 -0.961 16.197 1.00 0.00 C ATOM 1081 CD GLU A 64 1.598 -0.152 17.470 1.00 0.00 C ATOM 1082 OE1 GLU A 64 2.773 -0.029 17.911 1.00 0.00 O ATOM 1083 OE2 GLU A 64 0.585 0.354 18.024 1.00 0.00 O ATOM 0 H GLU A 64 -0.252 -0.679 14.361 1.00 0.00 H new ATOM 0 HA GLU A 64 2.138 -0.472 12.844 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.198 -0.443 15.152 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.912 0.735 14.980 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.325 -1.025 15.974 1.00 0.00 H new ATOM 0 HG3 GLU A 64 1.746 -1.980 16.349 1.00 0.00 H new ATOM 1090 N THR A 65 1.317 -3.391 13.614 1.00 0.00 N ATOM 1091 CA THR A 65 1.545 -4.818 13.561 1.00 0.00 C ATOM 1092 C THR A 65 0.467 -5.341 12.622 1.00 0.00 C ATOM 1093 O THR A 65 -0.586 -4.718 12.508 1.00 0.00 O ATOM 1094 CB THR A 65 1.441 -5.480 14.955 1.00 0.00 C ATOM 1095 OG1 THR A 65 0.218 -5.177 15.627 1.00 0.00 O ATOM 1096 CG2 THR A 65 2.575 -4.970 15.861 1.00 0.00 C ATOM 0 H THR A 65 0.322 -3.171 13.665 1.00 0.00 H new ATOM 0 HA THR A 65 2.552 -5.050 13.214 1.00 0.00 H new ATOM 0 HB THR A 65 1.499 -6.554 14.780 1.00 0.00 H new ATOM 0 HG1 THR A 65 0.206 -5.622 16.500 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.497 -5.440 16.841 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.538 -5.220 15.415 1.00 0.00 H new ATOM 0 HG23 THR A 65 2.495 -3.888 15.970 1.00 0.00 H new ATOM 1104 N LEU A 66 0.643 -6.519 11.950 1.00 0.00 N ATOM 1105 CA LEU A 66 -0.314 -7.215 11.056 1.00 0.00 C ATOM 1106 C LEU A 66 -1.568 -7.701 11.797 1.00 0.00 C ATOM 1107 O LEU A 66 -2.670 -7.738 11.261 1.00 0.00 O ATOM 1108 CB LEU A 66 0.462 -8.378 10.375 1.00 0.00 C ATOM 1109 CG LEU A 66 -0.057 -9.105 9.092 1.00 0.00 C ATOM 1110 CD1 LEU A 66 0.350 -8.430 7.772 1.00 0.00 C ATOM 1111 CD2 LEU A 66 -1.550 -9.431 9.018 1.00 0.00 C ATOM 0 H LEU A 66 1.519 -7.036 12.029 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.695 -6.524 10.304 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.452 -7.991 10.134 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.597 -9.148 11.135 1.00 0.00 H new ATOM 0 HG LEU A 66 0.464 -10.055 9.211 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.051 -8.999 6.933 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.047 -7.415 7.745 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.437 -8.396 7.701 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.766 -9.933 8.075 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.821 -10.084 9.848 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.127 -8.508 9.079 1.00 0.00 H new ATOM 1123 N THR A 67 -1.382 -7.998 13.111 1.00 0.00 N ATOM 1124 CA THR A 67 -2.225 -8.433 14.207 1.00 0.00 C ATOM 1125 C THR A 67 -3.321 -7.451 14.488 1.00 0.00 C ATOM 1126 O THR A 67 -4.457 -7.874 14.608 1.00 0.00 O ATOM 1127 CB THR A 67 -1.382 -8.657 15.462 1.00 0.00 C ATOM 1128 OG1 THR A 67 -0.330 -9.558 15.148 1.00 0.00 O ATOM 1129 CG2 THR A 67 -2.227 -9.282 16.579 1.00 0.00 C ATOM 0 H THR A 67 -0.431 -7.910 13.469 1.00 0.00 H new ATOM 0 HA THR A 67 -2.692 -9.373 13.913 1.00 0.00 H new ATOM 0 HB THR A 67 -0.994 -7.696 15.799 1.00 0.00 H new ATOM 0 HG1 THR A 67 -0.691 -10.465 15.064 1.00 0.00 H new ATOM 0 HG21 THR A 67 -1.607 -9.433 17.463 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.054 -8.616 16.825 1.00 0.00 H new ATOM 0 HG23 THR A 67 -2.621 -10.242 16.244 1.00 0.00 H new ATOM 1137 N ASP A 68 -3.038 -6.124 14.510 1.00 0.00 N ATOM 1138 CA ASP A 68 -3.990 -5.026 14.695 1.00 0.00 C ATOM 1139 C ASP A 68 -4.917 -4.752 13.520 1.00 0.00 C ATOM 1140 O ASP A 68 -6.036 -4.274 13.688 1.00 0.00 O ATOM 1141 CB ASP A 68 -3.262 -3.717 15.129 1.00 0.00 C ATOM 1142 CG ASP A 68 -4.073 -2.925 16.159 1.00 0.00 C ATOM 1143 OD1 ASP A 68 -4.348 -3.486 17.254 1.00 0.00 O ATOM 1144 OD2 ASP A 68 -4.427 -1.752 15.860 1.00 0.00 O ATOM 0 H ASP A 68 -2.083 -5.784 14.392 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.644 -5.374 15.494 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.287 -3.966 15.549 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.082 -3.094 14.253 1.00 0.00 H new ATOM 1149 N PHE A 69 -4.447 -5.113 12.298 1.00 0.00 N ATOM 1150 CA PHE A 69 -5.167 -5.084 11.026 1.00 0.00 C ATOM 1151 C PHE A 69 -6.163 -6.242 10.980 1.00 0.00 C ATOM 1152 O PHE A 69 -7.305 -6.095 10.552 1.00 0.00 O ATOM 1153 CB PHE A 69 -4.109 -5.093 9.892 1.00 0.00 C ATOM 1154 CG PHE A 69 -4.564 -5.445 8.500 1.00 0.00 C ATOM 1155 CD1 PHE A 69 -5.773 -5.026 7.972 1.00 0.00 C ATOM 1156 CD2 PHE A 69 -3.778 -6.309 7.773 1.00 0.00 C ATOM 1157 CE1 PHE A 69 -6.226 -5.552 6.783 1.00 0.00 C ATOM 1158 CE2 PHE A 69 -4.215 -6.813 6.573 1.00 0.00 C ATOM 1159 CZ PHE A 69 -5.458 -6.472 6.094 1.00 0.00 C ATOM 0 H PHE A 69 -3.492 -5.452 12.182 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.768 -4.183 10.901 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -3.653 -4.104 9.854 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -3.324 -5.795 10.174 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -6.362 -4.286 8.493 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -2.807 -6.594 8.150 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -7.183 -5.245 6.388 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -3.582 -7.478 6.005 1.00 0.00 H new ATOM 0 HZ PHE A 69 -5.832 -6.920 5.185 1.00 0.00 H new ATOM 1169 N THR A 70 -5.737 -7.400 11.540 1.00 0.00 N ATOM 1170 CA THR A 70 -6.524 -8.609 11.762 1.00 0.00 C ATOM 1171 C THR A 70 -7.537 -8.397 12.886 1.00 0.00 C ATOM 1172 O THR A 70 -8.674 -8.852 12.800 1.00 0.00 O ATOM 1173 CB THR A 70 -5.648 -9.832 11.893 1.00 0.00 C ATOM 1174 OG1 THR A 70 -4.460 -9.566 12.571 1.00 0.00 O ATOM 1175 CG2 THR A 70 -5.272 -10.321 10.486 1.00 0.00 C ATOM 0 H THR A 70 -4.776 -7.508 11.864 1.00 0.00 H new ATOM 0 HA THR A 70 -7.126 -8.816 10.877 1.00 0.00 H new ATOM 0 HB THR A 70 -6.212 -10.576 12.456 1.00 0.00 H new ATOM 0 HG1 THR A 70 -4.663 -9.272 13.484 1.00 0.00 H new ATOM 0 HG21 THR A 70 -4.639 -11.205 10.565 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.178 -10.572 9.934 1.00 0.00 H new ATOM 0 HG23 THR A 70 -4.732 -9.534 9.959 1.00 0.00 H new ATOM 1183 N LYS A 71 -7.163 -7.583 13.929 1.00 0.00 N ATOM 1184 CA LYS A 71 -8.135 -7.074 14.933 1.00 0.00 C ATOM 1185 C LYS A 71 -9.265 -6.141 14.385 1.00 0.00 C ATOM 1186 O LYS A 71 -10.399 -6.224 14.841 1.00 0.00 O ATOM 1187 CB LYS A 71 -7.503 -6.369 16.182 1.00 0.00 C ATOM 1188 CG LYS A 71 -6.433 -7.160 16.969 1.00 0.00 C ATOM 1189 CD LYS A 71 -6.779 -8.642 17.158 1.00 0.00 C ATOM 1190 CE LYS A 71 -5.691 -9.537 17.769 1.00 0.00 C ATOM 1191 NZ LYS A 71 -6.269 -10.816 18.247 1.00 0.00 N ATOM 0 H LYS A 71 -6.204 -7.274 14.086 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.584 -8.019 15.240 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.056 -5.431 15.851 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.309 -6.113 16.870 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -5.479 -7.082 16.447 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.300 -6.699 17.948 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.665 -8.706 17.790 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.051 -9.054 16.186 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.919 -9.737 17.026 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -5.210 -9.018 18.