USER MOD reduce.3.24.130724 H: found=0, std=0, add=871, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 871 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 37 TYR OH : rot 180:sc= -0.15 USER MOD Set 1.2: A 58 ASN : amide:sc= 0.54 K(o=0.39,f=-0.15) USER MOD Set 2.1: A 11 TYR OH : rot 78:sc= 1.05 USER MOD Set 2.2: A 69 HIS : no HD1:sc= 0.584 K(o=1.6,f=-1.1) USER MOD Set 3.1: A 8 LYS NZ :NH3+ -173:sc= 0.95 (180deg=-0.398) USER MOD Set 3.2: A 68 TYR OH : rot 87:sc= 1.26 USER MOD Single : A 1 MET CE :methyl -159:sc= -0.138 (180deg=-0.668) USER MOD Single : A 1 MET N :NH3+ 137:sc= 0.0143 (180deg=-0.0684) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 MET CE :methyl -148:sc= -0.105 (180deg=-1.94!) USER MOD Single : A 12 TYR OH : rot 180:sc=-0.000763 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0381 USER MOD Single : A 20 LYS NZ :NH3+ 168:sc= -0.0168 (180deg=-0.166) USER MOD Single : A 23 HIS : no HD1:sc= -1.06 X(o=-1.1,f=-0.77) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 169:sc= -0.013 (180deg=-0.128) USER MOD Single : A 28 ASN : amide:sc= -0.189 K(o=-0.19,f=-1.3) USER MOD Single : A 30 GLN : amide:sc= 0.61 K(o=0.61,f=-8.8!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 161:sc= 0.817 (180deg=0.291) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 149:sc= -0.849 (180deg=-2.55!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 144:sc= 0.028 (180deg=-0.409) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 175:sc= 1.25 (180deg=1.14) USER MOD Single : A 54 THR OG1 : rot 37:sc= 0.644 USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 146:sc= 0.0759 (180deg=0) USER MOD Single : A 70 SER OG : rot -11:sc= 0.0831 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -168:sc=-0.00804 (180deg=-0.145) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -172:sc= 2.49 (180deg=2.33) USER MOD Single : A 83 LYS NZ :NH3+ 161:sc= -0.072 (180deg=-0.473) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 166:sc= -0.0401 (180deg=-0.25) USER MOD Single : A 93 LYS NZ :NH3+ -166:sc= -0.0354 (180deg=-0.257) USER MOD Single : A 97 LYS NZ :NH3+ 162:sc= 1.19 (180deg=0.743) USER MOD Single : A 100 HIS : no HD1:sc= -0.182 X(o=-0.18,f=0) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 102 HIS : no HD1:sc= 0.0247 K(o=0.025,f=-3.2!) USER MOD Single : A 103 HIS : no HD1:sc= -0.155 X(o=-0.15,f=-0.035) USER MOD Single : A 104 HIS : no HD1:sc= -0.41 X(o=-0.41,f=-0.065) USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.942 -2.562 -23.950 1.00 31.45 N ATOM 2 CA MET A 1 16.083 -3.311 -22.670 1.00 63.32 C ATOM 3 C MET A 1 15.694 -2.445 -21.461 1.00 34.13 C ATOM 4 O MET A 1 15.871 -1.229 -21.479 1.00 24.31 O ATOM 5 CB MET A 1 17.530 -3.812 -22.505 1.00 74.23 C ATOM 6 CG MET A 1 18.581 -2.705 -22.500 1.00 60.15 C ATOM 7 SD MET A 1 20.258 -3.333 -22.251 1.00 4.41 S ATOM 8 CE MET A 1 20.121 -4.042 -20.610 1.00 23.43 C ATOM 0 H1 MET A 1 16.764 -2.755 -24.557 1.00 31.45 H new ATOM 0 H2 MET A 1 15.074 -2.865 -24.436 1.00 31.45 H new ATOM 0 H3 MET A 1 15.890 -1.542 -23.752 1.00 31.45 H new ATOM 0 HA MET A 1 15.403 -4.162 -22.710 1.00 63.32 H new ATOM 0 HB2 MET A 1 17.604 -4.372 -21.573 1.00 74.23 H new ATOM 0 HB3 MET A 1 17.756 -4.508 -23.313 1.00 74.23 H new ATOM 0 HG2 MET A 1 18.537 -2.164 -23.445 1.00 60.15 H new ATOM 0 HG3 MET A 1 18.345 -1.990 -21.712 1.00 60.15 H new ATOM 0 HE1 MET A 1 21.113 -4.128 -20.167 1.00 23.43 H new ATOM 0 HE2 MET A 1 19.500 -3.399 -19.986 1.00 23.43 H new ATOM 0 HE3 MET A 1 19.667 -5.030 -20.677 1.00 23.43 H new ATOM 20 N ASP A 2 15.154 -3.075 -20.417 1.00 5.41 N ATOM 21 CA ASP A 2 14.826 -2.371 -19.169 1.00 54.14 C ATOM 22 C ASP A 2 15.228 -3.195 -17.940 1.00 0.51 C ATOM 23 O ASP A 2 14.937 -4.387 -17.859 1.00 23.41 O ATOM 24 CB ASP A 2 13.328 -2.036 -19.100 1.00 44.21 C ATOM 25 CG ASP A 2 12.933 -1.447 -17.749 1.00 41.51 C ATOM 26 OD1 ASP A 2 13.403 -0.334 -17.418 1.00 33.31 O ATOM 27 OD2 ASP A 2 12.186 -2.105 -16.996 1.00 72.20 O ATOM 0 H ASP A 2 14.933 -4.071 -20.407 1.00 5.41 H new ATOM 0 HA ASP A 2 15.396 -1.442 -19.166 1.00 54.14 H new ATOM 0 HB2 ASP A 2 13.079 -1.328 -19.890 1.00 44.21 H new ATOM 0 HB3 ASP A 2 12.746 -2.939 -19.285 1.00 44.21 H new ATOM 32 N LEU A 3 15.907 -2.556 -16.995 1.00 12.24 N ATOM 33 CA LEU A 3 16.273 -3.202 -15.731 1.00 33.24 C ATOM 34 C LEU A 3 15.570 -2.531 -14.537 1.00 23.25 C ATOM 35 O LEU A 3 15.551 -3.070 -13.428 1.00 44.04 O ATOM 36 CB LEU A 3 17.798 -3.190 -15.519 1.00 55.01 C ATOM 37 CG LEU A 3 18.475 -1.802 -15.518 1.00 23.23 C ATOM 38 CD1 LEU A 3 19.785 -1.852 -14.735 1.00 0.53 C ATOM 39 CD2 LEU A 3 18.740 -1.316 -16.946 1.00 52.31 C ATOM 0 H LEU A 3 16.218 -1.588 -17.076 1.00 12.24 H new ATOM 0 HA LEU A 3 15.940 -4.238 -15.791 1.00 33.24 H new ATOM 0 HB2 LEU A 3 18.016 -3.678 -14.569 1.00 55.01 H new ATOM 0 HB3 LEU A 3 18.257 -3.795 -16.301 1.00 55.01 H new ATOM 0 HG LEU A 3 17.796 -1.098 -15.036 1.00 23.23 H new ATOM 0 HD11 LEU A 3 20.251 -0.867 -14.743 1.00 0.53 H new ATOM 0 HD12 LEU A 3 19.583 -2.150 -13.706 1.00 0.53 H new ATOM 0 HD13 LEU A 3 20.457 -2.575 -15.197 1.00 0.53 H new ATOM 0 HD21 LEU A 3 19.217 -0.336 -16.914 1.00 52.31 H new ATOM 0 HD22 LEU A 3 19.395 -2.023 -17.455 1.00 52.31 H new ATOM 0 HD23 LEU A 3 17.796 -1.243 -17.486 1.00 52.31 H new ATOM 51 N ASN A 4 14.971 -1.363 -14.777 1.00 0.44 N ATOM 52 CA ASN A 4 14.402 -0.548 -13.698 1.00 55.41 C ATOM 53 C ASN A 4 12.977 -0.978 -13.305 1.00 12.45 C ATOM 54 O ASN A 4 12.681 -1.101 -12.120 1.00 23.21 O ATOM 55 CB ASN A 4 14.423 0.940 -14.076 1.00 73.04 C ATOM 56 CG ASN A 4 15.824 1.528 -14.021 1.00 31.43 C ATOM 57 OD1 ASN A 4 16.263 2.017 -12.987 1.00 61.44 O ATOM 58 ND2 ASN A 4 16.537 1.494 -15.126 1.00 63.32 N ATOM 0 H ASN A 4 14.867 -0.959 -15.708 1.00 0.44 H new ATOM 0 HA ASN A 4 15.033 -0.710 -12.824 1.00 55.41 H new ATOM 0 HB2 ASN A 4 14.018 1.063 -15.081 1.00 73.04 H new ATOM 0 HB3 ASN A 4 13.772 1.494 -13.400 1.00 73.04 H new ATOM 0 HD21 ASN A 4 17.481 1.881 -15.136 1.00 63.32 H new ATOM 0 HD22 ASN A 4 16.146 1.081 -15.973 1.00 63.32 H new ATOM 65 N ARG A 5 12.093 -1.202 -14.277 1.00 24.31 N ATOM 66 CA ARG A 5 10.692 -1.552 -13.971 1.00 61.43 C ATOM 67 C ARG A 5 10.490 -3.076 -13.918 1.00 23.44 C ATOM 68 O ARG A 5 10.423 -3.662 -12.833 1.00 53.10 O ATOM 69 CB ARG A 5 9.719 -0.935 -15.000 1.00 51.44 C ATOM 70 CG ARG A 5 9.787 0.590 -15.115 1.00 24.30 C ATOM 71 CD ARG A 5 11.003 1.046 -15.914 1.00 11.23 C ATOM 72 NE ARG A 5 11.146 2.497 -15.935 1.00 2.31 N ATOM 73 CZ ARG A 5 12.235 3.116 -16.298 1.00 70.54 C ATOM 74 NH1 ARG A 5 13.259 2.453 -16.734 1.00 35.53 N ATOM 75 NH2 ARG A 5 12.292 4.402 -16.235 1.00 31.04 N ATOM 0 H ARG A 5 12.310 -1.150 -15.272 1.00 24.31 H new ATOM 0 HA ARG A 5 10.472 -1.137 -12.988 1.00 61.43 H new ATOM 0 HB2 ARG A 5 9.925 -1.368 -15.979 1.00 51.44 H new ATOM 0 HB3 ARG A 5 8.701 -1.220 -14.733 1.00 51.44 H new ATOM 0 HG2 ARG A 5 8.879 0.959 -15.593 1.00 24.30 H new ATOM 0 HG3 ARG A 5 9.823 1.028 -14.118 1.00 24.30 H new ATOM 0 HD2 ARG A 5 11.902 0.602 -15.486 1.00 11.23 H new ATOM 0 HD3 ARG A 5 10.921 0.678 -16.937 1.00 11.23 H new ATOM 0 HE ARG A 5 10.346 3.062 -15.649 1.00 2.31 H new ATOM 0 HH11 ARG A 5 13.219 1.436 -16.796 1.00 35.53 H new ATOM 0 HH12 ARG A 5 14.105 2.948 -17.015 1.00 35.53 H new ATOM 0 HH21 ARG A 5 11.487 4.932 -15.902 1.00 31.04 H new ATOM 0 HH22 ARG A 5 13.142 4.889 -16.518 1.00 31.04 H new ATOM 89 N MET A 6 10.410 -3.693 -15.099 1.00 21.21 N ATOM 90 CA MET A 6 10.174 -5.143 -15.261 1.00 50.33 C ATOM 91 C MET A 6 9.172 -5.750 -14.253 1.00 10.52 C ATOM 92 O MET A 6 7.973 -5.835 -14.530 1.00 2.13 O ATOM 93 CB MET A 6 11.494 -5.924 -15.220 1.00 75.44 C ATOM 94 CG MET A 6 12.435 -5.598 -16.371 1.00 62.41 C ATOM 95 SD MET A 6 13.816 -6.758 -16.493 1.00 43.22 S ATOM 96 CE MET A 6 14.613 -6.518 -14.910 1.00 50.43 C ATOM 0 H MET A 6 10.508 -3.199 -15.986 1.00 21.21 H new ATOM 0 HA MET A 6 9.711 -5.242 -16.243 1.00 50.33 H new ATOM 0 HB2 MET A 6 12.001 -5.714 -14.278 1.00 75.44 H new ATOM 0 HB3 MET A 6 11.275 -6.992 -15.233 1.00 75.44 H new ATOM 0 HG2 MET A 6 11.875 -5.606 -17.306 1.00 62.41 H new ATOM 0 HG3 MET A 6 12.824 -4.588 -16.242 1.00 62.41 H new ATOM 0 HE1 MET A 6 15.687 -6.670 -15.017 1.00 50.43 H new ATOM 0 HE2 MET A 6 14.423 -5.504 -14.557 1.00 50.43 H new ATOM 0 HE3 MET A 6 14.215 -7.233 -14.190 1.00 50.43 H new ATOM 106 N GLY A 7 9.672 -6.165 -13.083 1.00 60.41 N ATOM 107 CA GLY A 7 8.868 -6.973 -12.159 1.00 74.40 C ATOM 108 C GLY A 7 8.246 -6.201 -10.996 1.00 43.53 C ATOM 109 O GLY A 7 7.515 -6.781 -10.188 1.00 35.31 O ATOM 0 H GLY A 7 10.616 -5.958 -12.757 1.00 60.41 H new ATOM 0 HA2 GLY A 7 8.070 -7.455 -12.723 1.00 74.40 H new ATOM 0 HA3 GLY A 7 9.496 -7.766 -11.754 1.00 74.40 H new ATOM 113 N LYS A 8 8.523 -4.903 -10.895 1.00 44.25 N ATOM 114 CA LYS A 8 7.960 -4.085 -9.809 1.00 35.32 C ATOM 115 C LYS A 8 6.559 -3.557 -10.168 1.00 70.54 C ATOM 116 O LYS A 8 6.363 -2.945 -11.216 1.00 43.40 O ATOM 117 CB LYS A 8 8.908 -2.929 -9.438 1.00 63.12 C ATOM 118 CG LYS A 8 9.922 -3.282 -8.343 1.00 30.44 C ATOM 119 CD LYS A 8 10.913 -4.373 -8.768 1.00 11.32 C ATOM 120 CE LYS A 8 12.219 -3.795 -9.310 1.00 75.13 C ATOM 121 NZ LYS A 8 12.028 -3.011 -10.557 1.00 34.43 N ATOM 0 H LYS A 8 9.126 -4.394 -11.541 1.00 44.25 H new ATOM 0 HA LYS A 8 7.855 -4.728 -8.935 1.00 35.32 H new ATOM 0 HB2 LYS A 8 9.448 -2.614 -10.331 1.00 63.12 H new ATOM 0 HB3 LYS A 8 8.314 -2.077 -9.108 1.00 63.12 H new ATOM 0 HG2 LYS A 8 10.476 -2.385 -8.066 1.00 30.44 H new ATOM 0 HG3 LYS A 8 9.386 -3.613 -7.453 1.00 30.44 H new ATOM 0 HD2 LYS A 8 11.130 -5.015 -7.915 1.00 11.32 H new ATOM 0 HD3 LYS A 8 10.453 -5.001 -9.531 1.00 11.32 H new ATOM 0 HE2 LYS A 8 12.671 -3.157 -8.551 1.00 75.13 H new ATOM 0 HE3 LYS A 8 12.919 -4.608 -9.501 1.00 75.13 H new ATOM 0 HZ1 LYS A 8 12.955 -2.743 -10.944 1.00 34.43 H new ATOM 0 HZ2 LYS A 8 11.515 -3.587 -11.254 1.00 34.43 H new ATOM 0 HZ3 LYS A 8 11.480 -2.153 -10.347 1.00 34.43 H new ATOM 135 N ASP A 9 5.597 -3.802 -9.277 1.00 72.55 N ATOM 136 CA ASP A 9 4.185 -3.484 -9.527 1.00 34.22 C ATOM 137 C ASP A 9 3.828 -2.049 -9.095 1.00 13.15 C ATOM 138 O ASP A 9 4.574 -1.399 -8.353 1.00 24.34 O ATOM 139 CB ASP A 9 3.292 -4.473 -8.759 1.00 63.43 C ATOM 140 CG ASP A 9 3.727 -5.916 -8.929 1.00 4.33 C ATOM 141 OD1 ASP A 9 3.389 -6.532 -9.958 1.00 23.33 O ATOM 142 OD2 ASP A 9 4.402 -6.452 -8.022 1.00 62.35 O ATOM 0 H ASP A 9 5.771 -4.224 -8.365 1.00 72.55 H new ATOM 0 HA ASP A 9 4.017 -3.565 -10.601 1.00 34.22 H new ATOM 0 HB2 ASP A 9 3.304 -4.218 -7.699 1.00 63.43 H new ATOM 0 HB3 ASP A 9 2.263 -4.366 -9.101 1.00 63.43 H new ATOM 147 N GLU A 10 2.674 -1.565 -9.554 1.00 64.12 N ATOM 148 CA GLU A 10 2.133 -0.282 -9.092 1.00 40.21 C ATOM 149 C GLU A 10 1.029 -0.507 -8.040 1.00 31.30 C ATOM 150 O GLU A 10 0.075 -1.253 -8.265 1.00 3.24 O ATOM 151 CB GLU A 10 1.578 0.551 -10.264 1.00 41.41 C ATOM 152 CG GLU A 10 0.378 -0.068 -10.988 1.00 73.12 C ATOM 153 CD GLU A 10 0.762 -0.999 -12.128 1.00 63.34 C ATOM 154 OE1 GLU A 10 1.031 -2.189 -11.877 1.00 3.12 O ATOM 155 OE2 GLU A 10 0.762 -0.541 -13.292 1.00 23.24 O ATOM 0 H GLU A 10 2.094 -2.040 -10.245 1.00 64.12 H new ATOM 0 HA GLU A 10 2.953 0.274 -8.637 1.00 40.21 H new ATOM 0 HB2 GLU A 10 1.289 1.532 -9.888 1.00 41.41 H new ATOM 0 HB3 GLU A 10 2.377 0.710 -10.988 1.00 41.41 H new ATOM 0 HG2 GLU A 10 -0.224 -0.621 -10.267 1.00 73.12 H new ATOM 0 HG3 GLU A 10 -0.250 0.732 -11.380 1.00 73.12 H new ATOM 162 N TYR A 11 1.166 0.138 -6.888 1.00 53.21 N ATOM 163 CA TYR A 11 0.206 -0.019 -5.787 1.00 23.01 C ATOM 164 C TYR A 11 -0.888 1.056 -5.831 1.00 73.30 C ATOM 165 O TYR A 11 -0.605 2.236 -6.048 1.00 10.21 O ATOM 166 CB TYR A 11 0.936 0.044 -4.437 1.00 45.44 C ATOM 167 CG TYR A 11 1.834 -1.150 -4.150 1.00 3.11 C ATOM 168 CD1 TYR A 11 2.589 -1.750 -5.155 1.00 73.44 C ATOM 169 CD2 TYR A 11 1.929 -1.674 -2.866 1.00 22.42 C ATOM 170 CE1 TYR A 11 3.405 -2.831 -4.889 1.00 15.54 C ATOM 171 CE2 TYR A 11 2.743 -2.753 -2.595 1.00 73.02 C ATOM 172 CZ TYR A 11 3.480 -3.328 -3.608 1.00 20.33 C ATOM 173 OH TYR A 11 4.296 -4.404 -3.335 1.00 30.12 O ATOM 0 H TYR A 11 1.934 0.779 -6.685 1.00 53.21 H new ATOM 0 HA TYR A 11 -0.271 -0.992 -5.903 1.00 23.01 H new ATOM 0 HB2 TYR A 11 1.539 0.952 -4.406 1.00 45.44 H new ATOM 0 HB3 TYR A 11 0.196 0.126 -3.641 1.00 45.44 H new ATOM 0 HD1 TYR A 11 2.535 -1.362 -6.161 1.00 73.44 H new ATOM 0 HD2 TYR A 11 1.355 -1.228 -2.067 1.00 22.42 H new ATOM 0 HE1 TYR A 11 3.981 -3.284 -5.682 1.00 15.54 H new ATOM 0 HE2 TYR A 11 2.803 -3.147 -1.591 1.00 73.02 H new ATOM 0 HH TYR A 11 5.227 -4.102 -3.277 1.00 30.12 H new ATOM 183 N TYR A 12 -2.139 0.643 -5.625 1.00 70.24 N ATOM 184 CA TYR A 12 -3.268 1.579 -5.587 1.00 75.21 C ATOM 185 C TYR A 12 -3.419 2.198 -4.191 1.00 65.53 C ATOM 186 O TYR A 12 -3.797 1.515 -3.239 1.00 43.53 O ATOM 187 CB TYR A 12 -4.574 0.871 -5.970 1.00 2.21 C ATOM 188 CG TYR A 12 -4.596 0.323 -7.387 1.00 42.55 C ATOM 189 CD1 TYR A 12 -4.773 1.169 -8.477 1.00 25.03 C ATOM 190 CD2 TYR A 12 -4.456 -1.040 -7.632 1.00 73.32 C ATOM 191 CE1 TYR A 12 -4.812 0.674 -9.768 1.00 54.32 C ATOM 192 CE2 TYR A 12 -4.490 -1.540 -8.919 1.00 33.32 C ATOM 193 CZ TYR A 12 -4.668 -0.682 -9.983 1.00 4.20 C ATOM 194 OH TYR A 12 -4.713 -1.183 -11.265 1.00 34.53 O ATOM 0 H TYR A 12 -2.398 -0.333 -5.482 1.00 70.24 H new ATOM 0 HA TYR A 12 -3.063 2.370 -6.308 1.00 75.21 H new ATOM 0 HB2 TYR A 12 -4.747 0.051 -5.273 1.00 2.21 H new ATOM 0 HB3 TYR A 12 -5.401 1.571 -5.851 1.00 2.21 H new ATOM 0 HD1 TYR A 12 -4.882 2.231 -8.312 1.00 25.03 H new ATOM 0 HD2 TYR A 12 -4.319 -1.718 -6.802 1.00 73.32 H new ATOM 0 HE1 TYR A 12 -4.954 1.344 -10.603 1.00 54.32 H new ATOM 0 HE2 TYR A 12 -4.377 -2.600 -9.091 1.00 33.32 H new ATOM 0 HH TYR A 12 -4.594 -2.155 -11.241 1.00 34.53 H new ATOM 204 N VAL A 13 -3.110 3.486 -4.071 1.00 73.21 N ATOM 205 CA VAL A 13 -3.255 4.198 -2.798 1.00 0.51 C ATOM 206 C VAL A 13 -4.285 5.321 -2.894 1.00 34.12 C ATOM 207 O VAL A 13 -4.396 6.002 -3.916 1.00 51.44 O ATOM 208 CB VAL A 13 -1.903 4.783 -2.308 1.00 61.33 C ATOM 209 CG1 VAL A 13 -0.837 3.690 -2.227 1.00 23.41 C ATOM 210 CG2 VAL A 13 -1.438 5.932 -3.203 1.00 53.34 C ATOM 0 H VAL A 13 -2.758 4.060 -4.837 1.00 73.21 H new ATOM 0 HA VAL A 13 -3.602 3.461 -2.074 1.00 0.51 H new ATOM 0 HB VAL A 13 -2.057 5.185 -1.307 1.00 61.33 H new ATOM 0 HG11 VAL A 13 0.102 4.122 -1.882 1.00 23.41 H new ATOM 0 HG12 VAL A 13 -1.160 2.918 -1.528 1.00 23.41 H new ATOM 0 HG13 VAL A 13 -0.692 3.249 -3.213 1.00 23.41 H new ATOM 0 HG21 VAL A 13 -0.489 6.320 -2.833 1.00 53.34 H new ATOM 0 HG22 VAL A 13 -1.309 5.570 -4.223 1.00 53.34 H new ATOM 0 HG23 VAL A 13 -2.184 6.727 -3.192 1.00 53.34 H new ATOM 220 N GLN A 14 -5.047 5.493 -1.822 1.00 64.15 N ATOM 221 CA GLN A 14 -6.038 6.560 -1.737 1.00 15.42 C ATOM 222 C GLN A 14 -5.555 7.670 -0.792 1.00 30.43 C ATOM 223 O GLN A 14 -5.175 7.404 0.349 1.00 1.12 O ATOM 224 CB GLN A 14 -7.381 5.999 -1.250 1.00 30.05 C ATOM 225 CG GLN A 14 -8.469 7.056 -1.161 1.00 70.41 C ATOM 226 CD GLN A 14 -9.789 6.521 -0.627 1.00 53.53 C ATOM 227 OE1 GLN A 14 -10.137 5.360 -0.828 1.00 64.33 O ATOM 228 NE2 GLN A 14 -10.535 7.363 0.062 1.00 23.24 N ATOM 0 H GLN A 14 -4.997 4.902 -0.992 1.00 64.15 H new ATOM 0 HA GLN A 14 -6.173 6.986 -2.731 1.00 15.42 H new ATOM 0 HB2 GLN A 14 -7.705 5.208 -1.927 1.00 30.05 H new ATOM 0 HB3 GLN A 14 -7.244 5.543 -0.269 1.00 30.05 H new ATOM 0 HG2 GLN A 14 -8.127 7.866 -0.517 1.00 70.41 H new ATOM 0 HG3 GLN A 14 -8.632 7.483 -2.151 1.00 70.41 H new ATOM 0 HE21 GLN A 14 -10.218 8.321 0.211 1.00 23.24 H new ATOM 0 HE22 GLN A 14 -11.429 7.056 0.445 1.00 23.24 H new ATOM 237 N ILE A 15 -5.573 8.909 -1.269 1.00 24.42 N ATOM 238 CA ILE A 15 -5.078 10.048 -0.488 1.00 11.50 C ATOM 239 C ILE A 15 -5.962 10.346 0.738 1.00 42.55 C ATOM 240 O ILE A 15 -7.104 10.800 0.607 1.00 33.52 O ATOM 241 CB ILE A 15 -4.958 11.316 -1.368 1.00 43.43 C ATOM 242 CG1 ILE A 15 -3.989 11.056 -2.536 1.00 71.13 C ATOM 243 CG2 ILE A 15 -4.494 12.515 -0.537 1.00 53.13 C ATOM 244 CD1 ILE A 15 -2.592 10.664 -2.096 1.00 25.00 C ATOM 0 H ILE A 15 -5.925 9.156 -2.194 1.00 24.42 H new ATOM 0 HA ILE A 15 -4.089 9.768 -0.126 1.00 11.50 H new ATOM 0 HB ILE A 15 -5.942 11.552 -1.774 1.00 43.43 H new ATOM 0 HG12 ILE A 15 -4.397 10.265 -3.165 1.00 71.13 H new ATOM 0 HG13 ILE A 15 -3.928 11.953 -3.152 1.00 71.13 H new ATOM 0 HG21 ILE A 15 -4.417 13.394 -1.177 1.00 53.13 H new ATOM 0 HG22 ILE A 15 -5.214 12.707 0.258 1.00 53.13 H new ATOM 0 HG23 ILE A 15 -3.519 12.299 -0.099 1.00 53.13 H new ATOM 0 HD11 ILE A 15 -1.967 10.497 -2.974 1.00 25.00 H new ATOM 0 HD12 ILE A 15 -2.163 11.463 -1.492 1.00 25.00 H new ATOM 0 HD13 ILE A 15 -2.640 9.749 -1.506 1.00 25.00 H new ATOM 256 N THR A 16 -5.422 10.071 1.925 1.00 32.22 N ATOM 257 CA THR A 16 -6.123 10.334 3.190 1.00 4.54 C ATOM 258 C THR A 16 -5.452 11.469 3.984 1.00 32.31 C ATOM 259 O THR A 16 -6.030 12.541 4.166 1.00 10.22 O ATOM 260 CB THR A 16 -6.167 9.065 4.078 1.00 31.51 C ATOM 261 OG1 THR A 16 -4.832 8.611 4.353 1.00 31.24 O ATOM 262 CG2 THR A 16 -6.955 7.945 3.403 1.00 41.42 C ATOM 0 H THR A 16 -4.494 9.663 2.041 1.00 32.22 H new ATOM 0 HA THR A 16 -7.138 10.633 2.928 1.00 4.54 H new ATOM 0 HB THR A 16 -6.667 9.326 5.011 1.00 31.51 H new ATOM 0 HG1 THR A 16 -4.868 7.810 4.916 1.00 31.24 H new ATOM 0 HG21 THR A 16 -6.968 7.068 4.050 1.00 41.42 H new ATOM 0 HG22 THR A 16 -7.977 8.277 3.222 1.00 41.42 H new ATOM 0 HG23 THR A 16 -6.483 7.689 2.454 1.00 41.42 H new ATOM 270 N VAL A 17 -4.228 11.222 4.456 1.00 31.24 N ATOM 271 CA VAL A 17 -3.472 12.218 5.232 1.00 1.32 C ATOM 272 C VAL A 17 -2.595 13.110 4.330 1.00 72.42 C ATOM 273 O VAL A 17 -1.784 12.620 3.541 1.00 72.33 O ATOM 274 CB VAL A 17 -2.588 11.537 6.315 1.00 61.40 C ATOM 275 CG1 VAL A 17 -3.458 10.823 7.348 1.00 24.33 C ATOM 276 CG2 VAL A 17 -1.593 10.564 5.680 1.00 35.20 C ATOM 0 H VAL A 17 -3.735 10.340 4.316 1.00 31.24 H new ATOM 0 HA VAL A 17 -4.209 12.852 5.724 1.00 1.32 H new ATOM 0 HB VAL A 17 -2.018 12.315 6.824 1.00 61.40 H new ATOM 0 HG11 VAL A 17 -2.821 10.353 8.097 1.00 24.33 H new ATOM 0 HG12 VAL A 17 -4.115 11.545 7.832 1.00 24.33 H new ATOM 0 HG13 VAL A 17 -4.059 10.061 6.853 1.00 24.33 H new ATOM 0 HG21 VAL A 17 -0.988 10.102 6.460 1.00 35.20 H new ATOM 0 HG22 VAL A 17 -2.136 9.791 5.137 1.00 35.20 H new ATOM 0 HG23 VAL A 17 -0.945 11.105 4.990 1.00 35.20 H new ATOM 286 N ASP A 18 -2.780 14.427 4.440 1.00 54.05 N ATOM 287 CA ASP A 18 -2.018 15.391 3.633 1.00 53.32 C ATOM 288 C ASP A 18 -1.438 16.532 4.491 1.00 2.30 C ATOM 289 O ASP A 18 -1.627 16.572 5.707 1.00 72.13 O ATOM 290 CB ASP A 18 -2.924 15.973 2.540 1.00 24.53 C ATOM 291 CG ASP A 18 -4.027 16.858 3.100 1.00 15.21 C ATOM 292 OD1 ASP A 18 -4.817 16.382 3.944 1.00 62.31 O ATOM 293 OD2 ASP A 18 -4.109 18.039 2.699 1.00 22.23 O ATOM 0 H ASP A 18 -3.450 14.854 5.079 1.00 54.05 H new ATOM 0 HA ASP A 18 -1.180 14.860 3.183 1.00 53.32 H new ATOM 0 HB2 ASP A 18 -2.319 16.552 1.842 1.00 24.53 H new ATOM 0 HB3 ASP A 18 -3.372 15.157 1.973 1.00 24.53 H new ATOM 298 N GLY A 19 -0.717 17.450 3.841 1.00 44.00 N ATOM 299 CA GLY A 19 -0.276 18.686 4.495 1.00 61.14 C ATOM 300 C GLY A 19 0.812 18.507 5.555 1.00 11.12 C ATOM 301 O GLY A 19 1.138 19.454 6.268 1.00 32.11 O ATOM 0 H GLY A 19 -0.427 17.362 2.867 1.00 44.00 H new ATOM 0 HA2 GLY A 19 0.092 19.371 3.731 1.00 61.14 H new ATOM 0 HA3 GLY A 19 -1.140 19.161 4.960 1.00 61.14 H new ATOM 305 N LYS A 20 1.375 17.309 5.671 1.00 13.10 N ATOM 306 CA LYS A 20 2.414 17.047 6.672 1.00 33.32 C ATOM 307 C LYS A 20 3.798 17.491 6.170 1.00 50.34 C ATOM 308 O LYS A 20 4.479 16.747 5.470 1.00 40.21 O ATOM 309 CB LYS A 20 2.437 15.556 7.038 1.00 43.23 C ATOM 310 CG LYS A 20 1.093 15.022 7.532 1.00 63.02 C ATOM 311 CD LYS A 20 0.585 15.792 8.750 1.00 44.11 C ATOM 312 CE LYS A 20 -0.751 15.249 9.251 1.00 23.42 C ATOM 313 NZ LYS A 20 -0.644 13.838 9.703 1.00 22.05 N ATOM 0 H LYS A 20 1.134 16.506 5.090 1.00 13.10 H new ATOM 0 HA LYS A 20 2.176 17.629 7.562 1.00 33.32 H new ATOM 0 HB2 LYS A 20 2.747 14.982 6.165 1.00 43.23 H new ATOM 0 HB3 LYS A 20 3.189 15.392 7.810 1.00 43.23 H new ATOM 0 HG2 LYS A 20 0.359 15.088 6.729 1.00 63.02 H new ATOM 0 HG3 LYS A 20 1.193 13.967 7.786 1.00 63.02 H new ATOM 0 HD2 LYS A 20 1.323 15.734 9.550 1.00 44.11 H new ATOM 0 HD3 LYS A 20 0.475 16.846 8.493 1.00 44.11 H new ATOM 0 HE2 LYS A 20 -1.108 15.867 10.075 1.00 23.42 H new ATOM 0 HE3 LYS A 20 -1.492 15.319 8.455 1.00 23.42 H new ATOM 0 HZ1 LYS A 20 -1.507 13.572 10.218 1.00 22.05 H new ATOM 0 HZ2 LYS A 20 -0.529 13.217 8.877 1.00 22.05 H new ATOM 0 HZ3 LYS A 20 0.179 13.736 10.330 1.00 22.05 H new ATOM 327 N GLU A 21 4.203 18.710 6.517 1.00 50.44 N ATOM 328 CA GLU A 21 5.486 19.254 6.051 1.00 40.20 C ATOM 329 C GLU A 21 6.679 18.653 6.813 1.00 30.14 C ATOM 330 O GLU A 21 6.681 18.580 8.044 1.00 3.03 O ATOM 331 CB GLU A 21 5.504 20.789 6.167 1.00 1.41 C ATOM 332 CG GLU A 21 5.231 21.319 7.575 1.00 43.34 C ATOM 333 CD GLU A 21 5.379 22.832 7.680 1.00 12.24 C ATOM 334 OE1 GLU A 21 4.590 23.560 7.044 1.00 75.01 O ATOM 335 OE2 GLU A 21 6.296 23.301 8.384 1.00 64.33 O ATOM 0 H GLU A 21 3.669 19.340 7.115 1.00 50.44 H new ATOM 0 HA GLU A 21 5.587 18.975 5.002 1.00 40.20 H new ATOM 0 HB2 GLU A 21 6.476 21.155 5.836 1.00 1.41 H new ATOM 0 HB3 GLU A 21 4.760 21.201 5.486 1.00 1.41 H new ATOM 0 HG2 GLU A 21 4.222 21.036 7.874 1.00 43.34 H new ATOM 0 HG3 GLU A 21 5.917 20.843 8.276 1.00 43.34 H new ATOM 342 N VAL A 22 7.691 18.209 6.070 1.00 31.33 N ATOM 343 CA VAL A 22 8.928 17.712 6.675 1.00 53.45 C ATOM 344 C VAL A 22 9.912 18.870 6.940 1.00 64.03 C ATOM 345 O VAL A 22 10.813 19.154 6.150 1.00 11.43 O ATOM 346 CB VAL A 22 9.595 16.601 5.815 1.00 33.11 C ATOM 347 CG1 VAL A 22 8.707 15.356 5.770 1.00 64.20 C ATOM 348 CG2 VAL A 22 9.895 17.093 4.399 1.00 22.31 C ATOM 0 H VAL A 22 7.680 18.183 5.050 1.00 31.33 H new ATOM 0 HA VAL A 22 8.661 17.260 7.630 1.00 53.45 H new ATOM 0 HB VAL A 22 10.544 16.341 6.285 1.00 33.11 H new ATOM 0 HG11 VAL A 22 9.188 14.588 5.164 1.00 64.20 H new ATOM 0 HG12 VAL A 22 8.557 14.979 6.782 1.00 64.20 H new ATOM 0 HG13 VAL A 22 7.743 15.613 5.332 1.00 64.20 H new ATOM 0 HG21 VAL A 22 10.361 16.291 3.826 1.00 22.31 H new ATOM 0 HG22 VAL A 22 8.966 17.394 3.914 1.00 22.31 H new ATOM 0 HG23 VAL A 22 10.572 17.946 4.446 1.00 22.31 H new ATOM 358 N HIS A 23 9.686 19.567 8.046 1.00 31.23 N ATOM 359 CA HIS A 23 10.524 20.707 8.442 1.00 1.13 C ATOM 360 C HIS A 23 11.330 20.379 9.714 1.00 5.22 C ATOM 361 O HIS A 23 11.737 21.281 10.454 1.00 62.15 O ATOM 362 CB HIS A 23 9.629 21.932 8.681 1.00 33.40 C ATOM 363 CG HIS A 23 10.383 23.202 8.946 1.00 65.13 C ATOM 364 ND1 HIS A 23 11.233 23.778 8.025 1.00 34.15 N ATOM 365 CD2 HIS A 23 10.426 23.999 10.041 1.00 51.11 C ATOM 366 CE1 HIS A 23 11.764 24.868 8.539 1.00 63.35 C ATOM 367 NE2 HIS A 23 11.293 25.028 9.760 1.00 4.12 N ATOM 0 H HIS A 23 8.924 19.366 8.694 1.00 31.23 H new ATOM 0 HA HIS A 23 11.233 20.922 7.642 1.00 1.13 H new ATOM 0 HB2 HIS A 23 8.990 22.077 7.810 1.00 33.40 H new ATOM 0 HB3 HIS A 23 8.973 21.729 9.527 1.00 33.40 H new ATOM 0 HD2 HIS A 23 9.881 23.853 10.962 1.00 51.11 H new ATOM 0 HE1 HIS A 23 12.467 25.521 8.044 1.00 63.35 H new ATOM 0 HE2 HIS A 23 11.533 25.791 10.393 1.00 4.12 H new ATOM 376 N SER A 24 11.593 19.090 9.933 1.00 2.35 N ATOM 377 CA SER A 24 12.180 18.609 11.198 1.00 13.03 C ATOM 378 C SER A 24 13.411 19.416 11.635 1.00 51.43 C ATOM 379 O SER A 24 13.422 19.985 12.731 1.00 51.24 O ATOM 380 CB SER A 24 12.552 17.125 11.096 1.00 11.03 C ATOM 381 OG SER A 24 13.085 16.644 12.322 1.00 21.14 O ATOM 0 H SER A 24 11.410 18.353 9.252 1.00 2.35 H new ATOM 0 HA SER A 24 11.411 18.747 11.958 1.00 13.03 H new ATOM 0 HB2 SER A 24 11.670 16.544 10.827 1.00 11.03 H new ATOM 0 HB3 SER A 24 13.282 16.984 10.299 1.00 11.03 H new ATOM 0 HG SER A 24 13.312 15.695 12.230 1.00 21.14 H new ATOM 387 N LYS A 25 14.442 19.469 10.788 1.00 72.02 N ATOM 388 CA LYS A 25 15.688 20.177 11.140 1.00 74.44 C ATOM 389 C LYS A 25 16.707 20.176 9.983 1.00 23.15 C ATOM 390 O LYS A 25 17.660 19.391 9.994 1.00 35.32 O ATOM 391 CB LYS A 25 16.316 19.531 12.389 1.00 12.22 C ATOM 392 CG LYS A 25 17.570 20.229 12.908 1.00 62.24 C ATOM 393 CD LYS A 25 18.206 19.455 14.061 1.00 72.50 C ATOM 394 CE LYS A 25 19.470 20.139 14.568 1.00 0.33 C ATOM 395 NZ LYS A 25 19.193 21.488 15.128 1.00 70.35 N ATOM 0 H LYS A 25 14.446 19.038 9.864 1.00 72.02 H new ATOM 0 HA LYS A 25 15.429 21.216 11.345 1.00 74.44 H new ATOM 0 HB2 LYS A 25 15.571 19.513 13.185 1.00 12.22 H new ATOM 0 HB3 LYS A 25 16.563 18.494 12.160 1.00 12.22 H new ATOM 0 HG2 LYS A 25 18.291 20.334 12.097 1.00 62.24 H new ATOM 0 HG3 LYS A 25 17.316 21.235 13.241 1.00 62.24 H new ATOM 0 HD2 LYS A 25 17.489 19.363 14.877 1.00 72.50 H new ATOM 0 HD3 LYS A 25 18.446 18.444 13.732 1.00 72.50 H new ATOM 0 HE2 LYS A 25 19.935 19.518 15.334 1.00 0.33 H new ATOM 0 HE3 LYS A 25 20.186 20.227 13.751 1.00 0.33 H new ATOM 0 HZ1 LYS A 25 20.037 21.837 15.626 1.00 70.35 H new ATOM 0 HZ2 LYS A 25 18.951 22.141 14.356 1.00 70.35 H new ATOM 0 HZ3 LYS A 25 18.397 21.430 15.795 1.00 70.35 H new ATOM 409 N ALA A 26 16.484 21.041 8.980 1.00 12.22 N ATOM 410 CA ALA A 26 17.417 21.214 7.843 1.00 44.45 C ATOM 411 C ALA A 26 18.021 19.876 7.375 1.00 2.54 C ATOM 412 O ALA A 26 19.236 19.752 7.197 1.00 23.42 O ATOM 413 CB ALA A 26 18.519 22.200 8.224 1.00 33.12 C ATOM 0 H ALA A 26 15.659 21.639 8.930 1.00 12.22 H new ATOM 0 HA ALA A 26 16.848 21.613 7.004 1.00 44.45 H new ATOM 0 HB1 ALA A 26 19.203 22.324 7.384 1.00 33.12 H new ATOM 0 HB2 ALA A 26 18.075 23.163 8.475 1.00 33.12 H new ATOM 0 HB3 ALA A 26 19.067 21.818 9.085 1.00 33.12 H new ATOM 419 N ASP A 27 17.149 18.899 7.141 1.00 50.01 N ATOM 420 CA ASP A 27 17.545 17.499 6.922 1.00 25.31 C ATOM 421 C ASP A 27 18.467 17.270 5.699 1.00 14.11 C ATOM 422 O ASP A 27 18.895 16.141 5.457 1.00 72.32 O ATOM 423 CB ASP A 27 16.284 16.641 6.801 1.00 25.12 C ATOM 424 CG ASP A 27 15.438 16.703 8.063 1.00 11.34 C ATOM 425 OD1 ASP A 27 14.765 17.731 8.284 1.00 54.03 O ATOM 426 OD2 ASP A 27 15.454 15.726 8.848 1.00 30.12 O ATOM 0 H ASP A 27 16.141 19.051 7.097 1.00 50.01 H new ATOM 0 HA ASP A 27 18.142 17.208 7.786 1.00 25.31 H new ATOM 0 HB2 ASP A 27 15.693 16.980 5.950 1.00 25.12 H new ATOM 0 HB3 ASP A 27 16.565 15.607 6.602 1.00 25.12 H new ATOM 431 N ASN A 28 18.772 18.315 4.931 1.00 20.13 N ATOM 432 CA ASN A 28 19.711 18.181 3.803 1.00 33.41 C ATOM 433 C ASN A 28 20.600 19.433 3.650 1.00 75.31 C ATOM 434 O ASN A 28 21.310 19.590 2.655 1.00 41.20 O ATOM 435 CB ASN A 28 18.943 17.900 2.502 1.00 22.33 C ATOM 436 CG ASN A 28 19.843 17.364 1.400 1.00 61.30 C ATOM 437 OD1 ASN A 28 20.839 16.695 1.663 1.00 52.02 O ATOM 438 ND2 ASN A 28 19.497 17.642 0.161 1.00 62.45 N ATOM 0 H ASN A 28 18.393 19.253 5.061 1.00 20.13 H new ATOM 0 HA ASN A 28 20.368 17.338 4.014 1.00 33.41 H new ATOM 0 HB2 ASN A 28 18.149 17.180 2.701 1.00 22.33 H new ATOM 0 HB3 ASN A 28 18.464 18.818 2.161 1.00 22.33 H new ATOM 0 HD21 ASN A 28 20.062 17.299 -0.616 1.00 62.45 H new ATOM 0 HD22 ASN A 28 18.663 18.200 -0.023 1.00 62.45 H new ATOM 445 N GLY A 29 20.573 20.311 4.651 1.00 54.24 N ATOM 446 CA GLY A 29 21.401 21.518 4.627 1.00 51.03 C ATOM 447 C GLY A 29 20.592 22.810 4.676 1.00 51.21 C ATOM 448 O GLY A 29 20.947 23.744 5.393 1.00 3.02 O ATOM 0 H GLY A 29 19.992 20.212 5.483 1.00 54.24 H new ATOM 0 HA2 GLY A 29 22.087 21.496 5.474 1.00 51.03 H new ATOM 0 HA3 GLY A 29 22.010 21.514 3.723 1.00 51.03 H new ATOM 452 N GLN A 30 19.494 22.860 3.925 1.00 33.24 N ATOM 453 CA GLN A 30 18.630 24.048 3.896 1.00 43.44 C ATOM 454 C GLN A 30 17.263 23.752 4.534 1.00 61.01 C ATOM 455 O GLN A 30 16.846 22.594 4.622 1.00 51.34 O ATOM 456 CB GLN A 30 18.447 24.567 2.452 1.00 74.34 C ATOM 457 CG GLN A 30 17.393 23.834 1.606 1.00 22.11 C ATOM 458 CD GLN A 30 17.826 22.463 1.092 1.00 32.35 C ATOM 459 OE1 GLN A 30 18.605 21.755 1.714 1.00 23.14 O ATOM 460 NE2 GLN A 30 17.317 22.079 -0.064 1.00 5.41 N ATOM 0 H GLN A 30 19.178 22.096 3.328 1.00 33.24 H new ATOM 0 HA GLN A 30 19.121 24.826 4.481 1.00 43.44 H new ATOM 0 HB2 GLN A 30 18.179 25.623 2.497 1.00 74.34 H new ATOM 0 HB3 GLN A 30 19.406 24.503 1.939 1.00 74.34 H new ATOM 0 HG2 GLN A 30 16.488 23.714 2.202 1.00 22.11 H new ATOM 0 HG3 GLN A 30 17.132 24.461 0.753 1.00 22.11 H new ATOM 0 HE21 GLN A 30 16.669 22.688 -0.563 1.00 5.41 H new ATOM 0 HE22 GLN A 30 17.572 21.173 -0.458 1.00 5.41 H new ATOM 469 N LYS A 31 16.565 24.796 4.974 1.00 3.01 N ATOM 470 CA LYS A 31 15.250 24.627 5.613 1.00 4.35 C ATOM 471 C LYS A 31 14.105 24.480 4.589 1.00 44.45 C ATOM 472 O LYS A 31 13.170 25.283 4.542 1.00 13.45 O ATOM 473 CB LYS A 31 14.973 25.762 6.623 1.00 13.12 C ATOM 474 CG LYS A 31 15.429 27.169 6.202 1.00 30.13 C ATOM 475 CD LYS A 31 14.528 27.811 5.147 1.00 12.41 C ATOM 476 CE LYS A 31 14.992 29.220 4.793 1.00 64.21 C ATOM 477 NZ LYS A 31 14.077 29.887 3.827 1.00 23.33 N ATOM 0 H LYS A 31 16.880 25.764 4.904 1.00 3.01 H new ATOM 0 HA LYS A 31 15.285 23.688 6.165 1.00 4.35 H new ATOM 0 HB2 LYS A 31 13.901 25.793 6.819 1.00 13.12 H new ATOM 0 HB3 LYS A 31 15.462 25.510 7.564 1.00 13.12 H new ATOM 0 HG2 LYS A 31 15.459 27.811 7.082 1.00 30.13 H new ATOM 0 HG3 LYS A 31 16.446 27.112 5.814 1.00 30.13 H new ATOM 0 HD2 LYS A 31 14.522 27.193 4.249 1.00 12.41 H new ATOM 0 HD3 LYS A 31 13.503 27.847 5.516 1.00 12.41 H new ATOM 0 HE2 LYS A 31 15.057 29.818 5.702 1.00 64.21 H new ATOM 0 HE3 LYS A 31 15.995 29.175 4.369 1.00 64.21 H new ATOM 0 HZ1 LYS A 31 14.431 30.842 3.615 1.00 23.33 H new ATOM 0 HZ2 LYS A 31 14.034 29.331 2.949 1.00 23.33 H new ATOM 0 HZ3 LYS A 31 13.125 29.955 4.241 1.00 23.33 H new ATOM 491 N TYR A 32 14.184 23.427 3.782 1.00 72.22 N ATOM 492 CA TYR A 32 13.141 23.116 2.794 1.00 3.33 C ATOM 493 C TYR A 32 12.001 22.320 3.443 1.00 65.25 C ATOM 494 O TYR A 32 12.156 21.777 4.539 1.00 5.54 O ATOM 495 CB TYR A 32 13.735 22.320 1.617 1.00 35.04 C ATOM 496 CG TYR A 32 14.188 20.911 1.981 1.00 73.15 C ATOM 497 CD1 TYR A 32 15.377 20.696 2.670 1.00 10.13 C ATOM 498 CD2 TYR A 32 13.428 19.798 1.628 1.00 75.52 C ATOM 499 CE1 TYR A 32 15.793 19.420 2.998 1.00 13.31 C ATOM 500 CE2 TYR A 32 13.839 18.519 1.955 1.00 14.32 C ATOM 501 CZ TYR A 32 15.022 18.334 2.639 1.00 15.42 C ATOM 502 OH TYR A 32 15.438 17.058 2.957 1.00 32.12 O ATOM 0 H TYR A 32 14.962 22.767 3.789 1.00 72.22 H new ATOM 0 HA TYR A 32 12.739 24.056 2.417 1.00 3.33 H new ATOM 0 HB2 TYR A 32 12.990 22.257 0.823 1.00 35.04 H new ATOM 0 HB3 TYR A 32 14.585 22.870 1.213 1.00 35.04 H new ATOM 0 HD1 TYR A 32 15.986 21.542 2.954 1.00 10.13 H new ATOM 0 HD2 TYR A 32 12.502 19.937 1.090 1.00 75.52 H new ATOM 0 HE1 TYR A 32 16.719 19.273 3.534 1.00 13.31 H new ATOM 0 HE2 TYR A 32 13.236 17.668 1.676 1.00 14.32 H new ATOM 0 HH TYR A 32 14.779 16.409 2.633 1.00 32.12 H new ATOM 512 N LYS A 33 10.847 22.259 2.774 1.00 51.11 N ATOM 513 CA LYS A 33 9.692 21.516 3.301 1.00 53.25 C ATOM 514 C LYS A 33 8.890 20.820 2.189 1.00 73.54 C ATOM 515 O LYS A 33 8.276 21.479 1.349 1.00 14.53 O ATOM 516 CB LYS A 33 8.746 22.450 4.074 1.00 1.44 C ATOM 517 CG LYS A 33 9.407 23.241 5.200 1.00 44.05 C ATOM 518 CD LYS A 33 8.379 23.983 6.043 1.00 30.20 C ATOM 519 CE LYS A 33 7.511 24.903 5.202 1.00 21.33 C ATOM 520 NZ LYS A 33 6.428 25.527 6.002 1.00 73.05 N ATOM 0 H LYS A 33 10.685 22.710 1.874 1.00 51.11 H new ATOM 0 HA LYS A 33 10.097 20.755 3.968 1.00 53.25 H new ATOM 0 HB2 LYS A 33 8.297 23.152 3.371 1.00 1.44 H new ATOM 0 HB3 LYS A 33 7.935 21.856 4.494 1.00 1.44 H new ATOM 0 HG2 LYS A 33 9.978 22.563 5.835 1.00 44.05 H new ATOM 0 HG3 LYS A 33 10.115 23.954 4.777 1.00 44.05 H new ATOM 0 HD2 LYS A 33 7.747 23.262 6.562 1.00 30.20 H new ATOM 0 HD3 LYS A 33 8.891 24.567 6.808 1.00 30.20 H new ATOM 0 HE2 LYS A 33 8.131 25.683 4.760 1.00 21.33 H new ATOM 0 HE3 LYS A 33 7.074 24.338 4.379 1.00 21.33 H new ATOM 0 HZ1 LYS A 33 6.068 26.366 5.504 1.00 73.05 H new ATOM 0 HZ2 LYS A 33 5.655 24.844 6.132 1.00 73.05 H new ATOM 0 HZ3 LYS A 33 6.801 25.809 6.931 1.00 73.05 H new ATOM 534 N ASP A 34 8.897 19.493 2.189 1.00 43.25 N ATOM 535 CA ASP A 34 8.004 18.715 1.325 1.00 45.41 C ATOM 536 C ASP A 34 6.819 18.168 2.141 1.00 35.03 C ATOM 537 O ASP A 34 6.988 17.746 3.287 1.00 13.04 O ATOM 538 CB ASP A 34 8.754 17.551 0.663 1.00 3.52 C ATOM 539 CG ASP A 34 9.844 18.000 -0.297 1.00 22.55 C ATOM 540 OD1 ASP A 34 9.657 19.014 -0.993 1.00 33.05 O ATOM 541 OD2 ASP A 34 10.894 17.321 -0.373 1.00 11.14 O ATOM 0 H ASP A 34 9.510 18.928 2.777 1.00 43.25 H new ATOM 0 HA ASP A 34 7.632 19.377 0.543 1.00 45.41 H new ATOM 0 HB2 ASP A 34 9.198 16.927 1.439 1.00 3.52 H new ATOM 0 HB3 ASP A 34 8.040 16.929 0.124 1.00 3.52 H new ATOM 546 N TYR A 35 5.625 18.191 1.560 1.00 52.14 N ATOM 547 CA TYR A 35 4.432 17.640 2.215 1.00 31.34 C ATOM 548 C TYR A 35 4.355 16.116 2.018 1.00 4.33 C ATOM 549 O TYR A 35 4.112 15.626 0.914 1.00 13.15 O ATOM 550 CB TYR A 35 3.166 18.314 1.671 1.00 61.13 C ATOM 551 CG TYR A 35 3.173 19.826 1.818 1.00 55.42 C ATOM 552 CD1 TYR A 35 3.037 20.424 3.066 1.00 45.55 C ATOM 553 CD2 TYR A 35 3.323 20.653 0.709 1.00 60.20 C ATOM 554 CE1 TYR A 35 3.047 21.801 3.205 1.00 44.22 C ATOM 555 CE2 TYR A 35 3.336 22.029 0.840 1.00 63.44 