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.506 -11.440 18.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -6.927 -10.628 19.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.780 -11.278 17.468 1.00 0.00 H new ATOM 1205 N TRP A 72 -8.969 -5.253 13.387 1.00 0.00 N ATOM 1206 CA TRP A 72 -9.893 -4.311 12.723 1.00 0.00 C ATOM 1207 C TRP A 72 -10.753 -4.952 11.623 1.00 0.00 C ATOM 1208 O TRP A 72 -11.961 -4.790 11.578 1.00 0.00 O ATOM 1209 CB TRP A 72 -9.132 -3.052 12.183 1.00 0.00 C ATOM 1210 CG TRP A 72 -9.938 -1.984 11.418 1.00 0.00 C ATOM 1211 CD1 TRP A 72 -10.626 -0.892 11.866 1.00 0.00 C ATOM 1212 CD2 TRP A 72 -10.107 -2.007 9.987 1.00 0.00 C ATOM 1213 NE1 TRP A 72 -11.193 -0.220 10.802 1.00 0.00 N ATOM 1214 CE2 TRP A 72 -10.871 -0.897 9.633 1.00 0.00 C ATOM 1215 CE3 TRP A 72 -9.639 -2.869 9.039 1.00 0.00 C ATOM 1216 CZ2 TRP A 72 -11.162 -0.631 8.313 1.00 0.00 C ATOM 1217 CZ3 TRP A 72 -9.892 -2.582 7.720 1.00 0.00 C ATOM 1218 CH2 TRP A 72 -10.645 -1.486 7.346 1.00 0.00 C ATOM 0 H TRP A 72 -8.023 -5.181 13.012 1.00 0.00 H new ATOM 0 HA TRP A 72 -10.591 -3.992 13.497 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -8.654 -2.563 13.032 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -8.335 -3.401 11.526 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -10.713 -0.598 12.901 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -11.754 0.630 10.864 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -9.085 -3.753 9.318 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -11.773 0.216 8.038 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -9.492 -3.230 6.955 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -10.833 -1.293 6.300 1.00 0.00 H new ATOM 1229 N LEU A 73 -10.142 -5.709 10.685 1.00 0.00 N ATOM 1230 CA LEU A 73 -10.726 -6.447 9.564 1.00 0.00 C ATOM 1231 C LEU A 73 -11.627 -7.594 10.008 1.00 0.00 C ATOM 1232 O LEU A 73 -12.688 -7.851 9.425 1.00 0.00 O ATOM 1233 CB LEU A 73 -9.603 -6.704 8.552 1.00 0.00 C ATOM 1234 CG LEU A 73 -9.868 -7.650 7.361 1.00 0.00 C ATOM 1235 CD1 LEU A 73 -10.403 -6.767 6.267 1.00 0.00 C ATOM 1236 CD2 LEU A 73 -8.554 -8.294 6.880 1.00 0.00 C ATOM 0 H LEU A 73 -9.129 -5.824 10.704 1.00 0.00 H new ATOM 0 HA LEU A 73 -11.473 -5.873 9.015 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -9.301 -5.739 8.144 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.749 -7.099 9.102 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.554 -8.451 7.636 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.616 -7.370 5.384 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -11.319 -6.283 6.605 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.662 -6.007 6.018 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -8.760 -8.958 6.040 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -7.861 -7.514 6.565 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -8.110 -8.867 7.694 1.00 0.00 H new ATOM 1248 N GLY A 74 -11.191 -8.191 11.167 1.00 0.00 N ATOM 1249 CA GLY A 74 -11.953 -9.036 12.095 1.00 0.00 C ATOM 1250 C GLY A 74 -13.143 -8.379 12.767 1.00 0.00 C ATOM 1251 O GLY A 74 -14.132 -9.041 13.058 1.00 0.00 O ATOM 0 H GLY A 74 -10.227 -8.073 11.480 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -12.306 -9.912 11.551 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -11.275 -9.394 12.870 1.00 0.00 H new ATOM 1255 N ARG A 75 -13.058 -7.042 13.002 1.00 0.00 N ATOM 1256 CA ARG A 75 -14.090 -6.180 13.594 1.00 0.00 C ATOM 1257 C ARG A 75 -15.133 -5.663 12.630 1.00 0.00 C ATOM 1258 O ARG A 75 -16.324 -5.667 12.927 1.00 0.00 O ATOM 1259 CB ARG A 75 -13.423 -4.997 14.312 1.00 0.00 C ATOM 1260 CG ARG A 75 -14.294 -4.130 15.236 1.00 0.00 C ATOM 1261 CD ARG A 75 -14.761 -2.821 14.569 1.00 0.00 C ATOM 1262 NE ARG A 75 -15.406 -1.948 15.609 1.00 0.00 N ATOM 1263 CZ ARG A 75 -15.914 -0.708 15.330 1.00 0.00 C ATOM 1264 NH1 ARG A 75 -15.856 -0.195 14.065 1.00 0.00 N ATOM 1265 NH2 ARG A 75 -16.484 0.026 16.330 1.00 0.00 N ATOM 0 H ARG A 75 -12.216 -6.518 12.766 1.00 0.00 H new ATOM 0 HA ARG A 75 -14.633 -6.819 14.291 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -12.596 -5.389 14.904 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -12.991 -4.346 13.552 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -15.167 -4.704 15.548 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -13.731 -3.891 16.138 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -13.914 -2.305 14.117 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -15.467 -3.037 13.768 1.00 0.00 H new ATOM 0 HE ARG A 75 -15.468 -2.295 16.566 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -15.430 -0.738 13.314 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -16.239 0.731 13.872 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -16.529 -0.350 17.277 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -16.865 0.951 16.130 1.00 0.00 H new ATOM 1279 N GLU A 76 -14.689 -5.176 11.436 1.00 0.00 N ATOM 1280 CA GLU A 76 -15.481 -4.586 10.356 1.00 0.00 C ATOM 1281 C GLU A 76 -16.386 -5.571 9.655 1.00 0.00 C ATOM 1282 O GLU A 76 -17.345 -5.183 8.991 1.00 0.00 O ATOM 1283 CB GLU A 76 -14.566 -4.001 9.247 1.00 0.00 C ATOM 1284 CG GLU A 76 -13.732 -2.795 9.694 1.00 0.00 C ATOM 1285 CD GLU A 76 -14.611 -1.564 9.907 1.00 0.00 C ATOM 1286 OE1 GLU A 76 -15.248 -1.109 8.921 1.00 0.00 O ATOM 1287 OE2 GLU A 76 -14.652 -1.059 11.062 1.00 0.00 O ATOM 0 H GLU A 76 -13.696 -5.194 11.203 1.00 0.00 H new ATOM 0 HA GLU A 76 -16.079 -3.822 10.852 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -13.894 -4.784 8.896 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -15.184 -3.707 8.399 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -13.207 -3.035 10.619 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -12.972 -2.577 8.944 1.00 0.00 H new ATOM 1294 N GLY A 77 -16.068 -6.883 9.809 1.00 0.00 N ATOM 1295 CA GLY A 77 -16.886 -7.943 9.253 1.00 0.00 C ATOM 1296 C GLY A 77 -16.523 -8.321 7.851 1.00 0.00 C ATOM 1297 O GLY A 77 -17.355 -8.864 7.133 1.00 0.00 O ATOM 0 H GLY A 77 -15.247 -7.211 10.317 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -16.802 -8.824 9.889 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -17.930 -7.632 9.276 1.00 0.00 H new ATOM 1301 N LEU A 78 -15.246 -8.100 7.421 1.00 0.00 N ATOM 1302 CA LEU A 78 -14.788 -8.583 6.115 1.00 0.00 C ATOM 1303 C LEU A 78 -14.063 -9.877 6.274 1.00 0.00 C ATOM 1304 O LEU A 78 -14.230 -10.732 5.432 1.00 0.00 O ATOM 1305 CB LEU A 78 -13.955 -7.631 5.225 1.00 0.00 C ATOM 1306 CG LEU A 78 -14.620 -6.246 5.131 1.00 0.00 C ATOM 1307 CD1 LEU A 78 -13.651 -5.148 4.698 1.00 0.00 C ATOM 1308 CD2 LEU A 78 -15.858 -6.291 4.224 1.00 0.00 C ATOM 0 H LEU A 78 -14.540 -7.599 7.960 1.00 0.00 H new ATOM 0 HA LEU A 78 -15.722 -8.685 5.562 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -12.950 -7.529 5.635 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -13.851 -8.057 4.227 1.00 0.00 H new ATOM 0 HG LEU A 78 -14.943 -5.986 6.139 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -14.178 -4.195 4.650 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -12.837 -5.076 5.419 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -13.245 -5.388 3.715 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -16.309 -5.300 4.175 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -15.564 -6.606 3.223 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -16.581 -6.999 4.630 1.00 0.00 H new ATOM 1320 N CYS A 79 -13.253 -10.103 7.329 1.00 0.00 N ATOM 1321 CA CYS A 79 -12.555 -11.392 7.517 1.00 0.00 C ATOM 1322 C CYS A 79 -12.627 -11.972 8.923 1.00 0.00 C ATOM 1323 O CYS A 79 -12.664 -11.221 9.884 1.00 0.00 O ATOM 1324 CB CYS A 79 -11.068 -11.276 7.116 1.00 0.00 C ATOM 1325 SG CYS A 79 -10.737 -10.505 5.491 1.00 0.00 S ATOM 0 H CYS A 79 -13.067 -9.415 8.059 1.00 0.00 H new ATOM 0 HA CYS A 79 -13.093 -12.080 6.865 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -10.549 -10.700 7.882 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -10.632 -12.275 7.118 1.00 0.00 H new ATOM 0 HG CYS A 79 -11.544 -9.502 5.314 1.00 0.00 H new ATOM 1331 N LYS A 80 -12.600 -13.327 9.094 1.00 0.00 N ATOM 1332 CA LYS A 80 -12.569 -14.012 10.389 1.00 0.00 C ATOM 1333 C LYS A 80 -11.200 -14.614 10.673 1.00 0.00 C ATOM 1334 O LYS A 80 -10.729 -15.489 9.966 1.00 0.00 O ATOM 1335 CB LYS A 80 -13.595 -15.167 10.468 1.00 0.00 C ATOM 1336 CG LYS A 80 -15.013 -14.672 10.183 1.00 0.00 C ATOM 1337 CD LYS A 80 -16.108 -15.697 10.494 1.00 0.00 C ATOM 1338 CE LYS A 80 -16.790 -15.519 11.861 1.00 0.00 C ATOM 1339 NZ LYS A 80 -15.852 -15.739 12.987 1.00 0.00 N ATOM 0 H LYS A 80 -12.600 -13.974 8.305 1.00 0.00 H new ATOM 0 HA LYS A 80 -12.813 -13.245 11.124 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -13.328 -15.943 9.751 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -13.558 -15.621 11.458 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -15.196 -13.771 10.769 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -15.083 -14.389 9.133 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -16.868 -15.643 9.715 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -15.674 -16.696 10.448 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -17.207 -14.514 11.929 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -17.623 -16.217 11.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -16.355 -15.609 13.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -15.473 -16.706 12.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -15.069 -15.057 12.925 1.00 0.00 H new ATOM 1353 N VAL A 81 -10.490 -14.175 11.726 1.00 0.00 N ATOM 1354 CA VAL A 81 -9.124 -14.547 12.003 1.00 0.00 C ATOM 1355 C VAL A 81 -8.882 -15.632 13.046 1.00 0.00 C ATOM 1356 O VAL A 81 -9.613 -15.835 14.016 1.00 0.00 O ATOM 1357 CB VAL A 81 -8.374 -13.302 12.462 1.00 0.00 C ATOM 1358 CG1 VAL A 81 -9.243 -12.370 13.332 1.00 0.00 C ATOM 1359 CG2 VAL A 81 -7.825 -12.527 11.266 1.00 0.00 C ATOM 0 H VAL A 81 -10.877 -13.534 12.418 1.00 0.00 H new ATOM 0 HA VAL A 81 -8.774 -14.976 11.064 1.00 0.00 H new ATOM 0 HB VAL A 81 -7.547 -13.652 13.080 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -8.658 -11.500 13.630 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -10.112 -12.044 12.760 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -9.574 -12.906 14.221 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.294 -11.643 11.618 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -7.140 -13.162 10.704 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.649 -12.222 10.621 1.00 0.00 H new ATOM 1369 N ASP A 82 -7.710 -16.278 12.833 1.00 0.00 N ATOM 1370 CA ASP A 82 -7.118 -17.294 13.710 1.00 0.00 C ATOM 1371 C ASP A 82 -5.583 -17.223 13.650 1.00 0.00 C ATOM 1372 O ASP A 82 -5.009 -16.875 12.620 1.00 0.00 O ATOM 1373 CB ASP A 82 -7.608 -18.731 13.319 1.00 0.00 C ATOM 1374 CG ASP A 82 -7.308 -19.793 14.388 1.00 0.00 C ATOM 1375 OD1 ASP A 82 -7.822 -19.645 15.527 1.00 0.00 O ATOM 1376 OD2 ASP A 82 -6.562 -20.759 14.074 1.00 0.00 O ATOM 0 H ASP A 82 -7.136 -16.092 12.011 1.00 0.00 H new ATOM 0 HA ASP A 82 -7.443 -17.089 14.730 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -8.682 -18.703 13.138 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -7.134 -19.026 12.383 1.00 0.00 H new ATOM 1381 N GLU A 83 -4.859 -17.593 14.750 1.00 0.00 N ATOM 1382 CA GLU A 83 -3.404 -17.666 14.775 1.00 0.00 C ATOM 1383 C GLU A 83 -2.964 -19.101 15.056 1.00 0.00 C ATOM 1384 O GLU A 83 -3.550 -19.834 15.857 1.00 0.00 O ATOM 1385 CB GLU A 83 -2.728 -16.639 15.716 1.00 0.00 C ATOM 1386 CG GLU A 83 -1.216 -16.482 15.427 1.00 0.00 C ATOM 1387 CD GLU A 83 -0.584 -15.372 16.264 1.00 0.00 C ATOM 1388 OE1 GLU A 83 -1.283 -14.787 17.135 1.00 0.00 O ATOM 1389 OE2 GLU A 83 0.626 -15.098 16.040 1.00 0.00 O ATOM 0 H GLU A 83 -5.292 -17.846 15.638 1.00 0.00 H new ATOM 0 HA GLU A 83 -3.054 -17.377 13.784 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -3.219 -15.672 15.607 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -2.867 -16.952 16.751 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.708 -17.424 15.632 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -1.070 -16.265 14.369 1.00 0.00 H new ATOM 1396 N THR A 84 -1.901 -19.493 14.307 1.00 0.00 N ATOM 1397 CA THR A 84 -1.256 -20.791 14.196 1.00 0.00 C ATOM 1398 C THR A 84 0.193 -20.706 14.571 1.00 0.00 C ATOM 1399 O THR A 84 0.723 -19.609 14.748 1.00 0.00 O ATOM 1400 CB THR A 84 -1.264 -21.251 12.707 1.00 0.00 C ATOM 1401 OG1 THR A 84 -0.497 -20.452 11.809 1.00 0.00 O ATOM 1402 CG2 THR A 84 -2.684 -21.223 12.129 1.00 0.00 C ATOM 0 H THR A 84 -1.436 -18.815 13.704 1.00 0.00 H new ATOM 0 HA THR A 84 -1.796 -21.474 14.852 1.00 0.00 H new ATOM 0 HB THR A 84 -0.827 -22.248 12.766 1.00 0.00 H new ATOM 0 HG1 THR A 84 -0.630 -19.504 12.019 1.00 0.00 H new ATOM 0 HG21 THR A 84 -2.660 -21.549 11.089 1.00 0.00 H new ATOM 0 HG22 THR A 84 -3.324 -21.892 12.704 1.00 0.00 H new ATOM 0 HG23 THR A 84 -3.079 -20.208 12.183 1.00 0.00 H new ATOM 1410 N PRO A 85 0.898 -21.860 14.603 1.00 0.00 N ATOM 1411 CA PRO A 85 2.340 -21.882 14.663 1.00 0.00 C ATOM 1412 C PRO A 85 3.132 -21.364 13.442 1.00 0.00 C ATOM 1413 O PRO A 85 4.349 -21.239 13.561 1.00 0.00 O ATOM 1414 CB PRO A 85 2.664 -23.350 14.978 1.00 0.00 C ATOM 1415 CG PRO A 85 1.374 -23.983 15.491 1.00 0.00 C ATOM 1416 CD PRO A 85 0.340 -23.219 14.687 1.00 0.00 C ATOM 0 HA PRO A 85 2.668 -21.160 15.411 1.00 0.00 H new ATOM 0 HB2 PRO A 85 3.021 -23.867 14.088 1.00 0.00 H new ATOM 0 HB3 PRO A 85 3.454 -23.420 15.726 1.00 0.00 H new ATOM 0 HG2 PRO A 85 1.336 -25.055 15.300 1.00 0.00 H new ATOM 0 HG3 PRO A 85 1.246 -23.846 16.565 1.00 0.00 H new ATOM 0 HD2 PRO A 85 0.199 -23.656 13.698 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -0.633 -23.223 15.179 1.00 0.00 H new ATOM 1424 N LYS A 86 2.486 -21.061 12.281 1.00 0.00 N ATOM 1425 CA LYS A 86 3.133 -20.562 11.083 1.00 0.00 C ATOM 1426 C LYS A 86 2.805 -19.095 10.801 1.00 0.00 C ATOM 1427 O LYS A 86 3.361 -18.494 9.879 1.00 0.00 O ATOM 1428 CB LYS A 86 2.699 -21.417 9.869 1.00 0.00 C ATOM 1429 CG LYS A 86 3.197 -22.863 9.985 1.00 0.00 C ATOM 1430 CD LYS A 86 3.114 -23.613 8.653 1.00 0.00 C ATOM 1431 CE LYS A 86 3.566 -25.075 8.763 1.00 0.00 C ATOM 1432 NZ LYS A 86 3.488 -25.755 7.449 1.00 0.00 N ATOM 0 H LYS A 86 1.477 -21.168 12.173 1.00 0.00 H new ATOM 0 HA LYS A 86 4.208 -20.633 11.246 1.00 0.00 H new ATOM 0 HB2 LYS A 86 1.612 -21.412 9.791 1.00 0.00 H new ATOM 0 HB3 LYS A 86 3.087 -20.971 8.953 1.00 0.00 H new ATOM 0 HG2 LYS A 86 4.229 -22.863 10.336 1.00 0.00 H new ATOM 0 HG3 LYS A 86 2.606 -23.390 10.734 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.088 -23.582 8.287 1.00 0.00 H new ATOM 0 HD3 LYS A 86 3.731 -23.101 7.914 1.00 0.00 H new ATOM 0 HE2 LYS A 86 4.589 -25.116 9.138 1.00 0.00 H new ATOM 0 HE3 LYS A 86 2.941 -25.599 9.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 3.799 -26.742 7.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 2.507 -25.734 7.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 4.104 -25.266 6.768 1.00 0.00 H new ATOM 1446 N GLY A 87 1.879 -18.485 11.588 1.00 0.00 N ATOM 1447 CA GLY A 87 1.441 -17.110 11.376 1.00 0.00 C ATOM 1448 C GLY A 87 -0.012 -16.851 11.645 1.00 0.00 C ATOM 1449 O GLY A 87 -0.731 -17.663 12.239 1.00 0.00 O ATOM 0 H GLY A 87 1.427 -18.944 12.379 1.00 0.00 H new ATOM 0 HA2 GLY A 87 2.034 -16.455 12.014 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.658 -16.832 10.345 1.00 0.00 H new ATOM 1453 N TRP A 88 -0.446 -15.663 11.129 1.00 0.00 N ATOM 1454 CA TRP A 88 -1.762 -15.023 11.139 1.00 0.00 C ATOM 1455 C TRP A 88 -2.532 -15.330 9.841 1.00 0.00 C ATOM 1456 O TRP A 88 -2.194 -14.890 8.742 1.00 0.00 O ATOM 1457 CB TRP A 88 -1.622 -13.466 11.340 1.00 0.00 C ATOM 1458 CG TRP A 88 -1.675 -13.001 12.795 1.00 0.00 C ATOM 1459 CD1 TRP A 88 -0.684 -12.771 13.704 1.00 0.00 C ATOM 1460 CD2 TRP A 88 -2.907 -12.761 13.486 1.00 0.00 C ATOM 1461 NE1 TRP A 88 -1.234 -12.439 14.936 1.00 0.00 N ATOM 1462 CE2 TRP A 88 -2.603 -12.506 14.819 1.00 0.00 C ATOM 1463 CE3 TRP A 88 -4.189 -12.739 13.045 1.00 0.00 C ATOM 1464 CZ2 TRP A 88 -3.592 -12.340 15.739 1.00 0.00 C ATOM 1465 CZ3 TRP A 88 -5.168 -12.471 13.974 1.00 0.00 C ATOM 1466 CH2 TRP A 88 -4.888 -12.299 15.305 1.00 0.00 C ATOM 0 H TRP A 88 0.221 -15.069 10.636 1.00 0.00 H new ATOM 0 HA TRP A 88 -2.328 -15.430 11.977 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -0.678 -13.141 10.903 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -2.418 -12.969 10.785 1.00 0.00 H new ATOM 0 HD1 TRP A 88 0.374 -12.837 13.496 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -0.715 -12.190 15.778 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -4.431 -12.924 12.009 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -3.358 -12.243 16.789 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -6.193 -12.393 13.643 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -5.689 -12.131 16.009 1.00 0.00 H new ATOM 1477 N TYR A 89 -3.631 -16.121 9.963 1.00 0.00 N ATOM 1478 CA TYR A 89 -4.479 -16.556 8.870 1.00 0.00 C ATOM 1479 C TYR A 89 -5.849 -15.973 9.106 1.00 0.00 C ATOM 1480 O TYR A 89 -6.358 -15.940 10.222 1.00 0.00 O ATOM 1481 CB TYR A 89 -4.623 -18.106 8.802 1.00 0.00 C ATOM 1482 CG TYR A 89 -3.308 -18.716 8.454 1.00 0.00 C ATOM 1483 CD1 TYR A 89 -3.075 -19.166 7.170 1.00 0.00 C ATOM 1484 CD2 TYR A 89 -2.297 -18.783 9.384 1.00 0.00 C ATOM 1485 CE1 TYR A 89 -1.834 -19.643 6.808 1.00 0.00 C ATOM 1486 CE2 TYR A 89 -1.033 -19.172 9.014 1.00 0.00 C ATOM 1487 CZ TYR A 89 -0.806 -19.618 7.732 1.00 0.00 C ATOM 1488 OH TYR A 89 0.474 -20.068 7.379 1.00 0.00 O ATOM 0 H TYR A 89 -3.944 -16.475 10.867 1.00 0.00 H new ATOM 0 HA TYR A 89 -4.029 -16.223 7.934 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -4.972 -18.491 9.760 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.371 -18.380 8.057 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -3.873 -19.144 6.442 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -2.499 -18.528 10.414 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -1.666 -20.032 5.814 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -0.221 -19.128 9.725 1.00 0.00 H new ATOM 0 HH TYR A 89 1.075 -19.979 8.148 1.00 0.00 H new ATOM 1498 N ILE A 90 -6.464 -15.488 8.030 1.00 0.00 N ATOM 1499 CA ILE A 90 -7.740 -14.845 7.938 1.00 0.00 C ATOM 1500 C ILE A 90 -8.559 -15.699 6.999 1.00 0.00 C ATOM 1501 O ILE A 90 -8.088 -16.112 5.942 1.00 0.00 O ATOM 1502 CB ILE A 90 -7.584 -13.395 7.410 1.00 0.00 C ATOM 1503 CG1 ILE A 90 -7.412 -13.215 5.866 1.00 0.00 C ATOM 1504 CG2 ILE A 90 -6.347 -12.770 8.065 1.00 0.00 C ATOM 1505 CD1 ILE A 