C ATOM 556 CZ TYR A 35 3.195 22.597 2.088 1.00 25.43 C ATOM 557 OH TYR A 35 3.214 23.968 2.221 1.00 42.22 O ATOM 0 H TYR A 35 5.451 18.585 0.635 1.00 52.14 H new ATOM 0 HA TYR A 35 4.504 17.842 3.284 1.00 31.34 H new ATOM 0 HB2 TYR A 35 3.053 18.060 0.617 1.00 61.13 H new ATOM 0 HB3 TYR A 35 2.297 17.910 2.191 1.00 61.13 H new ATOM 0 HD1 TYR A 35 2.922 19.803 3.942 1.00 45.55 H new ATOM 0 HD2 TYR A 35 3.431 20.212 -0.271 1.00 60.20 H new ATOM 0 HE1 TYR A 35 2.940 22.249 4.182 1.00 44.22 H new ATOM 0 HE2 TYR A 35 3.456 22.656 -0.031 1.00 63.44 H new ATOM 0 HH TYR A 35 3.327 24.381 1.339 1.00 42.22 H new ATOM 567 N GLU A 36 4.574 15.377 3.099 1.00 34.23 N ATOM 568 CA GLU A 36 4.623 13.914 3.059 1.00 52.33 C ATOM 569 C GLU A 36 3.227 13.270 3.134 1.00 21.04 C ATOM 570 O GLU A 36 2.408 13.616 3.992 1.00 43.53 O ATOM 571 CB GLU A 36 5.465 13.391 4.226 1.00 34.12 C ATOM 572 CG GLU A 36 5.616 11.873 4.234 1.00 20.14 C ATOM 573 CD GLU A 36 5.931 11.324 5.611 1.00 43.42 C ATOM 574 OE1 GLU A 36 7.114 11.295 5.995 1.00 4.43 O ATOM 575 OE2 GLU A 36 4.989 10.913 6.318 1.00 74.01 O ATOM 0 H GLU A 36 4.723 15.771 4.028 1.00 34.23 H new ATOM 0 HA GLU A 36 5.069 13.641 2.102 1.00 52.33 H new ATOM 0 HB2 GLU A 36 6.454 13.847 4.183 1.00 34.12 H new ATOM 0 HB3 GLU A 36 5.009 13.708 5.164 1.00 34.12 H new ATOM 0 HG2 GLU A 36 4.695 11.418 3.868 1.00 20.14 H new ATOM 0 HG3 GLU A 36 6.409 11.587 3.543 1.00 20.14 H new ATOM 582 N TYR A 37 2.974 12.322 2.236 1.00 24.42 N ATOM 583 CA TYR A 37 1.775 11.479 2.296 1.00 40.30 C ATOM 584 C TYR A 37 2.153 10.048 2.722 1.00 21.42 C ATOM 585 O TYR A 37 2.636 9.259 1.908 1.00 21.22 O ATOM 586 CB TYR A 37 1.068 11.442 0.931 1.00 21.43 C ATOM 587 CG TYR A 37 0.518 12.780 0.462 1.00 65.32 C ATOM 588 CD1 TYR A 37 1.359 13.775 -0.030 1.00 53.32 C ATOM 589 CD2 TYR A 37 -0.848 13.041 0.499 1.00 73.45 C ATOM 590 CE1 TYR A 37 0.854 14.988 -0.466 1.00 31.13 C ATOM 591 CE2 TYR A 37 -1.357 14.248 0.062 1.00 23.45 C ATOM 592 CZ TYR A 37 -0.506 15.218 -0.419 1.00 10.42 C ATOM 593 OH TYR A 37 -1.019 16.422 -0.856 1.00 10.15 O ATOM 0 H TYR A 37 3.588 12.114 1.449 1.00 24.42 H new ATOM 0 HA TYR A 37 1.094 11.906 3.032 1.00 40.30 H new ATOM 0 HB2 TYR A 37 1.770 11.071 0.184 1.00 21.43 H new ATOM 0 HB3 TYR A 37 0.248 10.725 0.981 1.00 21.43 H new ATOM 0 HD1 TYR A 37 2.423 13.597 -0.072 1.00 53.32 H new ATOM 0 HD2 TYR A 37 -1.522 12.286 0.876 1.00 73.45 H new ATOM 0 HE1 TYR A 37 1.521 15.750 -0.841 1.00 31.13 H new ATOM 0 HE2 TYR A 37 -2.421 14.431 0.097 1.00 23.45 H new ATOM 0 HH TYR A 37 -1.994 16.418 -0.755 1.00 10.15 H new ATOM 603 N LYS A 38 1.972 9.731 4.006 1.00 62.14 N ATOM 604 CA LYS A 38 2.261 8.384 4.526 1.00 50.41 C ATOM 605 C LYS A 38 0.974 7.552 4.648 1.00 73.03 C ATOM 606 O LYS A 38 0.164 7.760 5.555 1.00 60.35 O ATOM 607 CB LYS A 38 2.974 8.476 5.888 1.00 3.04 C ATOM 608 CG LYS A 38 3.256 7.123 6.541 1.00 2.50 C ATOM 609 CD LYS A 38 4.022 7.256 7.864 1.00 61.43 C ATOM 610 CE LYS A 38 5.538 7.353 7.666 1.00 20.53 C ATOM 611 NZ LYS A 38 5.967 8.610 6.993 1.00 74.31 N ATOM 0 H LYS A 38 1.627 10.386 4.708 1.00 62.14 H new ATOM 0 HA LYS A 38 2.922 7.882 3.819 1.00 50.41 H new ATOM 0 HB2 LYS A 38 3.917 9.007 5.757 1.00 3.04 H new ATOM 0 HB3 LYS A 38 2.364 9.073 6.565 1.00 3.04 H new ATOM 0 HG2 LYS A 38 2.313 6.607 6.721 1.00 2.50 H new ATOM 0 HG3 LYS A 38 3.831 6.504 5.853 1.00 2.50 H new ATOM 0 HD2 LYS A 38 3.672 8.142 8.393 1.00 61.43 H new ATOM 0 HD3 LYS A 38 3.797 6.397 8.496 1.00 61.43 H new ATOM 0 HE2 LYS A 38 6.029 7.283 8.637 1.00 20.53 H new ATOM 0 HE3 LYS A 38 5.875 6.501 7.076 1.00 20.53 H new ATOM 0 HZ1 LYS A 38 6.913 8.880 7.332 1.00 74.31 H new ATOM 0 HZ2 LYS A 38 5.997 8.460 5.964 1.00 74.31 H new ATOM 0 HZ3 LYS A 38 5.291 9.369 7.212 1.00 74.31 H new ATOM 625 N LEU A 39 0.795 6.605 3.732 1.00 1.22 N ATOM 626 CA LEU A 39 -0.428 5.797 3.666 1.00 63.33 C ATOM 627 C LEU A 39 -0.134 4.326 3.311 1.00 14.13 C ATOM 628 O LEU A 39 0.995 3.968 2.961 1.00 13.43 O ATOM 629 CB LEU A 39 -1.403 6.428 2.653 1.00 53.52 C ATOM 630 CG LEU A 39 -0.755 7.043 1.392 1.00 31.44 C ATOM 631 CD1 LEU A 39 -0.081 5.977 0.531 1.00 12.23 C ATOM 632 CD2 LEU A 39 -1.788 7.825 0.581 1.00 44.23 C ATOM 0 H LEU A 39 1.485 6.374 3.018 1.00 1.22 H new ATOM 0 HA LEU A 39 -0.887 5.790 4.654 1.00 63.33 H new ATOM 0 HB2 LEU A 39 -2.115 5.665 2.338 1.00 53.52 H new ATOM 0 HB3 LEU A 39 -1.974 7.205 3.162 1.00 53.52 H new ATOM 0 HG LEU A 39 0.020 7.735 1.722 1.00 31.44 H new ATOM 0 HD11 LEU A 39 0.364 6.446 -0.347 1.00 12.23 H new ATOM 0 HD12 LEU A 39 0.697 5.480 1.110 1.00 12.23 H new ATOM 0 HD13 LEU A 39 -0.822 5.243 0.214 1.00 12.23 H new ATOM 0 HD21 LEU A 39 -1.311 8.250 -0.302 1.00 44.23 H new ATOM 0 HD22 LEU A 39 -2.591 7.156 0.273 1.00 44.23 H new ATOM 0 HD23 LEU A 39 -2.199 8.628 1.193 1.00 44.23 H new ATOM 644 N THR A 40 -1.158 3.476 3.403 1.00 52.50 N ATOM 645 CA THR A 40 -1.008 2.043 3.105 1.00 35.30 C ATOM 646 C THR A 40 -1.428 1.719 1.664 1.00 33.11 C ATOM 647 O THR A 40 -2.540 2.040 1.243 1.00 45.34 O ATOM 648 CB THR A 40 -1.840 1.164 4.077 1.00 42.24 C ATOM 649 OG1 THR A 40 -1.427 1.396 5.432 1.00 64.34 O ATOM 650 CG2 THR A 40 -1.690 -0.321 3.751 1.00 42.04 C ATOM 0 H THR A 40 -2.100 3.750 3.681 1.00 52.50 H new ATOM 0 HA THR A 40 0.050 1.815 3.232 1.00 35.30 H new ATOM 0 HB THR A 40 -2.887 1.441 3.958 1.00 42.24 H new ATOM 0 HG1 THR A 40 -1.959 0.838 6.036 1.00 64.34 H new ATOM 0 HG21 THR A 40 -2.285 -0.909 4.450 1.00 42.04 H new ATOM 0 HG22 THR A 40 -2.036 -0.507 2.734 1.00 42.04 H new ATOM 0 HG23 THR A 40 -0.642 -0.608 3.836 1.00 42.04 H new ATOM 658 N GLY A 41 -0.532 1.083 0.916 1.00 34.42 N ATOM 659 CA GLY A 41 -0.837 0.666 -0.446 1.00 21.55 C ATOM 660 C GLY A 41 -1.177 -0.817 -0.543 1.00 44.00 C ATOM 661 O GLY A 41 -0.481 -1.662 0.031 1.00 74.24 O ATOM 0 H GLY A 41 0.409 0.846 1.230 1.00 34.42 H new ATOM 0 HA2 GLY A 41 -1.675 1.252 -0.822 1.00 21.55 H new ATOM 0 HA3 GLY A 41 0.017 0.882 -1.088 1.00 21.55 H new ATOM 665 N PHE A 42 -2.242 -1.138 -1.273 1.00 12.33 N ATOM 666 CA PHE A 42 -2.685 -2.527 -1.421 1.00 32.41 C ATOM 667 C PHE A 42 -2.025 -3.196 -2.636 1.00 22.14 C ATOM 668 O PHE A 42 -1.836 -2.575 -3.683 1.00 70.02 O ATOM 669 CB PHE A 42 -4.214 -2.587 -1.512 1.00 54.43 C ATOM 670 CG PHE A 42 -4.886 -2.138 -0.238 1.00 63.14 C ATOM 671 CD1 PHE A 42 -5.194 -0.799 -0.031 1.00 25.42 C ATOM 672 CD2 PHE A 42 -5.190 -3.051 0.760 1.00 11.02 C ATOM 673 CE1 PHE A 42 -5.793 -0.385 1.144 1.00 65.34 C ATOM 674 CE2 PHE A 42 -5.787 -2.642 1.938 1.00 1.35 C ATOM 675 CZ PHE A 42 -6.090 -1.307 2.130 1.00 73.22 C ATOM 0 H PHE A 42 -2.816 -0.458 -1.772 1.00 12.33 H new ATOM 0 HA PHE A 42 -2.372 -3.084 -0.538 1.00 32.41 H new ATOM 0 HB2 PHE A 42 -4.551 -1.960 -2.337 1.00 54.43 H new ATOM 0 HB3 PHE A 42 -4.521 -3.607 -1.741 1.00 54.43 H new ATOM 0 HD1 PHE A 42 -4.963 -0.073 -0.797 1.00 25.42 H new ATOM 0 HD2 PHE A 42 -4.957 -4.096 0.615 1.00 11.02 H new ATOM 0 HE1 PHE A 42 -6.029 0.659 1.292 1.00 65.34 H new ATOM 0 HE2 PHE A 42 -6.016 -3.365 2.707 1.00 1.35 H new ATOM 0 HZ PHE A 42 -6.558 -0.985 3.049 1.00 73.22 H new ATOM 685 N ASP A 43 -1.693 -4.476 -2.483 1.00 64.21 N ATOM 686 CA ASP A 43 -0.804 -5.169 -3.416 1.00 51.03 C ATOM 687 C ASP A 43 -1.409 -6.490 -3.942 1.00 42.10 C ATOM 688 O ASP A 43 -1.920 -7.310 -3.171 1.00 51.20 O ATOM 689 CB ASP A 43 0.523 -5.426 -2.691 1.00 64.11 C ATOM 690 CG ASP A 43 1.557 -6.152 -3.527 1.00 12.32 C ATOM 691 OD1 ASP A 43 1.652 -5.883 -4.738 1.00 24.33 O ATOM 692 OD2 ASP A 43 2.306 -6.973 -2.955 1.00 24.44 O ATOM 0 H ASP A 43 -2.029 -5.059 -1.716 1.00 64.21 H new ATOM 0 HA ASP A 43 -0.651 -4.543 -4.295 1.00 51.03 H new ATOM 0 HB2 ASP A 43 0.938 -4.471 -2.368 1.00 64.11 H new ATOM 0 HB3 ASP A 43 0.326 -6.009 -1.791 1.00 64.11 H new ATOM 697 N LYS A 44 -1.340 -6.665 -5.267 1.00 32.52 N ATOM 698 CA LYS A 44 -1.774 -7.892 -5.961 1.00 13.42 C ATOM 699 C LYS A 44 -3.166 -8.402 -5.522 1.00 11.42 C ATOM 700 O LYS A 44 -4.193 -7.962 -6.042 1.00 31.24 O ATOM 701 CB LYS A 44 -0.720 -9.001 -5.796 1.00 23.12 C ATOM 702 CG LYS A 44 0.665 -8.609 -6.300 1.00 52.24 C ATOM 703 CD LYS A 44 1.687 -9.720 -6.073 1.00 70.20 C ATOM 704 CE LYS A 44 3.089 -9.286 -6.480 1.00 53.11 C ATOM 705 NZ LYS A 44 3.158 -8.899 -7.917 1.00 15.44 N ATOM 0 H LYS A 44 -0.977 -5.951 -5.899 1.00 32.52 H new ATOM 0 HA LYS A 44 -1.870 -7.625 -7.013 1.00 13.42 H new ATOM 0 HB2 LYS A 44 -0.651 -9.271 -4.742 1.00 23.12 H new ATOM 0 HB3 LYS A 44 -1.054 -9.890 -6.331 1.00 23.12 H new ATOM 0 HG2 LYS A 44 0.612 -8.376 -7.363 1.00 52.24 H new ATOM 0 HG3 LYS A 44 0.994 -7.703 -5.791 1.00 52.24 H new ATOM 0 HD2 LYS A 44 1.686 -10.007 -5.021 1.00 70.20 H new ATOM 0 HD3 LYS A 44 1.399 -10.602 -6.644 1.00 70.20 H new ATOM 0 HE2 LYS A 44 3.402 -8.444 -5.862 1.00 53.11 H new ATOM 0 HE3 LYS A 44 3.790 -10.099 -6.289 1.00 53.11 H new ATOM 0 HZ1 LYS A 44 3.819 -8.104 -8.031 1.00 15.44 H new ATOM 0 HZ2 LYS A 44 3.490 -9.709 -8.479 1.00 15.44 H new ATOM 0 HZ3 LYS A 44 2.213 -8.614 -8.245 1.00 15.44 H new ATOM 719 N ASP A 45 -3.189 -9.330 -4.564 1.00 25.22 N ATOM 720 CA ASP A 45 -4.426 -10.012 -4.161 1.00 35.30 C ATOM 721 C ASP A 45 -4.914 -9.571 -2.767 1.00 3.34 C ATOM 722 O ASP A 45 -5.701 -10.269 -2.118 1.00 34.44 O ATOM 723 CB ASP A 45 -4.198 -11.529 -4.196 1.00 5.42 C ATOM 724 CG ASP A 45 -3.072 -11.969 -3.273 1.00 24.52 C ATOM 725 OD1 ASP A 45 -1.903 -11.625 -3.547 1.00 54.43 O ATOM 726 OD2 ASP A 45 -3.353 -12.654 -2.265 1.00 31.14 O ATOM 0 H ASP A 45 -2.361 -9.630 -4.049 1.00 25.22 H new ATOM 0 HA ASP A 45 -5.209 -9.735 -4.867 1.00 35.30 H new ATOM 0 HB2 ASP A 45 -5.118 -12.038 -3.910 1.00 5.42 H new ATOM 0 HB3 ASP A 45 -3.968 -11.835 -5.216 1.00 5.42 H new ATOM 731 N GLY A 46 -4.458 -8.409 -2.310 1.00 71.43 N ATOM 732 CA GLY A 46 -4.901 -7.880 -1.021 1.00 34.43 C ATOM 733 C GLY A 46 -3.774 -7.697 -0.009 1.00 61.33 C ATOM 734 O GLY A 46 -4.030 -7.454 1.174 1.00 25.43 O ATOM 0 H GLY A 46 -3.789 -7.820 -2.805 1.00 71.43 H new ATOM 0 HA2 GLY A 46 -5.391 -6.920 -1.182 1.00 34.43 H new ATOM 0 HA3 GLY A 46 -5.648 -8.553 -0.600 1.00 34.43 H new ATOM 738 N LYS A 47 -2.527 -7.811 -0.468 1.00 41.30 N ATOM 739 CA LYS A 47 -1.361 -7.593 0.398 1.00 44.45 C ATOM 740 C LYS A 47 -1.247 -6.105 0.769 1.00 3.13 C ATOM 741 O LYS A 47 -1.824 -5.249 0.099 1.00 52.23 O ATOM 742 CB LYS A 47 -0.077 -8.058 -0.309 1.00 51.32 C ATOM 743 CG LYS A 47 -0.147 -9.478 -0.870 1.00 3.31 C ATOM 744 CD LYS A 47 -0.354 -10.528 0.222 1.00 15.15 C ATOM 745 CE LYS A 47 0.793 -10.541 1.227 1.00 43.45 C ATOM 746 NZ LYS A 47 0.632 -11.611 2.245 1.00 72.45 N ATOM 0 H LYS A 47 -2.296 -8.052 -1.432 1.00 41.30 H new ATOM 0 HA LYS A 47 -1.491 -8.176 1.310 1.00 44.45 H new ATOM 0 HB2 LYS A 47 0.145 -7.369 -1.124 1.00 51.32 H new ATOM 0 HB3 LYS A 47 0.753 -7.998 0.395 1.00 51.32 H new ATOM 0 HG2 LYS A 47 -0.963 -9.541 -1.590 1.00 3.31 H new ATOM 0 HG3 LYS A 47 0.773 -9.697 -1.411 1.00 3.31 H new ATOM 0 HD2 LYS A 47 -1.290 -10.329 0.743 1.00 15.15 H new ATOM 0 HD3 LYS A 47 -0.447 -11.513 -0.235 1.00 15.15 H new ATOM 0 HE2 LYS A 47 1.736 -10.683 0.699 1.00 43.45 H new ATOM 0 