90 -7.192 -11.783 5.363 1.00 0.00 C ATOM 0 H ILE A 90 -6.020 -15.551 7.114 1.00 0.00 H new ATOM 0 HA ILE A 90 -8.227 -14.759 8.910 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.530 -12.917 7.664 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.567 -13.823 5.544 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -8.299 -13.616 5.375 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -6.221 -11.749 7.705 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -6.474 -12.760 9.147 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.464 -13.356 7.809 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -7.087 -11.791 4.278 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -8.046 -11.165 5.641 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -6.287 -11.375 5.812 1.00 0.00 H new ATOM 1517 N GLN A 91 -9.833 -15.963 7.309 1.00 0.00 N ATOM 1518 CA GLN A 91 -10.760 -16.612 6.425 1.00 0.00 C ATOM 1519 C GLN A 91 -11.875 -15.610 6.297 1.00 0.00 C ATOM 1520 O GLN A 91 -12.521 -15.254 7.276 1.00 0.00 O ATOM 1521 CB GLN A 91 -11.066 -18.079 6.795 1.00 0.00 C ATOM 1522 CG GLN A 91 -12.079 -18.277 7.918 1.00 0.00 C ATOM 1523 CD GLN A 91 -12.244 -19.772 8.189 1.00 0.00 C ATOM 1524 OE1 GLN A 91 -11.570 -20.426 8.989 1.00 0.00 O ATOM 1525 NE2 GLN A 91 -13.187 -20.378 7.427 1.00 0.00 N ATOM 0 H GLN A 91 -10.242 -15.718 8.211 1.00 0.00 H new ATOM 0 HA GLN A 91 -10.379 -16.829 5.427 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -11.432 -18.591 5.905 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -10.133 -18.565 7.081 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -11.743 -17.767 8.821 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -13.037 -17.838 7.641 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -13.740 -19.830 6.768 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -13.344 -21.382 7.513 1.00 0.00 H new ATOM 1534 N TYR A 92 -12.059 -15.063 5.076 1.00 0.00 N ATOM 1535 CA TYR A 92 -12.985 -14.018 4.671 1.00 0.00 C ATOM 1536 C TYR A 92 -14.481 -14.347 4.926 1.00 0.00 C ATOM 1537 O TYR A 92 -14.893 -15.505 4.941 1.00 0.00 O ATOM 1538 CB TYR A 92 -12.464 -13.366 3.347 1.00 0.00 C ATOM 1539 CG TYR A 92 -13.403 -12.472 2.560 1.00 0.00 C ATOM 1540 CD1 TYR A 92 -14.256 -12.975 1.607 1.00 0.00 C ATOM 1541 CD2 TYR A 92 -13.468 -11.117 2.796 1.00 0.00 C ATOM 1542 CE1 TYR A 92 -15.232 -12.213 1.012 1.00 0.00 C ATOM 1543 CE2 TYR A 92 -14.453 -10.330 2.245 1.00 0.00 C ATOM 1544 CZ TYR A 92 -15.321 -10.876 1.312 1.00 0.00 C ATOM 1545 OH TYR A 92 -16.275 -10.122 0.606 1.00 0.00 O ATOM 0 H TYR A 92 -11.503 -15.383 4.283 1.00 0.00 H new ATOM 0 HA TYR A 92 -12.996 -13.160 5.344 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -11.578 -12.781 3.593 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -12.142 -14.171 2.686 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -14.155 -14.010 1.314 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -12.725 -10.659 3.432 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -15.923 -12.662 0.314 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -14.549 -9.295 2.537 1.00 0.00 H new ATOM 0 HH TYR A 92 -15.946 -9.206 0.489 1.00 0.00 H new ATOM 1555 N ILE A 93 -15.301 -13.318 5.222 1.00 0.00 N ATOM 1556 CA ILE A 93 -16.728 -13.257 5.488 1.00 0.00 C ATOM 1557 C ILE A 93 -17.350 -13.025 4.132 1.00 0.00 C ATOM 1558 O ILE A 93 -17.144 -11.961 3.553 1.00 0.00 O ATOM 1559 CB ILE A 93 -17.048 -12.075 6.433 1.00 0.00 C ATOM 1560 CG1 ILE A 93 -16.304 -12.325 7.773 1.00 0.00 C ATOM 1561 CG2 ILE A 93 -18.576 -11.856 6.581 1.00 0.00 C ATOM 1562 CD1 ILE A 93 -16.928 -11.794 9.059 1.00 0.00 C ATOM 0 H ILE A 93 -14.904 -12.381 5.285 1.00 0.00 H new ATOM 0 HA ILE A 93 -17.102 -14.159 5.972 1.00 0.00 H new ATOM 0 HB ILE A 93 -16.689 -11.134 6.016 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -16.176 -13.402 7.886 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -15.307 -11.893 7.685 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -18.760 -11.017 7.252 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -19.009 -11.641 5.604 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -19.035 -12.756 6.991 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -16.290 -12.049 9.905 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -17.029 -10.711 8.994 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -17.912 -12.242 9.198 1.00 0.00 H new ATOM 1574 N ASP A 94 -18.103 -14.009 3.554 1.00 0.00 N ATOM 1575 CA ASP A 94 -18.680 -13.890 2.210 1.00 0.00 C ATOM 1576 C ASP A 94 -19.873 -12.980 2.147 1.00 0.00 C ATOM 1577 O ASP A 94 -21.011 -13.364 2.391 1.00 0.00 O ATOM 1578 CB ASP A 94 -18.989 -15.192 1.403 1.00 0.00 C ATOM 1579 CG ASP A 94 -19.707 -16.287 2.199 1.00 0.00 C ATOM 1580 OD1 ASP A 94 -20.881 -16.590 1.861 1.00 0.00 O ATOM 1581 OD2 ASP A 94 -19.089 -16.841 3.147 1.00 0.00 O ATOM 0 H ASP A 94 -18.316 -14.893 4.015 1.00 0.00 H new ATOM 0 HA ASP A 94 -17.824 -13.449 1.699 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -19.600 -14.931 0.539 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -18.052 -15.596 1.020 1.00 0.00 H new ATOM 1586 N ARG A 95 -19.569 -11.723 1.766 1.00 0.00 N ATOM 1587 CA ARG A 95 -20.395 -10.547 1.615 1.00 0.00 C ATOM 1588 C ARG A 95 -21.642 -10.727 0.780 1.00 0.00 C ATOM 1589 O ARG A 95 -22.668 -11.160 1.293 1.00 0.00 O ATOM 1590 CB ARG A 95 -19.415 -9.426 1.270 1.00 0.00 C ATOM 1591 CG ARG A 95 -18.569 -9.111 2.534 1.00 0.00 C ATOM 1592 CD ARG A 95 -18.979 -7.767 3.142 1.00 0.00 C ATOM 1593 NE ARG A 95 -20.448 -7.737 3.486 1.00 0.00 N ATOM 1594 CZ ARG A 95 -20.972 -8.186 4.671 1.00 0.00 C ATOM 1595 NH1 ARG A 95 -20.170 -8.700 5.648 1.00 0.00 N ATOM 1596 NH2 ARG A 95 -22.320 -8.124 4.871 1.00 0.00 N ATOM 0 H ARG A 95 -18.602 -11.499 1.529 1.00 0.00 H new ATOM 0 HA ARG A 95 -20.922 -10.276 2.530 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -18.768 -9.727 0.446 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -19.955 -8.537 0.943 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -18.699 -9.903 3.271 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -17.511 -9.089 2.273 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -18.391 -7.579 4.040 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -18.753 -6.965 2.439 1.00 0.00 H new ATOM 0 HE ARG A 95 -21.093 -7.358 2.792 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -19.162 -8.755 5.504 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -20.579 -9.029 6.523 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -22.927 -7.747 4.143 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -22.721 -8.455 5.748 1.00 0.00 H new ATOM 1610 N ASP A 96 -21.603 -10.475 -0.528 1.00 0.00 N ATOM 1611 CA ASP A 96 -22.632 -10.952 -1.428 1.00 0.00 C ATOM 1612 C ASP A 96 -22.033 -12.170 -2.140 1.00 0.00 C ATOM 1613 O ASP A 96 -21.113 -11.926 -2.915 1.00 0.00 O ATOM 1614 CB ASP A 96 -23.028 -9.890 -2.462 1.00 0.00 C ATOM 1615 CG ASP A 96 -23.591 -8.648 -1.769 1.00 0.00 C ATOM 1616 OD1 ASP A 96 -22.962 -7.563 -1.894 1.00 0.00 O ATOM 1617 OD2 ASP A 96 -24.657 -8.770 -1.107 1.00 0.00 O ATOM 0 H ASP A 96 -20.863 -9.940 -0.982 1.00 0.00 H new ATOM 0 HA ASP A 96 -23.538 -11.196 -0.873 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -22.160 -9.617 -3.061 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -23.771 -10.300 -3.146 1.00 0.00 H new ATOM 1622 N PRO A 97 -22.408 -13.463 -1.991 1.00 0.00 N ATOM 1623 CA PRO A 97 -21.810 -14.636 -2.664 1.00 0.00 C ATOM 1624 C PRO A 97 -21.868 -14.617 -4.185 1.00 0.00 C ATOM 1625 O PRO A 97 -20.961 -15.136 -4.831 1.00 0.00 O ATOM 1626 CB PRO A 97 -22.567 -15.833 -2.100 1.00 0.00 C ATOM 1627 CG PRO A 97 -22.970 -15.346 -0.714 1.00 0.00 C ATOM 1628 CD PRO A 97 -23.313 -13.873 -0.941 1.00 0.00 C ATOM 0 HA PRO A 97 -20.739 -14.659 -2.465 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -23.435 -16.088 -2.709 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -21.940 -16.723 -2.051 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -23.823 -15.902 -0.325 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -22.159 -15.463 0.005 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -24.354 -13.746 -1.239 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -23.167 -13.285 -0.035 1.00 0.00 H new ATOM 1636 N GLU A 98 -22.874 -13.900 -4.757 1.00 0.00 N ATOM 1637 CA GLU A 98 -23.013 -13.553 -6.163 1.00 0.00 C ATOM 1638 C GLU A 98 -21.930 -12.580 -6.599 1.00 0.00 C ATOM 1639 O GLU A 98 -21.540 -12.570 -7.746 1.00 0.00 O ATOM 1640 CB GLU A 98 -24.397 -12.953 -6.476 1.00 0.00 C ATOM 1641 CG GLU A 98 -25.515 -14.006 -6.414 1.00 0.00 C ATOM 1642 CD GLU A 98 -26.864 -13.343 -6.687 1.00 0.00 C ATOM 1643 OE1 GLU A 98 -27.279 -12.484 -5.863 1.00 0.00 O ATOM 1644 OE2 GLU A 98 -27.497 -13.685 -7.722 1.00 0.00 O ATOM 0 H GLU A 98 -23.646 -13.536 -4.199 1.00 0.00 H new ATOM 0 HA GLU A 98 -22.907 -14.482 -6.723 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -24.613 -12.154 -5.767 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -24.380 -12.502 -7.468 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -25.330 -14.791 -7.148 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -25.525 -14.482 -5.434 1.00 0.00 H new ATOM 1651 N THR A 99 -21.309 -11.787 -5.677 1.00 0.00 N ATOM 1652 CA THR A 99 -20.127 -10.969 -5.990 1.00 0.00 C ATOM 1653 C THR A 99 -18.893 -11.847 -6.068 1.00 0.00 C ATOM 1654 O THR A 99 -18.141 -11.747 -7.012 1.00 0.00 O ATOM 1655 CB THR A 99 -19.928 -9.743 -5.069 1.00 0.00 C ATOM 1656 OG1 THR A 99 -19.533 -8.592 -5.806 1.00 0.00 O ATOM 1657 CG2 THR A 99 -18.903 -9.900 -3.931 1.00 0.00 C ATOM 0 H THR A 99 -21.620 -11.706 -4.709 1.00 0.00 H new ATOM 0 HA THR A 99 -20.307 -10.526 -6.970 1.00 0.00 H new ATOM 0 HB THR A 99 -20.914 -9.639 -4.616 1.00 0.00 H new ATOM 0 HG1 THR A 99 -18.640 -8.735 -6.182 1.00 0.00 H new ATOM 0 HG21 THR A 99 -18.853 -8.975 -3.356 1.00 0.00 H new ATOM 0 HG22 THR A 99 -19.207 -10.718 -3.277 1.00 0.00 H new ATOM 0 HG23 THR A 99 -17.922 -10.118 -4.353 1.00 0.00 H new ATOM 1665 N ILE A 100 -18.698 -12.797 -5.114 1.00 0.00 N ATOM 1666 CA ILE A 100 -17.607 -13.768 -4.978 1.00 0.00 C ATOM 1667 C ILE A 100 -17.622 -14.786 -6.120 1.00 0.00 C ATOM 1668 O ILE A 100 -16.639 -14.895 -6.836 1.00 0.00 O ATOM 1669 CB ILE A 100 -17.762 -14.338 -3.580 1.00 0.00 C ATOM 1670 CG1 ILE A 100 -17.474 -13.167 -2.602 1.00 0.00 C ATOM 1671 CG2 ILE A 100 -16.763 -15.485 -3.323 1.00 0.00 C ATOM 1672 CD1 ILE A 100 -18.094 -13.342 -1.227 1.00 0.00 C ATOM 0 H ILE A 100 -19.371 -12.902 -4.355 1.00 0.00 H new ATOM 0 HA ILE A 100 -16.614 -13.328 -5.073 1.00 0.00 H new ATOM 0 HB ILE A 100 -18.762 -14.751 -3.447 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -16.395 -13.057 -2.491 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -17.845 -12.241 -3.041 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -16.902 -15.869 -2.313 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -16.935 -16.285 -4.043 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -15.745 -15.112 -3.432 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -17.846 -12.482 -0.604 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -19.177 -13.420 -1.323 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -17.704 -14.249 -0.765 1.00 0.00 H new ATOM 1684 N ARG A 101 -18.756 -15.455 -6.465 1.00 0.00 N ATOM 1685 CA ARG A 101 -18.840 -16.357 -7.626 1.00 0.00 C ATOM 1686 C ARG A 101 -18.787 -15.635 -8.990 1.00 0.00 C ATOM 1687 O ARG A 101 -18.338 -16.206 -9.981 1.00 0.00 O ATOM 1688 CB ARG A 101 -20.100 -17.258 -7.547 1.00 0.00 C ATOM 1689 CG ARG A 101 -20.204 -18.098 -6.255 1.00 0.00 C ATOM 1690 CD ARG A 101 -21.357 -19.109 -6.326 1.00 0.00 C ATOM 1691 NE ARG A 101 -21.512 -19.781 -4.985 1.00 0.00 N ATOM 1692 CZ ARG A 101 -22.433 -19.404 -4.042 1.00 0.00 C ATOM 1693 NH1 ARG A 101 -23.323 -18.400 -4.289 1.00 0.00 N ATOM 1694 NH2 ARG A 101 -22.459 -20.043 -2.837 1.00 0.00 N ATOM 0 H ARG A 101 -19.629 -15.378 -5.943 1.00 0.00 H new ATOM 0 HA ARG A 101 -17.945 -16.977 -7.571 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -20.987 -16.630 -7.630 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -20.105 -17.931 -8.405 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -19.266 -18.627 -6.089 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -20.352 -17.436 -5.402 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -22.283 -18.604 -6.602 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -21.157 -19.853 -7.098 1.00 0.00 H new ATOM 0 HE ARG A 101 -20.895 -20.563 -4.766 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -23.310 -17.917 -5.187 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -24.001 -18.133 -3.576 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -21.797 -20.794 -2.644 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -23.141 -19.769 -2.129 1.00 0.00 H new ATOM 1708 N ARG A 102 -19.154 -14.313 -9.054 1.00 0.00 N ATOM 1709 CA ARG A 102 -18.985 -13.442 -10.228 1.00 0.00 