HE3 LYS A 47 0.849 -9.573 1.725 1.00 43.45 H new ATOM 0 HZ1 LYS A 47 1.433 -11.583 2.907 1.00 72.45 H new ATOM 0 HZ2 LYS A 47 -0.255 -11.462 2.768 1.00 72.45 H new ATOM 0 HZ3 LYS A 47 0.605 -12.538 1.773 1.00 72.45 H new ATOM 760 N GLU A 48 -0.510 -5.786 1.828 1.00 12.42 N ATOM 761 CA GLU A 48 -0.403 -4.395 2.285 1.00 63.25 C ATOM 762 C GLU A 48 1.053 -3.977 2.563 1.00 53.03 C ATOM 763 O GLU A 48 1.765 -4.613 3.343 1.00 61.11 O ATOM 764 CB GLU A 48 -1.277 -4.188 3.535 1.00 4.15 C ATOM 765 CG GLU A 48 -0.919 -5.100 4.702 1.00 44.24 C ATOM 766 CD GLU A 48 -1.913 -5.005 5.850 1.00 51.45 C ATOM 767 OE1 GLU A 48 -1.802 -4.071 6.670 1.00 64.43 O ATOM 768 OE2 GLU A 48 -2.811 -5.872 5.937 1.00 12.23 O ATOM 0 H GLU A 48 0.018 -6.459 2.384 1.00 12.42 H new ATOM 0 HA GLU A 48 -0.763 -3.755 1.480 1.00 63.25 H new ATOM 0 HB2 GLU A 48 -1.190 -3.151 3.858 1.00 4.15 H new ATOM 0 HB3 GLU A 48 -2.321 -4.352 3.267 1.00 4.15 H new ATOM 0 HG2 GLU A 48 -0.874 -6.131 4.351 1.00 44.24 H new ATOM 0 HG3 GLU A 48 0.076 -4.843 5.066 1.00 44.24 H new ATOM 775 N LYS A 49 1.492 -2.915 1.891 1.00 23.35 N ATOM 776 CA LYS A 49 2.799 -2.292 2.152 1.00 65.41 C ATOM 777 C LYS A 49 2.620 -0.801 2.479 1.00 23.23 C ATOM 778 O LYS A 49 1.734 -0.144 1.934 1.00 63.31 O ATOM 779 CB LYS A 49 3.743 -2.430 0.938 1.00 3.31 C ATOM 780 CG LYS A 49 4.454 -3.781 0.798 1.00 3.10 C ATOM 781 CD LYS A 49 3.529 -4.902 0.324 1.00 61.11 C ATOM 782 CE LYS A 49 4.320 -6.154 -0.055 1.00 14.32 C ATOM 783 NZ LYS A 49 3.442 -7.269 -0.503 1.00 74.24 N ATOM 0 H LYS A 49 0.958 -2.459 1.151 1.00 23.35 H new ATOM 0 HA LYS A 49 3.244 -2.809 3.002 1.00 65.41 H new ATOM 0 HB2 LYS A 49 3.167 -2.248 0.031 1.00 3.31 H new ATOM 0 HB3 LYS A 49 4.499 -1.647 0.998 1.00 3.31 H new ATOM 0 HG2 LYS A 49 5.280 -3.678 0.094 1.00 3.10 H new ATOM 0 HG3 LYS A 49 4.887 -4.058 1.759 1.00 3.10 H new ATOM 0 HD2 LYS A 49 2.816 -5.145 1.112 1.00 61.11 H new ATOM 0 HD3 LYS A 49 2.951 -4.561 -0.535 1.00 61.11 H new ATOM 0 HE2 LYS A 49 5.024 -5.908 -0.850 1.00 14.32 H new ATOM 0 HE3 LYS A 49 4.909 -6.481 0.802 1.00 14.32 H new ATOM 0 HZ1 LYS A 49 4.029 -8.064 -0.828 1.00 74.24 H new ATOM 0 HZ2 LYS A 49 2.845 -7.581 0.290 1.00 74.24 H new ATOM 0 HZ3 LYS A 49 2.838 -6.943 -1.284 1.00 74.24 H new ATOM 797 N GLU A 50 3.461 -0.263 3.357 1.00 34.52 N ATOM 798 CA GLU A 50 3.395 1.160 3.701 1.00 63.43 C ATOM 799 C GLU A 50 4.164 2.016 2.678 1.00 54.11 C ATOM 800 O GLU A 50 5.366 1.824 2.465 1.00 11.22 O ATOM 801 CB GLU A 50 3.946 1.410 5.115 1.00 55.54 C ATOM 802 CG GLU A 50 3.117 0.782 6.239 1.00 54.53 C ATOM 803 CD GLU A 50 3.200 -0.740 6.281 1.00 3.20 C ATOM 804 OE1 GLU A 50 4.216 -1.269 6.782 1.00 4.03 O ATOM 805 OE2 GLU A 50 2.250 -1.411 5.822 1.00 2.35 O ATOM 0 H GLU A 50 4.192 -0.783 3.842 1.00 34.52 H new ATOM 0 HA GLU A 50 2.346 1.454 3.678 1.00 63.43 H new ATOM 0 HB2 GLU A 50 4.963 1.021 5.169 1.00 55.54 H new ATOM 0 HB3 GLU A 50 4.007 2.485 5.283 1.00 55.54 H new ATOM 0 HG2 GLU A 50 3.454 1.182 7.195 1.00 54.53 H new ATOM 0 HG3 GLU A 50 2.075 1.078 6.119 1.00 54.53 H new ATOM 812 N LEU A 51 3.457 2.945 2.036 1.00 12.11 N ATOM 813 CA LEU A 51 4.065 3.871 1.075 1.00 14.01 C ATOM 814 C LEU A 51 4.034 5.311 1.608 1.00 25.34 C ATOM 815 O LEU A 51 2.967 5.854 1.900 1.00 40.55 O ATOM 816 CB LEU A 51 3.346 3.814 -0.288 1.00 64.21 C ATOM 817 CG LEU A 51 3.598 2.557 -1.146 1.00 20.11 C ATOM 818 CD1 LEU A 51 5.094 2.319 -1.340 1.00 43.14 C ATOM 819 CD2 LEU A 51 2.919 1.327 -0.549 1.00 62.30 C ATOM 0 H LEU A 51 2.454 3.079 2.164 1.00 12.11 H new ATOM 0 HA LEU A 51 5.101 3.561 0.939 1.00 14.01 H new ATOM 0 HB2 LEU A 51 2.274 3.898 -0.112 1.00 64.21 H new ATOM 0 HB3 LEU A 51 3.643 4.688 -0.868 1.00 64.21 H new ATOM 0 HG LEU A 51 3.154 2.732 -2.126 1.00 20.11 H new ATOM 0 HD11 LEU A 51 5.245 1.427 -1.948 1.00 43.14 H new ATOM 0 HD12 LEU A 51 5.537 3.179 -1.842 1.00 43.14 H new ATOM 0 HD13 LEU A 51 5.569 2.181 -0.369 1.00 43.14 H new ATOM 0 HD21 LEU A 51 3.117 0.460 -1.179 1.00 62.30 H new ATOM 0 HD22 LEU A 51 3.310 1.145 0.452 1.00 62.30 H new ATOM 0 HD23 LEU A 51 1.844 1.496 -0.493 1.00 62.30 H new ATOM 831 N GLU A 52 5.208 5.921 1.738 1.00 44.44 N ATOM 832 CA GLU A 52 5.319 7.316 2.181 1.00 54.15 C ATOM 833 C GLU A 52 6.157 8.139 1.188 1.00 4.53 C ATOM 834 O GLU A 52 7.332 7.853 0.963 1.00 45.52 O ATOM 835 CB GLU A 52 5.933 7.386 3.594 1.00 42.41 C ATOM 836 CG GLU A 52 7.326 6.763 3.715 1.00 60.20 C ATOM 837 CD GLU A 52 7.878 6.834 5.130 1.00 4.12 C ATOM 838 OE1 GLU A 52 8.313 7.928 5.551 1.00 74.14 O ATOM 839 OE2 GLU A 52 7.876 5.801 5.832 1.00 24.34 O ATOM 0 H GLU A 52 6.103 5.472 1.543 1.00 44.44 H new ATOM 0 HA GLU A 52 4.317 7.743 2.217 1.00 54.15 H new ATOM 0 HB2 GLU A 52 5.989 8.431 3.900 1.00 42.41 H new ATOM 0 HB3 GLU A 52 5.263 6.884 4.292 1.00 42.41 H new ATOM 0 HG2 GLU A 52 7.283 5.721 3.398 1.00 60.20 H new ATOM 0 HG3 GLU A 52 8.009 7.275 3.037 1.00 60.20 H new ATOM 846 N PHE A 53 5.544 9.153 0.580 1.00 1.14 N ATOM 847 CA PHE A 53 6.246 10.005 -0.390 1.00 64.13 C ATOM 848 C PHE A 53 6.110 11.493 -0.036 1.00 24.25 C ATOM 849 O PHE A 53 5.029 11.965 0.311 1.00 12.05 O ATOM 850 CB PHE A 53 5.733 9.741 -1.817 1.00 21.13 C ATOM 851 CG PHE A 53 4.252 9.976 -2.014 1.00 3.10 C ATOM 852 CD1 PHE A 53 3.327 8.991 -1.689 1.00 14.12 C ATOM 853 CD2 PHE A 53 3.787 11.176 -2.539 1.00 4.25 C ATOM 854 CE1 PHE A 53 1.975 9.198 -1.883 1.00 15.50 C ATOM 855 CE2 PHE A 53 2.435 11.387 -2.732 1.00 61.45 C ATOM 856 CZ PHE A 53 1.528 10.397 -2.405 1.00 44.44 C ATOM 0 H PHE A 53 4.569 9.407 0.738 1.00 1.14 H new ATOM 0 HA PHE A 53 7.305 9.749 -0.347 1.00 64.13 H new ATOM 0 HB2 PHE A 53 6.283 10.379 -2.509 1.00 21.13 H new ATOM 0 HB3 PHE A 53 5.961 8.709 -2.085 1.00 21.13 H new ATOM 0 HD1 PHE A 53 3.669 8.052 -1.280 1.00 14.12 H new ATOM 0 HD2 PHE A 53 4.491 11.953 -2.799 1.00 4.25 H new ATOM 0 HE1 PHE A 53 1.268 8.423 -1.627 1.00 15.50 H new ATOM 0 HE2 PHE A 53 2.087 12.325 -3.138 1.00 61.45 H new ATOM 0 HZ PHE A 53 0.471 10.560 -2.557 1.00 44.44 H new ATOM 866 N THR A 54 7.219 12.227 -0.116 1.00 15.22 N ATOM 867 CA THR A 54 7.219 13.663 0.183 1.00 61.21 C ATOM 868 C THR A 54 7.049 14.499 -1.097 1.00 2.13 C ATOM 869 O THR A 54 7.944 14.557 -1.944 1.00 75.42 O ATOM 870 CB THR A 54 8.521 14.096 0.908 1.00 64.03 C ATOM 871 OG1 THR A 54 9.666 13.872 0.070 1.00 22.55 O ATOM 872 CG2 THR A 54 8.699 13.337 2.219 1.00 23.31 C ATOM 0 H THR A 54 8.129 11.854 -0.385 1.00 15.22 H new ATOM 0 HA THR A 54 6.372 13.845 0.844 1.00 61.21 H new ATOM 0 HB THR A 54 8.436 15.161 1.126 1.00 64.03 H new ATOM 0 HG1 THR A 54 9.433 14.067 -0.862 1.00 22.55 H new ATOM 0 HG21 THR A 54 9.619 13.661 2.705 1.00 23.31 H new ATOM 0 HG22 THR A 54 7.852 13.539 2.874 1.00 23.31 H new ATOM 0 HG23 THR A 54 8.753 12.267 2.016 1.00 23.31 H new ATOM 880 N ALA A 55 5.886 15.130 -1.238 1.00 44.42 N ATOM 881 CA ALA A 55 5.581 15.962 -2.411 1.00 51.24 C ATOM 882 C ALA A 55 5.819 17.451 -2.118 1.00 34.23 C ATOM 883 O ALA A 55 5.517 17.934 -1.032 1.00 15.13 O ATOM 884 CB ALA A 55 4.137 15.731 -2.852 1.00 60.32 C ATOM 0 H ALA A 55 5.132 15.084 -0.553 1.00 44.42 H new ATOM 0 HA ALA A 55 6.253 15.671 -3.218 1.00 51.24 H new ATOM 0 HB1 ALA A 55 3.919 16.351 -3.722 1.00 60.32 H new ATOM 0 HB2 ALA A 55 3.999 14.681 -3.111 1.00 60.32 H new ATOM 0 HB3 ALA A 55 3.461 15.996 -2.039 1.00 60.32 H new ATOM 890 N GLN A 56 6.344 18.180 -3.101 1.00 32.25 N ATOM 891 CA GLN A 56 6.668 19.608 -2.926 1.00 61.32 C ATOM 892 C GLN A 56 5.404 20.483 -2.806 1.00 11.21 C ATOM 893 O GLN A 56 5.496 21.693 -2.577 1.00 3.02 O ATOM 894 CB GLN A 56 7.529 20.101 -4.101 1.00 53.32 C ATOM 895 CG GLN A 56 8.840 19.338 -4.271 1.00 30.25 C ATOM 896 CD GLN A 56 9.674 19.847 -5.437 1.00 21.11 C ATOM 897 OE1 GLN A 56 9.144 20.332 -6.432 1.00 43.11 O ATOM 898 NE2 GLN A 56 10.982 19.729 -5.331 1.00 43.15 N ATOM 0 H GLN A 56 6.557 17.813 -4.028 1.00 32.25 H new ATOM 0 HA GLN A 56 7.224 19.701 -1.993 1.00 61.32 H new ATOM 0 HB2 GLN A 56 6.951 20.020 -5.021 1.00 53.32 H new ATOM 0 HB3 GLN A 56 7.752 21.158 -3.957 1.00 53.32 H new ATOM 0 HG2 GLN A 56 9.422 19.417 -3.353 1.00 30.25 H new ATOM 0 HG3 GLN A 56 8.622 18.281 -4.421 1.00 30.25 H new ATOM 0 HE21 GLN A 56 11.391 19.321 -4.490 1.00 43.15 H new ATOM 0 HE22 GLN A 56 11.586 20.045 -6.090 1.00 43.15 H new ATOM 907 N LYS A 57 4.231 19.868 -2.955 1.00 31.54 N ATOM 908 CA LYS A 57 2.955 20.590 -2.914 1.00 60.41 C ATOM 909 C LYS A 57 1.789 19.633 -2.622 1.00 64.31 C ATOM 910 O LYS A 57 1.973 18.416 -2.561 1.00 24.31 O ATOM 911 CB LYS A 57 2.720 21.306 -4.249 1.00 1.25 C ATOM 912 CG LYS A 57 2.723 20.366 -5.454 1.00 52.02 C ATOM 913 CD LYS A 57 2.500 21.115 -6.765 1.00 72.53 C ATOM 914 CE LYS A 57 1.142 21.807 -6.810 1.00 71.01 C ATOM 915 NZ LYS A 57 0.918 22.493 -8.108 1.00 71.32 N ATOM 0 H LYS A 57 4.136 18.864 -3.106 1.00 31.54 H new ATOM 0 HA LYS A 57 3.003 21.325 -2.110 1.00 60.41 H new ATOM 0 HB2 LYS A 57 1.764 21.829 -4.208 1.00 1.25 H new ATOM 0 HB3 LYS A 57 3.492 22.063 -4.387 1.00 1.25 H new ATOM 0 HG2 LYS A 57 3.674 19.835 -5.497 1.00 52.02 H new ATOM 0 HG3 LYS A 57 1.944 19.614 -5.329 1.00 52.02 H new ATOM 0 HD2 LYS A 57 3.288 21.856 -6.896 1.00 72.53 H new ATOM 0 HD3 LYS A 57 2.578 20.416 -7.598 1.00 72.53 H new ATOM 0 HE2 LYS A 57 0.354 21.072 -6.646 1.00 71.01 H new ATOM 0 HE3 LYS A 57 1.076 22.532 -5.999 1.00 71.01 H new ATOM 0 HZ1 LYS A 57 -0.015 22.952 -8.102 1.00 71.32 H new ATOM 0 HZ2 LYS A 57 1.656 23.211 -8.253 1.00 71.32 H new ATOM 0 HZ3 LYS A 57 0.956 21.797 -8.880 1.00 71.32 H new ATOM 929 N ASN A 58 0.591 20.187 -2.452 1.00 70.13 N ATOM 930 CA ASN A 58 -0.608 19.386 -2.190 1.00 52.11 C ATOM 931 C ASN A 58 -1.232 18.886 -3.509 1.00 63.40 C ATOM 932 O ASN A 58 -1.433 19.664 -4.448 1.00 73.44 O ATOM 933 CB ASN A 58 -1.636 20.213 -1.405 1.00 55.12 C ATOM 934 CG ASN A 58 -2.740 19.359 -0.803 1.00 33.32 C ATOM 935 OD1 ASN A 58 -3.724 19.037 -1.457 1.00 62.31 O ATOM 936 ND2 ASN A 58 -2.593 19.002 0.456 1.00 54.22 N ATOM 0 H ASN A 58 0.422 21.192 -2.491 1.00 70.13 H new ATOM 0 HA ASN A 58 -0.317 18.520 -1.595 1.00 52.11 H new ATOM 0 HB2 ASN A 58 -1.127 20.756 -0.609 1.00 55.12 H new ATOM 0 HB3 ASN A 58 -2.078 20.958 -2.067 1.00 55.12 H new ATOM 0 HD21 ASN A 58 -3.311 18.441 0.914 1.00 54.22 H new ATOM 0 HD22 ASN A 58 -1.761 19.287 0.973 1.00 54.22 H new ATOM 943 N LEU A 59 -1.543 17.593 -3.577 1.00 41.53 N ATOM 944 CA LEU A 59 -2.137 16.997 -4.788 1.00 4.43 C ATOM 945 C LEU A 59 -3.636 16.692 -4.608 1.00 72.53 C ATOM 946 O LEU A 59 -4.227 17.006 -3.573 1.00 52.35 O ATOM 947 CB LEU A 59 -1.347 15.735 -5.192 1.00 43.20 C ATOM 948 CG LEU A 59 -1.009 14.747 -4.055 1.00 43.54 C ATOM 949 CD1 LEU A 59 -2.254 14.030 -3.539 1.00 31.13 C ATOM 950 CD2 LEU A 59 0.041 13.739 -4.519 1.00 33.20 C ATOM 0 H LEU A 59 -1.397 16.933 -2.813 1.00 41.53 H new ATOM 0 HA LEU A 59 -2.067 17.727 -5.595 1.00 4.43 H new ATOM 0 HB2 LEU A 59 -1.920 15.201 -5.950 1.00 43.20 H new ATOM 0 HB3 LEU A 59 -0.414 16.050 -5.660 1.00 43.20 H new ATOM 0 HG LEU A 59 -0.599 15.325 -3.226 1.00 43.54 H new ATOM 0 HD11 LEU A 59 -1.974 13.344 -2.740 1.00 31.13 H new ATOM 0 