C ATOM 1710 C ARG A 102 -17.554 -12.952 -10.346 1.00 0.00 C ATOM 1711 O ARG A 102 -17.017 -12.916 -11.455 1.00 0.00 O ATOM 1712 CB ARG A 102 -19.961 -12.259 -10.304 1.00 0.00 C ATOM 1713 CG ARG A 102 -21.369 -12.779 -10.624 1.00 0.00 C ATOM 1714 CD ARG A 102 -22.394 -11.663 -10.794 1.00 0.00 C ATOM 1715 NE ARG A 102 -23.715 -12.281 -11.158 1.00 0.00 N ATOM 1716 CZ ARG A 102 -24.871 -11.556 -11.277 1.00 0.00 C ATOM 1717 NH1 ARG A 102 -24.876 -10.206 -11.074 1.00 0.00 N ATOM 1718 NH2 ARG A 102 -26.033 -12.194 -11.602 1.00 0.00 N ATOM 0 H ARG A 102 -19.583 -13.831 -8.264 1.00 0.00 H new ATOM 0 HA ARG A 102 -19.230 -14.078 -11.079 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -19.968 -11.718 -9.358 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -19.638 -11.556 -11.072 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -21.332 -13.372 -11.538 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -21.695 -13.445 -9.825 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -22.486 -11.089 -9.872 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -22.073 -10.969 -11.571 1.00 0.00 H new ATOM 0 HE ARG A 102 -23.752 -13.287 -11.324 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -24.011 -9.724 -10.830 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -25.745 -9.680 -11.166 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -26.036 -13.203 -11.754 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -26.899 -11.662 -11.693 1.00 0.00 H new ATOM 1732 N GLN A 103 -16.902 -12.650 -9.180 1.00 0.00 N ATOM 1733 CA GLN A 103 -15.489 -12.325 -8.984 1.00 0.00 C ATOM 1734 C GLN A 103 -14.562 -13.422 -9.453 1.00 0.00 C ATOM 1735 O GLN A 103 -13.638 -13.148 -10.208 1.00 0.00 O ATOM 1736 CB GLN A 103 -15.246 -11.595 -7.627 1.00 0.00 C ATOM 1737 CG GLN A 103 -15.783 -10.132 -7.759 1.00 0.00 C ATOM 1738 CD GLN A 103 -15.862 -9.228 -6.515 1.00 0.00 C ATOM 1739 OE1 GLN A 103 -16.927 -8.776 -6.071 1.00 0.00 O ATOM 1740 NE2 GLN A 103 -14.670 -8.841 -5.991 1.00 0.00 N ATOM 0 H GLN A 103 -17.409 -12.632 -8.295 1.00 0.00 H new ATOM 0 HA GLN A 103 -15.170 -11.545 -9.675 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -15.757 -12.116 -6.818 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -14.184 -11.590 -7.382 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -15.158 -9.622 -8.492 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -16.786 -10.191 -8.181 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -13.801 -9.221 -6.366 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -14.644 -8.171 -5.223 1.00 0.00 H new ATOM 1749 N LEU A 104 -14.815 -14.697 -9.103 1.00 0.00 N ATOM 1750 CA LEU A 104 -14.026 -15.805 -9.583 1.00 0.00 C ATOM 1751 C LEU A 104 -14.384 -16.310 -10.987 1.00 0.00 C ATOM 1752 O LEU A 104 -13.509 -16.551 -11.810 1.00 0.00 O ATOM 1753 CB LEU A 104 -13.934 -17.003 -8.601 1.00 0.00 C ATOM 1754 CG LEU A 104 -14.639 -17.048 -7.238 1.00 0.00 C ATOM 1755 CD1 LEU A 104 -14.501 -18.448 -6.609 1.00 0.00 C ATOM 1756 CD2 LEU A 104 -14.075 -16.034 -6.261 1.00 0.00 C ATOM 0 H LEU A 104 -15.575 -14.969 -8.480 1.00 0.00 H new ATOM 0 HA LEU A 104 -13.038 -15.349 -9.652 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -14.281 -17.877 -9.153 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -12.873 -17.153 -8.401 1.00 0.00 H new ATOM 0 HG LEU A 104 -15.686 -16.808 -7.425 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -15.006 -18.464 -5.643 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -14.954 -19.189 -7.268 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -13.446 -18.682 -6.471 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -14.608 -16.107 -5.313 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -13.016 -16.235 -6.099 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -14.195 -15.030 -6.669 1.00 0.00 H new ATOM 1768 N GLU A 105 -15.690 -16.571 -11.275 1.00 0.00 N ATOM 1769 CA GLU A 105 -16.129 -17.204 -12.522 1.00 0.00 C ATOM 1770 C GLU A 105 -16.295 -16.316 -13.757 1.00 0.00 C ATOM 1771 O GLU A 105 -15.756 -16.643 -14.806 1.00 0.00 O ATOM 1772 CB GLU A 105 -17.405 -18.069 -12.312 1.00 0.00 C ATOM 1773 CG GLU A 105 -17.258 -19.078 -11.154 1.00 0.00 C ATOM 1774 CD GLU A 105 -18.517 -19.937 -11.048 1.00 0.00 C ATOM 1775 OE1 GLU A 105 -19.187 -19.880 -9.983 1.00 0.00 O ATOM 1776 OE2 GLU A 105 -18.821 -20.667 -12.029 1.00 0.00 O ATOM 0 H GLU A 105 -16.456 -16.343 -10.641 1.00 0.00 H new ATOM 0 HA GLU A 105 -15.269 -17.828 -12.766 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -18.253 -17.415 -12.112 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -17.628 -18.609 -13.232 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -16.388 -19.712 -11.322 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -17.090 -18.547 -10.217 1.00 0.00 H new ATOM 1783 N LEU A 106 -17.089 -15.212 -13.684 1.00 0.00 N ATOM 1784 CA LEU A 106 -17.440 -14.311 -14.789 1.00 0.00 C ATOM 1785 C LEU A 106 -16.425 -13.230 -15.107 1.00 0.00 C ATOM 1786 O LEU A 106 -15.996 -13.051 -16.246 1.00 0.00 O ATOM 1787 CB LEU A 106 -18.742 -13.553 -14.462 1.00 0.00 C ATOM 1788 CG LEU A 106 -19.986 -14.416 -14.132 1.00 0.00 C ATOM 1789 CD1 LEU A 106 -21.237 -13.659 -14.603 1.00 0.00 C ATOM 1790 CD2 LEU A 106 -20.019 -15.816 -14.769 1.00 0.00 C ATOM 0 H LEU A 106 -17.516 -14.923 -12.804 1.00 0.00 H new ATOM 0 HA LEU A 106 -17.512 -14.981 -15.645 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -18.549 -12.896 -13.614 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -18.986 -12.915 -15.311 1.00 0.00 H new ATOM 0 HG LEU A 106 -19.948 -14.577 -13.055 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -22.125 -14.250 -14.380 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -21.299 -12.701 -14.086 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -21.176 -13.488 -15.678 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -20.933 -16.330 -14.470 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -19.993 -15.722 -15.855 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -19.154 -16.389 -14.434 1.00 0.00 H new ATOM 1802 N GLU A 107 -16.019 -12.452 -14.052 1.00 0.00 N ATOM 1803 CA GLU A 107 -15.112 -11.292 -14.063 1.00 0.00 C ATOM 1804 C GLU A 107 -13.717 -11.581 -14.587 1.00 0.00 C ATOM 1805 O GLU A 107 -12.969 -10.720 -15.038 1.00 0.00 O ATOM 1806 CB GLU A 107 -15.034 -10.712 -12.626 1.00 0.00 C ATOM 1807 CG GLU A 107 -14.207 -9.424 -12.471 1.00 0.00 C ATOM 1808 CD GLU A 107 -14.392 -8.829 -11.078 1.00 0.00 C ATOM 