HD12 LEU A 59 -2.963 14.763 -3.155 1.00 31.13 H new ATOM 0 HD13 LEU A 59 -2.715 13.470 -4.353 1.00 31.13 H new ATOM 0 HD21 LEU A 59 0.268 13.050 -3.706 1.00 33.20 H new ATOM 0 HD22 LEU A 59 -0.343 13.180 -5.372 1.00 33.20 H new ATOM 0 HD23 LEU A 59 0.949 14.267 -4.811 1.00 33.20 H new ATOM 962 N ARG A 60 -4.252 16.077 -5.624 1.00 2.51 N ATOM 963 CA ARG A 60 -5.694 15.779 -5.593 1.00 70.21 C ATOM 964 C ARG A 60 -6.050 14.777 -4.482 1.00 4.13 C ATOM 965 O ARG A 60 -5.674 13.607 -4.533 1.00 74.40 O ATOM 966 CB ARG A 60 -6.181 15.251 -6.957 1.00 1.12 C ATOM 967 CG ARG A 60 -6.390 16.337 -8.015 1.00 25.21 C ATOM 968 CD ARG A 60 -5.095 17.055 -8.376 1.00 54.20 C ATOM 969 NE ARG A 60 -5.302 18.095 -9.383 1.00 14.44 N ATOM 970 CZ ARG A 60 -4.803 18.060 -10.588 1.00 1.42 C ATOM 971 NH1 ARG A 60 -4.147 17.023 -10.999 1.00 62.45 N ATOM 972 NH2 ARG A 60 -4.988 19.052 -11.398 1.00 40.23 N ATOM 0 H ARG A 60 -3.779 15.776 -6.476 1.00 2.51 H new ATOM 0 HA ARG A 60 -6.205 16.717 -5.376 1.00 70.21 H new ATOM 0 HB2 ARG A 60 -5.457 14.528 -7.333 1.00 1.12 H new ATOM 0 HB3 ARG A 60 -7.120 14.716 -6.812 1.00 1.12 H new ATOM 0 HG2 ARG A 60 -6.816 15.888 -8.913 1.00 25.21 H new ATOM 0 HG3 ARG A 60 -7.115 17.064 -7.647 1.00 25.21 H new ATOM 0 HD2 ARG A 60 -4.666 17.501 -7.478 1.00 54.20 H new ATOM 0 HD3 ARG A 60 -4.371 16.330 -8.748 1.00 54.20 H new ATOM 0 HE ARG A 60 -5.874 18.900 -9.127 1.00 14.44 H new ATOM 0 HH11 ARG A 60 -4.016 16.224 -10.379 1.00 62.45 H new ATOM 0 HH12 ARG A 60 -3.761 17.005 -11.943 1.00 62.45 H new ATOM 0 HH21 ARG A 60 -5.525 19.864 -11.095 1.00 40.23 H new ATOM 0 HH22 ARG A 60 -4.597 19.022 -12.339 1.00 40.23 H new ATOM 986 N LYS A 61 -6.787 15.252 -3.481 1.00 53.34 N ATOM 987 CA LYS A 61 -7.192 14.416 -2.349 1.00 34.20 C ATOM 988 C LYS A 61 -8.485 13.642 -2.655 1.00 1.51 C ATOM 989 O LYS A 61 -9.280 14.055 -3.503 1.00 2.22 O ATOM 990 CB LYS A 61 -7.345 15.292 -1.100 1.00 44.22 C ATOM 991 CG LYS A 61 -6.032 15.956 -0.690 1.00 14.31 C ATOM 992 CD LYS A 61 -6.176 16.827 0.552 1.00 1.21 C ATOM 993 CE LYS A 61 -6.996 18.087 0.297 1.00 71.00 C ATOM 994 NZ LYS A 61 -6.973 18.997 1.475 1.00 51.31 N ATOM 0 H LYS A 61 -7.118 16.215 -3.429 1.00 53.34 H new ATOM 0 HA LYS A 61 -6.418 13.671 -2.165 1.00 34.20 H new ATOM 0 HB2 LYS A 61 -8.094 16.061 -1.288 1.00 44.22 H new ATOM 0 HB3 LYS A 61 -7.714 14.683 -0.275 1.00 44.22 H new ATOM 0 HG2 LYS A 61 -5.283 15.186 -0.504 1.00 14.31 H new ATOM 0 HG3 LYS A 61 -5.665 16.566 -1.516 1.00 14.31 H new ATOM 0 HD2 LYS A 61 -6.647 16.246 1.345 1.00 1.21 H new ATOM 0 HD3 LYS A 61 -5.186 17.109 0.909 1.00 1.21 H new ATOM 0 HE2 LYS A 61 -6.603 18.609 -0.576 1.00 71.00 H new ATOM 0 HE3 LYS A 61 -8.026 17.813 0.067 1.00 71.00 H new ATOM 0 HZ1 LYS A 61 -6.997 19.985 1.151 1.00 51.31 H new ATOM 0 HZ2 LYS A 61 -7.802 18.809 2.075 1.00 51.31 H new ATOM 0 HZ3 LYS A 61 -6.105 18.833 2.023 1.00 51.31 H new ATOM 1008 N GLU A 62 -8.677 12.514 -1.959 1.00 74.13 N ATOM 1009 CA GLU A 62 -9.772 11.567 -2.250 1.00 55.43 C ATOM 1010 C GLU A 62 -9.581 10.883 -3.617 1.00 52.44 C ATOM 1011 O GLU A 62 -10.483 10.210 -4.119 1.00 34.41 O ATOM 1012 CB GLU A 62 -11.150 12.254 -2.202 1.00 55.35 C ATOM 1013 CG GLU A 62 -11.537 12.814 -0.836 1.00 75.42 C ATOM 1014 CD GLU A 62 -12.941 13.404 -0.835 1.00 73.23 C ATOM 1015 OE1 GLU A 62 -13.088 14.601 -1.162 1.00 30.03 O ATOM 1016 OE2 GLU A 62 -13.903 12.667 -0.541 1.00 62.34 O ATOM 0 H GLU A 62 -8.083 12.229 -1.181 1.00 74.13 H new ATOM 0 HA GLU A 62 -9.738 10.806 -1.470 1.00 55.43 H new ATOM 0 HB2 GLU A 62 -11.161 13.066 -2.929 1.00 55.35 H new ATOM 0 HB3 GLU A 62 -11.909 11.537 -2.514 1.00 55.35 H new ATOM 0 HG2 GLU A 62 -11.477 12.022 -0.090 1.00 75.42 H new ATOM 0 HG3 GLU A 62 -10.821 13.582 -0.544 1.00 75.42 H new ATOM 1023 N ALA A 63 -8.398 11.053 -4.208 1.00 32.54 N ATOM 1024 CA ALA A 63 -8.070 10.435 -5.498 1.00 50.12 C ATOM 1025 C ALA A 63 -7.158 9.214 -5.312 1.00 34.31 C ATOM 1026 O ALA A 63 -6.763 8.885 -4.188 1.00 51.21 O ATOM 1027 CB ALA A 63 -7.413 11.458 -6.419 1.00 11.24 C ATOM 0 H ALA A 63 -7.645 11.617 -3.813 1.00 32.54 H new ATOM 0 HA ALA A 63 -8.997 10.092 -5.957 1.00 50.12 H new ATOM 0 HB1 ALA A 63 -7.174 10.988 -7.373 1.00 11.24 H new ATOM 0 HB2 ALA A 63 -8.097 12.290 -6.586 1.00 11.24 H new ATOM 0 HB3 ALA A 63 -6.497 11.828 -5.957 1.00 11.24 H new ATOM 1033 N PHE A 64 -6.821 8.548 -6.419 1.00 74.33 N ATOM 1034 CA PHE A 64 -5.996 7.336 -6.372 1.00 11.43 C ATOM 1035 C PHE A 64 -4.651 7.537 -7.089 1.00 61.02 C ATOM 1036 O PHE A 64 -4.566 8.215 -8.115 1.00 52.12 O ATOM 1037 CB PHE A 64 -6.758 6.155 -6.994 1.00 44.51 C ATOM 1038 CG PHE A 64 -8.123 5.931 -6.388 1.00 25.44 C ATOM 1039 CD1 PHE A 64 -8.257 5.325 -5.146 1.00 40.13 C ATOM 1040 CD2 PHE A 64 -9.272 6.332 -7.059 1.00 0.13 C ATOM 1041 CE1 PHE A 64 -9.506 5.123 -4.588 1.00 21.44 C ATOM 1042 CE2 PHE A 64 -10.522 6.131 -6.505 1.00 50.24 C ATOM 1043 CZ PHE A 64 -10.639 5.527 -5.268 1.00 25.34 C ATOM 0 H PHE A 64 -7.106 8.826 -7.358 1.00 74.33 H new ATOM 0 HA PHE A 64 -5.784 7.117 -5.325 1.00 11.43 H new ATOM 0 HB2 PHE A 64 -6.869 6.328 -8.064 1.00 44.51 H new ATOM 0 HB3 PHE A 64 -6.164 5.248 -6.877 1.00 44.51 H new ATOM 0 HD1 PHE A 64 -7.375 5.008 -4.609 1.00 40.13 H new ATOM 0 HD2 PHE A 64 -9.187 6.807 -8.025 1.00 0.13 H new ATOM 0 HE1 PHE A 64 -9.596 4.650 -3.621 1.00 21.44 H new ATOM 0 HE2 PHE A 64 -11.407 6.446 -7.039 1.00 50.24 H new ATOM 0 HZ PHE A 64 -11.615 5.371 -4.833 1.00 25.34 H new ATOM 1053 N LEU A 65 -3.598 6.947 -6.536 1.00 71.52 N ATOM 1054 CA LEU A 65 -2.257 7.030 -7.123 1.00 21.42 C ATOM 1055 C LEU A 65 -1.663 5.635 -7.357 1.00 52.32 C ATOM 1056 O LEU A 65 -1.685 4.787 -6.464 1.00 44.14 O ATOM 1057 CB LEU A 65 -1.319 7.832 -6.201 1.00 4.41 C ATOM 1058 CG LEU A 65 -1.507 9.356 -6.207 1.00 15.34 C ATOM 1059 CD1 LEU A 65 -0.733 9.994 -5.060 1.00 51.53 C ATOM 1060 CD2 LEU A 65 -1.046 9.943 -7.535 1.00 64.32 C ATOM 0 H LEU A 65 -3.643 6.401 -5.676 1.00 71.52 H new ATOM 0 HA LEU A 65 -2.350 7.536 -8.084 1.00 21.42 H new ATOM 0 HB2 LEU A 65 -1.453 7.474 -5.180 1.00 4.41 H new ATOM 0 HB3 LEU A 65 -0.290 7.612 -6.484 1.00 4.41 H new ATOM 0 HG LEU A 65 -2.568 9.570 -6.076 1.00 15.34 H new ATOM 0 HD11 LEU A 65 -0.878 11.074 -5.080 1.00 51.53 H new ATOM 0 HD12 LEU A 65 -1.095 9.597 -4.112 1.00 51.53 H new ATOM 0 HD13 LEU A 65 0.328 9.768 -5.167 1.00 51.53 H new ATOM 0 HD21 LEU A 65 -1.186 11.024 -7.523 1.00 64.32 H new ATOM 0 HD22 LEU A 65 0.009 9.715 -7.687 1.00 64.32 H new ATOM 0 HD23 LEU A 65 -1.631 9.510 -8.347 1.00 64.32 H new ATOM 1072 N ARG A 66 -1.150 5.397 -8.566 1.00 53.05 N ATOM 1073 CA ARG A 66 -0.345 4.202 -8.832 1.00 71.04 C ATOM 1074 C ARG A 66 1.104 4.448 -8.394 1.00 70.21 C ATOM 1075 O ARG A 66 1.903 5.012 -9.146 1.00 62.53 O ATOM 1076 CB ARG A 66 -0.382 3.808 -10.321 1.00 32.23 C ATOM 1077 CG ARG A 66 -1.714 3.227 -10.795 1.00 0.40 C ATOM 1078 CD ARG A 66 -1.606 2.671 -12.215 1.00 72.43 C ATOM 1079 NE ARG A 66 -2.853 2.060 -12.676 1.00 21.53 N ATOM 1080 CZ ARG A 66 -2.942 0.885 -13.248 1.00 1.13 C ATOM 1081 NH1 ARG A 66 -1.890 0.156 -13.449 1.00 30.23 N ATOM 1082 NH2 ARG A 66 -4.098 0.452 -13.628 1.00 14.33 N ATOM 0 H ARG A 66 -1.276 6.010 -9.371 1.00 53.05 H new ATOM 0 HA ARG A 66 -0.770 3.377 -8.260 1.00 71.04 H new ATOM 0 HB2 ARG A 66 -0.151 4.688 -10.921 1.00 32.23 H new ATOM 0 HB3 ARG A 66 0.405 3.078 -10.509 1.00 32.23 H new ATOM 0 HG2 ARG A 66 -2.030 2.435 -10.116 1.00 0.40 H new ATOM 0 HG3 ARG A 66 -2.482 4.000 -10.763 1.00 0.40 H new ATOM 0 HD2 ARG A 66 -1.326 3.475 -12.896 1.00 72.43 H new ATOM 0 HD3 ARG A 66 -0.807 1.930 -12.251 1.00 72.43 H new ATOM 0 HE ARG A 66 -3.716 2.587 -12.542 1.00 21.53 H new ATOM 0 HH11 ARG A 66 -0.972 0.494 -13.160 1.00 30.23 H new ATOM 0 HH12 ARG A 66 -1.980 -0.756 -13.896 1.00 30.23 H new ATOM 0 HH21 ARG A 66 -4.930 1.024 -13.482 1.00 14.33 H new ATOM 0 HH22 ARG A 66 -4.179 -0.462 -14.074 1.00 14.33 H new ATOM 1096 N VAL A 67 1.425 4.059 -7.166 1.00 54.14 N ATOM 1097 CA VAL A 67 2.763 4.280 -6.605 1.00 13.31 C ATOM 1098 C VAL A 67 3.694 3.100 -6.865 1.00 43.24 C ATOM 1099 O VAL A 67 3.385 1.951 -6.538 1.00 4.50 O ATOM 1100 CB VAL A 67 2.701 4.563 -5.082 1.00 62.44 C ATOM 1101 CG1 VAL A 67 4.099 4.803 -4.504 1.00 65.41 C ATOM 1102 CG2 VAL A 67 1.782 5.750 -4.793 1.00 60.51 C ATOM 0 H VAL A 67 0.779 3.587 -6.534 1.00 54.14 H new ATOM 0 HA VAL A 67 3.166 5.156 -7.113 1.00 13.31 H new ATOM 0 HB VAL A 67 2.288 3.681 -4.593 1.00 62.44 H new ATOM 0 HG11 VAL A 67 4.022 4.999 -3.434 1.00 65.41 H new ATOM 0 HG12 VAL A 67 4.717 3.920 -4.668 1.00 65.41 H new ATOM 0 HG13 VAL A 67 4.554 5.661 -4.998 1.00 65.41 H new ATOM 0 HG21 VAL A 67 1.751 5.933 -3.719 1.00 60.51 H new ATOM 0 HG22 VAL A 67 2.161 6.636 -5.302 1.00 60.51 H new ATOM 0 HG23 VAL A 67 0.777 5.528 -5.152 1.00 60.51 H new ATOM 1112 N TYR A 68 4.836 3.410 -7.461 1.00 52.14 N ATOM 1113 CA TYR A 68 5.861 2.422 -7.762 1.00 22.21 C ATOM 1114 C TYR A 68 6.542 1.914 -6.479 1.00 2.45 C ATOM 1115 O TYR A 68 7.154 2.691 -5.742 1.00 51.23 O ATOM 1116 CB TYR A 68 6.894 3.056 -8.695 1.00 65.10 C ATOM 1117 CG TYR A 68 7.920 2.082 -9.199 1.00 45.24 C ATOM 1118 CD1 TYR A 68 7.650 1.290 -10.300 1.00 50.32 C ATOM 1119 CD2 TYR A 68 9.150 1.950 -8.571 1.00 54.14 C ATOM 1120 CE1 TYR A 68 8.581 0.386 -10.770 1.00 15.10 C ATOM 1121 CE2 TYR A 68 10.089 1.051 -9.032 1.00 52.11 C ATOM 1122 CZ TYR A 68 9.801 0.272 -10.132 1.00 14.22 C ATOM 1123 OH TYR A 68 10.731 -0.632 -10.591 1.00 21.41 O ATOM 0 H TYR A 68 5.078 4.358 -7.750 1.00 52.14 H new ATOM 0 HA TYR A 68 5.396 1.563 -8.246 1.00 22.21 H new ATOM 0 HB2 TYR A 68 6.379 3.502 -9.546 1.00 65.10 H new ATOM 0 HB3 TYR A 68 7.400 3.865 -8.168 1.00 65.10 H new ATOM 0 HD1 TYR A 68 6.697 1.380 -10.799 1.00 50.32 H new ATOM 0 HD2 TYR A 68 9.376 2.560 -7.709 1.00 54.14 H new ATOM 0 HE1 TYR A 68 8.357 -0.228 -11.630 1.00 15.10 H new ATOM 0 HE2 TYR A 68 11.043 0.958 -8.535 1.00 52.11 H new ATOM 0 HH TYR A 68 11.269 -0.218 -11.297 1.00 21.41 H new ATOM 1133 N HIS A 69 6.442 0.613 -6.216 1.00 24.34 N ATOM 1134 CA HIS A 69 7.019 0.026 -5.001 1.00 40.11 C ATOM 1135 C HIS A 69 8.200 -0.905 -5.314 1.00 12.41 C ATOM 1136 O HIS A 69 8.048 -1.917 -5.995 1.00 34.52 O ATOM 1137 CB HIS A 69 5.941 -0.740 -4.232 1.00 35.21 C ATOM 1138 CG HIS A 69 6.451 -1.478 -3.032 1.00 14.13 C ATOM 1139 ND1 HIS A 69 6.750 -2.821 -3.051 1.00 54.40 N ATOM 1140 CD2 HIS A 69 6.703 -1.058 -1.769 1.00 42.14 C ATOM 1141 CE1 HIS A 69 7.161 -3.197 -1.860 1.00 20.15 C ATOM 1142 NE2 HIS A 69 7.143 -2.147 -1.063 1.00 43.24 N ATOM 0 H HIS A 69 5.969 -0.056 -6.824 1.00 24.34 H new ATOM 0 HA HIS A 69 7.400 0.844 -4.389 1.00 40.11 H new ATOM 0 HB2 HIS A 69 5.170 -0.038 -3.913 1.00 35.21 H new ATOM 0 HB3 HIS A 69 5.465 -1.451 -4.907 1.00 35.21 H new ATOM 0 HD2 HIS A 69 6.580 -0.054 -1.390 1.00 42.14 H new ATOM 0 HE1 HIS A 69 7.462 -4.196 -1.582 1.00 20.15 H new ATOM 0 HE2 HIS A 69 7.413 -2.145 -0.079 1.00 43.24 H new ATOM 1151 N SER A 70 9.374 -0.551 -4.803 1.00 62.14 N ATOM 1152 CA SER A 70 10.580 -1.380 -4.953 1.00 13.03 C ATOM 1153 C SER A 70 10.816 -2.247 -3.703 1.00 62.41 C ATOM 