1809 OE1 GLU A 107 -15.532 -8.391 -10.768 1.00 0.00 O ATOM 1810 OE2 GLU A 107 -13.395 -8.801 -10.307 1.00 0.00 O ATOM 0 H GLU A 107 -16.352 -12.649 -13.108 1.00 0.00 H new ATOM 0 HA GLU A 107 -15.533 -10.572 -14.764 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -16.048 -10.515 -12.278 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -14.614 -11.473 -11.969 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -13.152 -9.640 -12.643 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -14.510 -8.698 -13.225 1.00 0.00 H new ATOM 1817 N LYS A 108 -13.390 -12.884 -14.553 1.00 0.00 N ATOM 1818 CA LYS A 108 -12.125 -13.448 -14.993 1.00 0.00 C ATOM 1819 C LYS A 108 -12.082 -13.899 -16.460 1.00 0.00 C ATOM 1820 O LYS A 108 -11.034 -14.268 -16.985 1.00 0.00 O ATOM 1821 CB LYS A 108 -11.693 -14.584 -14.043 1.00 0.00 C ATOM 1822 CG LYS A 108 -11.360 -14.059 -12.633 1.00 0.00 C ATOM 1823 CD LYS A 108 -10.065 -14.614 -12.009 1.00 0.00 C ATOM 1824 CE LYS A 108 -10.164 -16.028 -11.402 1.00 0.00 C ATOM 1825 NZ LYS A 108 -10.321 -17.075 -12.439 1.00 0.00 N ATOM 0 H LYS A 108 -14.034 -13.593 -14.202 1.00 0.00 H new ATOM 0 HA LYS A 108 -11.407 -12.629 -14.946 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -12.491 -15.324 -13.976 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -10.821 -15.091 -14.457 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -11.285 -12.972 -12.677 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -12.193 -14.295 -11.970 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -9.289 -14.622 -12.775 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -9.736 -13.927 -11.229 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -9.269 -16.233 -10.815 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -11.011 -16.068 -10.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -10.230 -18.014 -12.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -11.258 -16.988 -12.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -9.584 -16.959 -13.164 1.00 0.00 H new ATOM 1839 N LYS A 109 -13.222 -13.843 -17.189 1.00 0.00 N ATOM 1840 CA LYS A 109 -13.420 -14.205 -18.591 1.00 0.00 C ATOM 1841 C LYS A 109 -13.216 -13.031 -19.555 1.00 0.00 C ATOM 1842 O LYS A 109 -13.932 -12.844 -20.541 1.00 0.00 O ATOM 1843 CB LYS A 109 -14.835 -14.805 -18.789 1.00 0.00 C ATOM 1844 CG LYS A 109 -15.033 -16.101 -17.993 1.00 0.00 C ATOM 1845 CD LYS A 109 -16.191 -16.962 -18.517 1.00 0.00 C ATOM 1846 CE LYS A 109 -17.580 -16.323 -18.366 1.00 0.00 C ATOM 1847 NZ LYS A 109 -18.633 -17.219 -18.898 1.00 0.00 N ATOM 0 H LYS A 109 -14.091 -13.515 -16.766 1.00 0.00 H new ATOM 0 HA LYS A 109 -12.658 -14.946 -18.831 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -15.583 -14.074 -18.482 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -14.999 -15.003 -19.848 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -14.112 -16.684 -18.025 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -15.217 -15.853 -16.948 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -16.018 -17.179 -19.571 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -16.185 -17.916 -17.990 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -17.775 -16.110 -17.315 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -17.606 -15.370 -18.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -19.563 -16.767 -18.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -18.456 -17.402 -19.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -18.620 -18.118 -18.376 1.00 0.00 H new ATOM 1861 N LYS A 110 -12.173 -12.202 -19.305 1.00 0.00 N ATOM 1862 CA LYS A 110 -11.798 -11.003 -20.056 1.00 0.00 C ATOM 1863 C LYS A 110 -11.051 -11.310 -21.361 1.00 0.00 C ATOM 1864 O LYS A 110 -9.916 -10.898 -21.591 1.00 0.00 O ATOM 1865 CB LYS A 110 -11.015 -10.035 -19.127 1.00 0.00 C ATOM 1866 CG LYS A 110 -11.000 -8.571 -19.600 1.00 0.00 C ATOM 1867 CD LYS A 110 -10.268 -7.644 -18.617 1.00 0.00 C ATOM 1868 CE LYS A 110 -10.294 -6.172 -19.055 1.00 0.00 C ATOM 1869 NZ LYS A 110 -9.584 -5.315 -18.078 1.00 0.00 N ATOM 0 H LYS A 110 -11.540 -12.373 -18.524 1.00 0.00 H new ATOM 0 HA LYS A 110 -12.714 -10.509 -20.381 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -11.451 -10.077 -18.129 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -9.987 -10.386 -19.041 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -10.519 -8.513 -20.576 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -12.025 -8.223 -19.728 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -10.725 -7.733 -17.632 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -9.233 -7.971 -18.519 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -9.830 -6.073 -20.036 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -11.326 -5.837 -19.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -9.616 -4.326 -18.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -10.043 -5.394 -17.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -8.593 -5.623 -18.002 1.00 0.00 H new ATOM 1883 N LYS A 111 -11.734 -12.088 -22.244 1.00 0.00 N ATOM 1884 CA LYS A 111 -11.331 -12.568 -23.564 1.00 0.00 C ATOM 1885 C LYS A 111 -10.281 -13.677 -23.536 1.00 0.00 C ATOM 1886 O LYS A 111 -10.300 -14.593 -24.360 1.00 0.00 O ATOM 1887 CB LYS A 111 -10.965 -11.416 -24.545 1.00 0.00 C ATOM 1888 CG LYS A 111 -10.933 -11.810 -26.035 1.00 0.00 C ATOM 1889 CD LYS A 111 -10.625 -10.633 -26.981 1.00 0.00 C ATOM 1890 CE LYS A 111 -11.708 -9.539 -27.035 1.00 0.00 C ATOM 1891 NZ LYS A 111 -13.000 -10.082 -27.518 1.00 0.00 N ATOM 0 H LYS A 111 -12.671 -12.419 -22.011 1.00 0.00 H new ATOM 0 HA LYS A 111 -12.226 -13.042 -23.967 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -11.684 -10.607 -24.415 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -9.987 -11.021 -24.269 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -10.183 -12.587 -26.180 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -11.896 -12.242 -26.308 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -9.684 -10.176 -26.674 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -10.476 -11.025 -27.987 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -11.841 -9.107 -26.043 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -11.381 -8.733 -27.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -13.669 -9.301 -27.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -12.850 -10.591 -28.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -13.389 -10.735 -26.809 1.00 0.00 H new TER 1905 LYS A 111