1154 O SER A 70 9.937 -2.371 -2.851 1.00 1.13 O ATOM 1155 CB SER A 70 11.805 -0.487 -5.203 1.00 42.23 C ATOM 1156 OG SER A 70 11.626 0.333 -6.345 1.00 64.50 O ATOM 0 H SER A 70 9.524 0.310 -4.276 1.00 62.14 H new ATOM 0 HA SER A 70 10.431 -2.041 -5.807 1.00 13.03 H new ATOM 0 HB2 SER A 70 11.985 0.139 -4.329 1.00 42.23 H new ATOM 0 HB3 SER A 70 12.690 -1.110 -5.336 1.00 42.23 H new ATOM 0 HG SER A 70 10.830 0.041 -6.836 1.00 64.50 H new ATOM 1162 N ASP A 71 12.007 -2.843 -3.611 1.00 11.03 N ATOM 1163 CA ASP A 71 12.394 -3.685 -2.463 1.00 51.41 C ATOM 1164 C ASP A 71 12.087 -3.022 -1.099 1.00 14.23 C ATOM 1165 O ASP A 71 11.350 -3.577 -0.280 1.00 32.23 O ATOM 1166 CB ASP A 71 13.887 -4.027 -2.578 1.00 30.54 C ATOM 1167 CG ASP A 71 14.707 -2.832 -3.036 1.00 35.54 C ATOM 1168 OD1 ASP A 71 14.827 -2.625 -4.261 1.00 14.45 O ATOM 1169 OD2 ASP A 71 15.201 -2.072 -2.178 1.00 13.04 O ATOM 0 H ASP A 71 12.732 -2.760 -4.324 1.00 11.03 H new ATOM 0 HA ASP A 71 11.795 -4.595 -2.496 1.00 51.41 H new ATOM 0 HB2 ASP A 71 14.256 -4.372 -1.612 1.00 30.54 H new ATOM 0 HB3 ASP A 71 14.018 -4.849 -3.282 1.00 30.54 H new ATOM 1174 N LYS A 72 12.670 -1.850 -0.848 1.00 71.20 N ATOM 1175 CA LYS A 72 12.384 -1.090 0.377 1.00 64.31 C ATOM 1176 C LYS A 72 11.094 -0.254 0.229 1.00 53.42 C ATOM 1177 O LYS A 72 10.120 -0.460 0.955 1.00 61.44 O ATOM 1178 CB LYS A 72 13.589 -0.198 0.739 1.00 5.30 C ATOM 1179 CG LYS A 72 14.117 0.641 -0.423 1.00 55.32 C ATOM 1180 CD LYS A 72 15.389 1.400 -0.060 1.00 71.24 C ATOM 1181 CE LYS A 72 15.944 2.175 -1.253 1.00 23.33 C ATOM 1182 NZ LYS A 72 17.212 2.878 -0.920 1.00 14.51 N ATOM 0 H LYS A 72 13.342 -1.404 -1.472 1.00 71.20 H new ATOM 0 HA LYS A 72 12.219 -1.796 1.191 1.00 64.31 H new ATOM 0 HB2 LYS A 72 13.302 0.468 1.553 1.00 5.30 H new ATOM 0 HB3 LYS A 72 14.395 -0.829 1.113 1.00 5.30 H new ATOM 0 HG2 LYS A 72 14.315 -0.008 -1.276 1.00 55.32 H new ATOM 0 HG3 LYS A 72 13.350 1.350 -0.734 1.00 55.32 H new ATOM 0 HD2 LYS A 72 15.180 2.090 0.757 1.00 71.24 H new ATOM 0 HD3 LYS A 72 16.141 0.698 0.300 1.00 71.24 H new ATOM 0 HE2 LYS A 72 16.117 1.489 -2.082 1.00 23.33 H new ATOM 0 HE3 LYS A 72 15.204 2.901 -1.589 1.00 23.33 H new ATOM 0 HZ1 LYS A 72 17.554 3.391 -1.757 1.00 14.51 H new ATOM 0 HZ2 LYS A 72 17.043 3.552 -0.146 1.00 14.51 H new ATOM 0 HZ3 LYS A 72 17.927 2.183 -0.624 1.00 14.51 H new ATOM 1196 N LYS A 73 11.103 0.686 -0.718 1.00 15.42 N ATOM 1197 CA LYS A 73 9.926 1.504 -1.052 1.00 1.02 C ATOM 1198 C LYS A 73 10.020 2.002 -2.499 1.00 1.20 C ATOM 1199 O LYS A 73 9.084 1.848 -3.283 1.00 71.11 O ATOM 1200 CB LYS A 73 9.770 2.705 -0.095 1.00 51.15 C ATOM 1201 CG LYS A 73 9.060 2.376 1.219 1.00 70.10 C ATOM 1202 CD LYS A 73 8.854 3.617 2.087 1.00 23.33 C ATOM 1203 CE LYS A 73 10.168 4.154 2.643 1.00 40.11 C ATOM 1204 NZ LYS A 73 10.785 3.218 3.622 1.00 21.22 N ATOM 0 H LYS A 73 11.926 0.905 -1.279 1.00 15.42 H new ATOM 0 HA LYS A 73 9.046 0.871 -0.940 1.00 1.02 H new ATOM 0 HB2 LYS A 73 10.758 3.106 0.130 1.00 51.15 H new ATOM 0 HB3 LYS A 73 9.216 3.492 -0.606 1.00 51.15 H new ATOM 0 HG2 LYS A 73 8.094 1.920 1.004 1.00 70.10 H new ATOM 0 HG3 LYS A 73 9.644 1.640 1.772 1.00 70.10 H new ATOM 0 HD2 LYS A 73 8.366 4.394 1.498 1.00 23.33 H new ATOM 0 HD3 LYS A 73 8.184 3.374 2.912 1.00 23.33 H new ATOM 0 HE2 LYS A 73 10.863 4.330 1.822 1.00 40.11 H new ATOM 0 HE3 LYS A 73 9.992 5.116 3.124 1.00 40.11 H new ATOM 0 HZ1 LYS A 73 11.558 3.700 4.123 1.00 21.22 H new ATOM 0 HZ2 LYS A 73 10.067 2.910 4.308 1.00 21.22 H new ATOM 0 HZ3 LYS A 73 11.162 2.389 3.120 1.00 21.22 H new ATOM 1218 N GLY A 74 11.163 2.594 -2.846 1.00 71.40 N ATOM 1219 CA GLY A 74 11.390 3.057 -4.212 1.00 72.55 C ATOM 1220 C GLY A 74 10.663 4.358 -4.532 1.00 71.34 C ATOM 1221 O GLY A 74 11.271 5.429 -4.539 1.00 51.51 O ATOM 0 H GLY A 74 11.939 2.762 -2.206 1.00 71.40 H new ATOM 0 HA2 GLY A 74 12.460 3.198 -4.368 1.00 72.55 H new ATOM 0 HA3 GLY A 74 11.065 2.285 -4.909 1.00 72.55 H new ATOM 1225 N VAL A 75 9.358 4.260 -4.801 1.00 20.23 N ATOM 1226 CA VAL A 75 8.531 5.431 -5.133 1.00 64.14 C ATOM 1227 C VAL A 75 9.148 6.242 -6.296 1.00 65.34 C ATOM 1228 O VAL A 75 9.060 7.468 -6.346 1.00 64.40 O ATOM 1229 CB VAL A 75 8.317 6.341 -3.885 1.00 2.44 C ATOM 1230 CG1 VAL A 75 7.251 7.406 -4.149 1.00 51.00 C ATOM 1231 CG2 VAL A 75 7.943 5.500 -2.663 1.00 32.04 C ATOM 0 H VAL A 75 8.846 3.378 -4.796 1.00 20.23 H new ATOM 0 HA VAL A 75 7.558 5.062 -5.457 1.00 64.14 H new ATOM 0 HB VAL A 75 9.258 6.852 -3.681 1.00 2.44 H new ATOM 0 HG11 VAL A 75 7.126 8.024 -3.260 1.00 51.00 H new ATOM 0 HG12 VAL A 75 7.562 8.032 -4.985 1.00 51.00 H new ATOM 0 HG13 VAL A 75 6.305 6.922 -4.391 1.00 51.00 H new ATOM 0 HG21 VAL A 75 7.798 6.153 -1.802 1.00 32.04 H new ATOM 0 HG22 VAL A 75 7.021 4.955 -2.865 1.00 32.04 H new ATOM 0 HG23 VAL A 75 8.744 4.792 -2.450 1.00 32.04 H new ATOM 1241 N SER A 76 9.763 5.531 -7.244 1.00 43.44 N ATOM 1242 CA SER A 76 10.390 6.161 -8.420 1.00 74.44 C ATOM 1243 C SER A 76 9.383 6.975 -9.242 1.00 65.44 C ATOM 1244 O SER A 76 9.762 7.890 -9.977 1.00 12.15 O ATOM 1245 CB SER A 76 11.037 5.098 -9.320 1.00 44.11 C ATOM 1246 OG SER A 76 12.060 4.393 -8.634 1.00 72.10 O ATOM 0 H SER A 76 9.843 4.514 -7.224 1.00 43.44 H new ATOM 0 HA SER A 76 11.154 6.842 -8.045 1.00 74.44 H new ATOM 0 HB2 SER A 76 10.276 4.397 -9.662 1.00 44.11 H new ATOM 0 HB3 SER A 76 11.453 5.575 -10.207 1.00 44.11 H new ATOM 0 HG SER A 76 12.452 3.722 -9.231 1.00 72.10 H new ATOM 1252 N ALA A 77 8.102 6.634 -9.122 1.00 45.04 N ATOM 1253 CA ALA A 77 7.043 7.337 -9.846 1.00 74.04 C ATOM 1254 C ALA A 77 5.654 7.039 -9.262 1.00 44.34 C ATOM 1255 O ALA A 77 5.303 5.879 -9.028 1.00 1.42 O ATOM 1256 CB ALA A 77 7.085 6.959 -11.324 1.00 44.22 C ATOM 0 H ALA A 77 7.771 5.873 -8.529 1.00 45.04 H new ATOM 0 HA ALA A 77 7.220 8.407 -9.738 1.00 74.04 H new ATOM 0 HB1 ALA A 77 6.294 7.486 -11.857 1.00 44.22 H new ATOM 0 HB2 ALA A 77 8.052 7.237 -11.743 1.00 44.22 H new ATOM 0 HB3 ALA A 77 6.939 5.884 -11.429 1.00 44.22 H new ATOM 1262 N TRP A 78 4.883 8.092 -9.004 1.00 51.02 N ATOM 1263 CA TRP A 78 3.465 7.957 -8.648 1.00 12.04 C ATOM 1264 C TRP A 78 2.592 8.697 -9.672 1.00 1.24 C ATOM 1265 O TRP A 78 2.846 9.858 -9.994 1.00 64.55 O ATOM 1266 CB TRP A 78 3.190 8.467 -7.218 1.00 22.40 C ATOM 1267 CG TRP A 78 3.846 9.777 -6.874 1.00 23.13 C ATOM 1268 CD1 TRP A 78 5.067 9.946 -6.290 1.00 73.54 C ATOM 1269 CD2 TRP A 78 3.312 11.096 -7.066 1.00 40.23 C ATOM 1270 NE1 TRP A 78 5.329 11.280 -6.113 1.00 44.12 N ATOM 1271 CE2 TRP A 78 4.269 12.008 -6.581 1.00 3.21 C ATOM 1272 CE3 TRP A 78 2.123 11.595 -7.603 1.00 13.22 C ATOM 1273 CZ2 TRP A 78 4.075 13.385 -6.616 1.00 60.31 C ATOM 1274 CZ3 TRP A 78 1.930 12.964 -7.638 1.00 50.34 C ATOM 1275 CH2 TRP A 78 2.900 13.845 -7.147 1.00 24.42 C ATOM 0 H TRP A 78 5.215 9.056 -9.034 1.00 51.02 H new ATOM 0 HA TRP A 78 3.208 6.898 -8.669 1.00 12.04 H new ATOM 0 HB2 TRP A 78 2.113 8.571 -7.086 1.00 22.40 H new ATOM 0 HB3 TRP A 78 3.526 7.712 -6.508 1.00 22.40 H new ATOM 0 HD1 TRP A 78 5.732 9.144 -6.007 1.00 73.54 H new ATOM 0 HE1 TRP A 78 6.177 11.667 -5.699 1.00 44.12 H new ATOM 0 HE3 TRP A 78 1.368 10.924 -7.984 1.00 13.22 H new ATOM 0 HZ2 TRP A 78 4.823 14.066 -6.238 1.00 60.31 H new ATOM 0 HZ3 TRP A 78 1.014 13.360 -8.052 1.00 50.34 H new ATOM 0 HH2 TRP A 78 2.718 14.909 -7.188 1.00 24.42 H new ATOM 1286 N GLU A 79 1.582 8.014 -10.209 1.00 20.15 N ATOM 1287 CA GLU A 79 0.719 8.606 -11.242 1.00 1.04 C ATOM 1288 C GLU A 79 -0.738 8.714 -10.777 1.00 32.30 C ATOM 1289 O GLU A 79 -1.266 7.817 -10.116 1.00 71.21 O ATOM 1290 CB GLU A 79 0.809 7.794 -12.536 1.00 54.24 C ATOM 1291 CG GLU A 79 2.236 7.637 -13.049 1.00 71.34 C ATOM 1292 CD GLU A 79 2.304 7.021 -14.436 1.00 61.32 C ATOM 1293 OE1 GLU A 79 2.362 5.781 -14.544 1.00 63.33 O ATOM 1294 OE2 GLU A 79 2.309 7.782 -15.427 1.00 54.23 O ATOM 0 H GLU A 79 1.339 7.057 -9.952 1.00 20.15 H new ATOM 0 HA GLU A 79 1.076 9.618 -11.430 1.00 1.04 H new ATOM 0 HB2 GLU A 79 0.380 6.806 -12.368 1.00 54.24 H new ATOM 0 HB3 GLU A 79 0.205 8.278 -13.304 1.00 54.24 H new ATOM 0 HG2 GLU A 79 2.719 8.614 -13.067 1.00 71.34 H new ATOM 0 HG3 GLU A 79 2.800 7.015 -12.353 1.00 71.34 H new ATOM 1301 N GLU A 80 -1.379 9.820 -11.144 1.00 14.33 N ATOM 1302 CA GLU A 80 -2.730 10.148 -10.672 1.00 1.25 C ATOM 1303 C GLU A 80 -3.821 9.413 -11.470 1.00 22.50 C ATOM 1304 O GLU A 80 -4.237 9.862 -12.543 1.00 34.32 O ATOM 1305 CB GLU A 80 -2.946 11.664 -10.768 1.00 0.21 C ATOM 1306 CG GLU A 80 -4.266 12.154 -10.190 1.00 23.14 C ATOM 1307 CD GLU A 80 -4.536 13.606 -10.545 1.00 71.40 C ATOM 1308 OE1 GLU A 80 -3.983 14.501 -9.869 1.00 22.41 O ATOM 1309 OE2 GLU A 80 -5.280 13.856 -11.517 1.00 21.40 O ATOM 0 H GLU A 80 -0.982 10.516 -11.775 1.00 14.33 H new ATOM 0 HA GLU A 80 -2.811 9.819 -9.636 1.00 1.25 H new ATOM 0 HB2 GLU A 80 -2.129 12.168 -10.251 1.00 0.21 H new ATOM 0 HB3 GLU A 80 -2.891 11.960 -11.816 1.00 0.21 H new ATOM 0 HG2 GLU A 80 -5.079 11.532 -10.564 1.00 23.14 H new ATOM 0 HG3 GLU A 80 -4.251 12.042 -9.106 1.00 23.14 H new ATOM 1316 N VAL A 81 -4.296 8.293 -10.932 1.00 10.51 N ATOM 1317 CA VAL A 81 -5.341 7.503 -11.588 1.00 60.42 C ATOM 1318 C VAL A 81 -6.699 7.689 -10.893 1.00 63.45 C ATOM 1319 O VAL A 81 -6.779 7.832 -9.674 1.00 43.40 O ATOM 1320 CB VAL A 81 -4.979 5.996 -11.627 1.00 65.15 C ATOM 1321 CG1 VAL A 81 -3.718 5.770 -12.461 1.00 4.12 C ATOM 1322 CG2 VAL A 81 -4.807 5.435 -10.216 1.00 30.13 C ATOM 0 H VAL A 81 -3.975 7.909 -10.043 1.00 10.51 H new ATOM 0 HA VAL A 81 -5.415 7.868 -12.612 1.00 60.42 H new ATOM 0 HB VAL A 81 -5.803 5.461 -12.099 1.00 65.15 H new ATOM 0 HG11 VAL A 81 -3.478 4.707 -12.478 1.00 4.12 H new ATOM 0 HG12 VAL A 81 -3.888 6.120 -13.479 1.00 4.12 H new ATOM 0 HG13 VAL A 81 -2.887 6.322 -12.022 1.00 4.12 H new ATOM 0 HG21 VAL A 81 -4.554 4.376 -10.274 1.00 30.13 H new ATOM 0 HG22 VAL A 81 -4.008 5.972 -9.706 1.00 30.13 H new ATOM 0 HG23 VAL A 81 -5.737 5.556 -9.661 1.00 30.13 H new ATOM 1332 N LYS A 82 -7.767 7.719 -11.678 1.00 72.51 N ATOM 1333 CA LYS A 82 -9.120 7.875 -11.135 1.00 24.25 C ATOM 1334 C LYS A 82 -9.974 6.621 -11.384 1.00 63.04 C ATOM 1335 O LYS A 82 -9.571 5.706 -12.101 1.00 73.10 O ATOM 1336 CB LYS A 82 -9.810 9.122 -11.726 1.00 62.31 C ATOM 1337 CG LYS A 82 -9.442 10.445 -11.040 1.00 3.45 C ATOM 1338 CD LYS A 82 -7.987 10.866 -11.271 1.00 14.43 C ATOM 1339 CE LYS A 82 -7.701 11.188 -12.735 1.00 41.42 C ATOM 1340 NZ LYS A 82 -6.315 11.700 -12.933 1.00 43.30 N ATOM 0 H LYS A 82 -7.728 7.638 -12.694 1.00 72.51 H new ATOM 0 HA LYS A 82 -9.026 8.009 -10.057 1.00 24.25 H new ATOM 0 HB2 LYS A 82 -9.556 9.194 -12.784 1.00 62.31 H new ATOM 0 HB3 LYS A 82 -10.890 8.986 -11.666 1.00 62.31 H new ATOM 0 HG2 LYS A 82 -10.102 11.231 -11.406 1.00 3.45 H new ATOM 0 HG3 LYS A 82 -9.620 10.352 -9.969 1.00 3.45 H new ATOM 0 HD2 LYS A 82 -7.763 11.740 -10.659 1.00 14.43 H new ATOM 0 HD3 LYS A 82 -7.323 10.067 -10.941 1.00 14.43 H new ATOM 0 HE2 LYS A 82 -7.846 10.292 -13.338 1.00 41.42 H new ATOM 0 HE3 LYS A 82 -8.416 11.930 -13.089 1.00 41.42 H new ATOM 0 HZ1 LYS A 82 -6.205 12.033 -13.912 1.00 43.30 H new ATOM 0 HZ2 LYS A 82 -6.139 12.488 -12.277 1.00 43.30 H new ATOM 0 HZ3 LYS A 82 -5.633 10.937 -12.748 1.00 43.30 H new ATOM 1354 N LYS A 83 -11.166 6.604 -10.786 1.00 4.30 N ATOM 1355 CA LYS A 83 -12.088 5.456 -10.859 1.00 11.42 C ATOM 1356 C LYS A 83 -12.421 5.003 -12.301 1.00 54.13 C ATOM 1357 O LYS A 83 -13.018 3.944 -12.495 1.00 43.32 O ATOM 1358 CB LYS A 83 -13.391 5.765 -10.091 1.00 65.03 C ATOM 1359 CG LYS A 83 -14.227 6.933 -10.639 1.00 44.43 C ATOM 1360 CD LYS A 83 -13.599 8.299 -10.349 1.00 11.13 C ATOM 1361 CE LYS A 83 -14.544 9.448 -10.685 1.00 61.52 C ATOM 1362 NZ LYS A 83 -15.811 9.381 -9.903 1.00 4.42 N ATOM 0 H LYS A 83 -11.525 7.384 -10.235 1.00 4.30 H new ATOM 0 HA LYS A 83 -11.562 4.623 -10.392 1.00 11.42 H new ATOM 0 HB2 LYS A 83 -14.011 4.868 -10.089 1.00 65.03 H new ATOM 0 HB3 LYS A 83 -13.137 5.980 -9.053 1.00 65.03 H new ATOM 0 HG2 LYS A 83 -14.347 6.814 -11.716 1.00 44.43 H new ATOM 0 HG3 LYS A 83 -15.225 6.897 -10.201 1.00 44.43 H new ATOM 0 HD2 LYS A 83 -13.322 8.354 -9.296 1.00 11.13 H new ATOM 0 HD3 LYS A 83 -12.680 8.405 -10.926 1.00 11.13 H new ATOM 0 HE2 LYS A 83 -14.045 10.397 -10.485 1.00 61.52 H new ATOM 0 HE3 LYS A 83 -14.775 9.427 -11.750 1.00 61.52 H new ATOM 0 HZ1 LYS A 83 -16.272 10.313 -9.909 1.00 4.42 H new ATOM 0 HZ2 LYS A 83 -16.446 8.677 -10.331 1.00 4.42 H new ATOM 0 HZ3 LYS A 83 -15.600 9.106 -8.923 1.00 4.42 H new ATOM 1376 N ASP A 84 -12.029 5.791 -13.301 1.00 44.33 N ATOM 1377 CA ASP A 84 -12.300 5.463 -14.709 1.00 62.32 C ATOM 1378 C ASP A 84 -11.741 4.080 -15.112 1.00 41.21 C ATOM 1379 O ASP A 84 -12.391 3.321 -15.839 1.00 13.21 O ATOM 1380 CB ASP A 84 -11.697 6.537 -15.616 1.00 44.52 C ATOM 1381 CG ASP A 84 -12.155 7.933 -15.242 1.00 53.12 C ATOM 1382 OD1 ASP A 84 -11.508 8.559 -14.378 1.00 20.11 O ATOM 1383 OD2 ASP A 84 -13.160 8.409 -15.810 1.00 51.12 O ATOM 0 H ASP A 84 -11.521 6.665 -13.166 1.00 44.33 H new ATOM 0 HA ASP A 84 -13.383 5.428 -14.828 1.00 62.32 H new ATOM 0 HB2 ASP A 84 -10.610 6.487 -15.560 1.00 44.52 H new ATOM 0 HB3 ASP A 84 -11.973 6.332 -16.650 1.00 44.52 H new ATOM 1388 N GLU A 85 -10.536 3.758 -14.637 1.00 61.20 N ATOM 1389 CA GLU A 85 -9.852 2.509 -15.023 1.00 73.20 C ATOM 1390 C GLU A 85 -10.020 1.390 -13.979 1.00 23.14 C ATOM 1391 O GLU A 85 -9.516 0.277 -14.167 1.00 41.41 O ATOM 1392 CB GLU A 85 -8.357 2.777 -15.257 1.00 43.23 C ATOM 1393 CG GLU A 85 -7.640 3.381 -14.051 1.00 33.45 C ATOM 1394 CD GLU A 85 -6.131 3.449 -14.237 1.00 5.01 C ATOM 1395 OE1 GLU A 85 -5.664 4.206 -15.115 1.00 11.03 O ATOM 1396 OE2 GLU A 85 -5.407 2.743 -13.506 1.00 13.23 O ATOM 0 H GLU A 85 -10.009 4.340 -13.985 1.00 61.20 H new ATOM 0 HA GLU A 85 -10.320 2.165 -15.945 1.00 73.20 H new ATOM 0 HB2 GLU A 85 -7.868 1.841 -15.527 1.00 43.23 H new ATOM 0 HB3 GLU A 85 -8.247 3.450 -16.107 1.00 43.23 H new ATOM 0 HG2 GLU A 85 -8.025 4.385 -13.870 1.00 33.45 H new ATOM 0 HG3 GLU A 85 -7.866 2.788 -13.165 1.00 33.45 H new ATOM 1403 N LEU A 86 -10.731 1.673 -12.891 1.00 13.44 N ATOM 1404 CA LEU A 86 -10.887 0.703 -11.800 1.00 52.42 C ATOM 1405 C LEU A 86 -12.065 -0.258 -12.051 1.00 64.04 C ATOM 1406 O LEU A 86 -13.198 0.179 -12.258 1.00 63.31 O ATOM 1407 CB LEU A 86 -11.085 1.434 -10.462 1.00 50.12 C ATOM 1408 CG LEU A 86 -9.916 2.335 -10.018 1.00 42.24 C ATOM 1409 CD1 LEU A 86 -10.221 2.987 -8.671 1.00 74.04 C ATOM 1410 CD2 LEU A 86 -8.613 1.538 -9.952 1.00 70.53 C ATOM 0 H LEU A 86 -11.208 2.561 -12.737 1.00 13.44 H new ATOM 0 HA LEU A 86 -9.974 0.109 -11.759 1.00 52.42 H new ATOM 0 HB2 LEU A 86 -11.985 2.045 -10.531 1.00 50.12 H new ATOM 0 HB3 LEU A 86 -11.263 0.691 -9.685 1.00 50.12 H new ATOM 0 HG LEU A 86 -9.793 3.125 -10.759 1.00 42.24 H new ATOM 0 HD11 LEU A 86 -9.384 3.619 -8.375 1.00 74.04 H new ATOM 0 HD12 LEU A 86 -11.122 3.595 -8.757 1.00 74.04 H new ATOM 0 HD13 LEU A 86 -10.375 2.213 -7.919 1.00 74.04 H new ATOM 0 HD21 LEU A 86 -7.801 2.193 -9.637 1.00 70.53 H new ATOM 0 HD22 LEU A 86 -8.721 0.723 -9.236 1.00 70.53 H new ATOM 0 HD23 LEU A 86 -8.387 1.128 -10.936 1.00 70.53 H new ATOM 1422 N PRO A 87 -11.814 -1.584 -12.039 1.00 64.05 N ATOM 1423 CA PRO A 87 -12.880 -2.591 -12.206 1.00 15.22 C ATOM 1424 C PRO A 87 -13.885 -2.582 -11.040 1.00 25.44 C ATOM 1425 O PRO A 87 -13.501 -2.706 -9.881 1.00 60.03 O ATOM 1426 CB PRO A 87 -12.112 -3.922 -12.256 1.00 41.23 C ATOM 1427 CG PRO A 87 -10.813 -3.645 -11.576 1.00 71.03 C ATOM 1428 CD PRO A 87 -10.486 -2.206 -11.877 1.00 25.42 C ATOM 0 HA PRO A 87 -13.483 -2.403 -13.094 1.00 15.22 H new ATOM 0 HB2 PRO A 87 -12.662 -4.714 -11.748 1.00 41.23 H new ATOM 0 HB3 PRO A 87 -11.957 -4.250 -13.284 1.00 41.23 H new ATOM 0 HG2 PRO A 87 -10.892 -3.811 -10.502 1.00 71.03 H new ATOM 0 HG3 PRO A 87 -10.030 -4.308 -11.944 1.00 71.03 H new ATOM 0 HD2 PRO A 87 -9.921 -1.744 -11.067 1.00 25.42 H new ATOM 0 HD3 PRO A 87 -9.884 -2.111 -12.781 1.00 25.42 H new ATOM 1436 N ALA A 88 -15.173 -2.458 -11.362 1.00 14.33 N ATOM 1437 CA ALA A 88 -16.242 -2.349 -10.350 1.00 52.44 C ATOM 1438 C ALA A 88 -16.068 -3.327 -9.171 1.00 31.23 C ATOM 1439 O ALA A 88 -16.269 -2.958 -8.010 1.00 5.20 O ATOM 1440 CB ALA A 88 -17.597 -2.568 -11.010 1.00 2.44 C ATOM 0 H ALA A 88 -15.511 -2.430 -12.324 1.00 14.33 H new ATOM 0 HA ALA A 88 -16.180 -1.344 -9.932 1.00 52.44 H new ATOM 0 HB1 ALA A 88 -18.384 -2.487 -10.260 1.00 2.44 H new ATOM 0 HB2 ALA A 88 -17.752 -1.814 -11.782 1.00 2.44 H new ATOM 0 HB3 ALA A 88 -17.626 -3.560 -11.461 1.00 2.44 H new ATOM 1446 N LYS A 89 -15.679 -4.565 -9.468 1.00 43.23 N ATOM 1447 CA LYS A 89 -15.526 -5.599 -8.436 1.00 31.22 C ATOM 1448 C LYS A 89 -14.453 -5.240 -7.387 1.00 34.31 C ATOM 1449 O LYS A 89 -14.615 -5.550 -6.206 1.00 44.01 O ATOM 1450 CB LYS A 89 -15.206 -6.959 -9.079 1.00 70.13 C ATOM 1451 CG LYS A 89 -16.315 -7.473 -9.997 1.00 73.14 C ATOM 1452 CD LYS A 89 -16.068 -8.912 -10.447 1.00 65.14 C ATOM 1453 CE LYS A 89 -17.188 -9.417 -11.350 1.00 12.13 C ATOM 1454 NZ LYS A 89 -17.032 -10.859 -11.683 1.00 55.43 N ATOM 0 H LYS A 89 -15.463 -4.881 -10.414 1.00 43.23 H new ATOM 0 HA LYS A 89 -16.479 -5.661 -7.911 1.00 31.22 H new ATOM 0 HB2 LYS A 89 -14.282 -6.874 -9.651 1.00 70.13 H new ATOM 0 HB3 LYS A 89 -15.027 -7.692 -8.292 1.00 70.13 H new ATOM 0 HG2 LYS A 89 -17.271 -7.415 -9.477 1.00 73.14 H new ATOM 0 HG3 LYS A 89 -16.389 -6.828 -10.872 1.00 73.14 H new ATOM 0 HD2 LYS A 89 -15.118 -8.970 -10.978 1.00 65.14 H new ATOM 0 HD3 LYS A 89 -15.985 -9.558 -9.573 1.00 65.14 H new ATOM 0 HE2 LYS A 89 -18.148 -9.261 -10.858 1.00 12.13 H new ATOM 0 HE3 LYS A 89 -17.203 -8.833 -12.270 1.00 12.13 H new ATOM 0 HZ1 LYS A 89 -17.815 -11.160 -12.298 1.00 55.43 H new ATOM 0 HZ2 LYS A 89 -16.128 -11.006 -12.176 1.00 55.43 H new ATOM 0 HZ3 LYS A 89 -17.044 -11.421 -10.808 1.00 55.43 H new ATOM 1468 N VAL A 90 -13.372 -4.574 -7.800 1.00 43.10 N ATOM 1469 CA VAL A 90 -12.293 -4.220 -6.862 1.00 54.30 C ATOM 1470 C VAL A 90 -12.784 -3.216 -5.805 1.00 21.15 C ATOM 1471 O VAL A 90 -12.201 -3.095 -4.728 1.00 12.12 O ATOM 1472 CB VAL A 90 -11.044 -3.640 -7.593 1.00 62.32 C ATOM 1473 CG1 VAL A 90 -11.253 -2.179 -8.000 1.00 64.11 C ATOM 1474 CG2 VAL A 90 -9.788 -3.791 -6.730 1.00 53.23 C ATOM 0 H VAL A 90 -13.217 -4.271 -8.762 1.00 43.10 H new ATOM 0 HA VAL A 90 -11.997 -5.146 -6.368 1.00 54.30 H new ATOM 0 HB VAL A 90 -10.904 -4.217 -8.507 1.00 62.32 H new ATOM 0 HG11 VAL A 90 -10.361 -1.811 -8.506 1.00 64.11 H new ATOM 0 HG12 VAL A 90 -12.108 -2.107 -8.673 1.00 64.11 H new ATOM 0 HG13 VAL A 90 -11.440 -1.577 -7.111 1.00 64.11 H new ATOM 0 HG21 VAL A 90 -8.930 -3.379 -7.261 1.00 53.23 H new ATOM 0 HG22 VAL A 90 -9.925 -3.255 -5.791 1.00 53.23 H new ATOM 0 HG23 VAL A 90 -9.614 -4.847 -6.523 1.00 53.23 H new ATOM 1484 N LYS A 91 -13.871 -2.513 -6.122 1.00 5.13 N ATOM 1485 CA LYS A 91 -14.463 -1.531 -5.211 1.00 3.21 C ATOM 1486 C LYS A 91 -15.676 -2.118 -4.462 1.00 1.03 C ATOM 1487 O LYS A 91 -15.706 -2.148 -3.233 1.00 44.12 O ATOM 1488 CB LYS A 91 -14.878 -0.281 -6.001 1.00 12.13 C ATOM 1489 CG LYS A 91 -15.413 0.857 -5.137 1.00 45.44 C ATOM 1490 CD LYS A 91 -15.717 2.100 -5.971 1.00 32.43 C ATOM 1491 CE LYS A 91 -16.194 3.261 -5.108 1.00 51.32 C ATOM 1492 NZ LYS A 91 -15.193 3.644 -4.078 1.00 31.32 N ATOM 0 H LYS A 91 -14.364 -2.606 -7.010 1.00 5.13 H new ATOM 0 HA LYS A 91 -13.715 -1.259 -4.466 1.00 3.21 H new ATOM 0 HB2 LYS A 91 -14.018 0.080 -6.566 1.00 12.13 H new ATOM 0 HB3 LYS A 91 -15.642 -0.561 -6.727 1.00 12.13 H new ATOM 0 HG2 LYS A 91 -16.318 0.531 -4.625 1.00 45.44 H new ATOM 0 HG3 LYS A 91 -14.683 1.104 -4.367 1.00 45.44 H new ATOM 0 HD2 LYS A 91 -14.822 2.398 -6.518 1.00 32.43 H new ATOM 0 HD3 LYS A 91 -16.479 1.862 -6.713 1.00 32.43 H new ATOM 0 HE2 LYS A 91 -16.406 4.121 -5.744 1.00 51.32 H new ATOM 0 HE3 LYS A 91 -17.129 2.988 -4.619 1.00 51.32 H new ATOM 0 HZ1 LYS A 91 -15.445 4.570 -3.677 1.00 31.32 H new ATOM 0 HZ2 LYS A 91 -15.182 2.930 -3.322 1.00 31.32 H new ATOM 0 HZ3 LYS A 91 -14.250 3.700 -4.514 1.00 31.32 H new ATOM 1506 N GLU A 92 -16.674 -2.587 -5.217 1.00 72.53 N ATOM 1507 CA GLU A 92 -17.909 -3.141 -4.636 1.00 53.24 C ATOM 1508 C GLU A 92 -17.646 -4.422 -3.819 1.00 12.10 C ATOM 1509 O GLU A 92 -18.275 -4.644 -2.780 1.00 4.23 O ATOM 1510 CB GLU A 92 -18.939 -3.426 -5.742 1.00 14.05 C ATOM 1511 CG GLU A 92 -19.390 -2.178 -6.504 1.00 34.13 C ATOM 1512 CD GLU A 92 -20.473 -2.468 -7.537 1.00 1.42 C ATOM 1513 OE1 GLU A 92 -21.624 -2.753 -7.137 1.00 61.32 O ATOM 1514 OE2 GLU A 92 -20.187 -2.417 -8.752 1.00 20.43 O ATOM 0 H GLU A 92 -16.654 -2.596 -6.237 1.00 72.53 H new ATOM 0 HA GLU A 92 -18.307 -2.391 -3.952 1.00 53.24 H new ATOM 0 HB2 GLU A 92 -18.511 -4.137 -6.449 1.00 14.05 H new ATOM 0 HB3 GLU A 92 -19.812 -3.904 -5.298 1.00 14.05 H new ATOM 0 HG2 GLU A 92 -19.762 -1.440 -5.793 1.00 34.13 H new ATOM 0 HG3 GLU A 92 -18.529 -1.734 -7.004 1.00 34.13 H new ATOM 1521 N LYS A 93 -16.731 -5.266 -4.295 1.00 51.41 N ATOM 1522 CA LYS A 93 -16.351 -6.493 -3.576 1.00 24.21 C ATOM 1523 C LYS A 93 -15.133 -6.237 -2.669 1.00 53.23 C ATOM 1524 O LYS A 93 -15.079 -6.724 -1.534 1.00 35.31 O ATOM 1525 CB LYS A 93 -16.048 -7.625 -4.577 1.00 65.41 C ATOM 1526 CG LYS A 93 -15.685 -8.961 -3.929 1.00 61.10 C ATOM 1527 CD LYS A 93 -16.831 -9.527 -3.095 1.00 25.42 C ATOM 1528 CE LYS A 93 -16.482 -10.890 -2.505 1.00 74.51 C ATOM 1529 NZ LYS A 93 -16.220 -11.906 -3.562 1.00 12.43 N ATOM 0 H LYS A 93 -16.236 -5.127 -5.176 1.00 51.41 H new ATOM 0 HA LYS A 93 -17.187 -6.797 -2.947 1.00 24.21 H new ATOM 0 HB2 LYS A 93 -16.918 -7.770 -5.217 1.00 65.41 H new ATOM 0 HB3 LYS A 93 -15.227 -7.313 -5.222 1.00 65.41 H new ATOM 0 HG2 LYS A 93 -15.414 -9.677 -4.705 1.00 61.10 H new ATOM 0 HG3 LYS A 93 -14.808 -8.829 -3.296 1.00 61.10 H new ATOM 0 HD2 LYS A 93 -17.072 -8.833 -2.290 1.00 25.42 H new ATOM 0 HD3 LYS A 93 -17.723 -9.617 -3.716 1.00 25.42 H new ATOM 0 HE2 LYS A 93 -15.603 -10.795 -1.868 1.00 74.51 H new ATOM 0 HE3 LYS A 93 -17.300 -11.230 -1.870 1.00 74.51 H new ATOM 0 HZ1 LYS A 93 -16.222 -12.856 -3.139 1.00 12.43 H new ATOM 0 HZ2 LYS A 93 -16.961 -11.850 -4.289 1.00 12.43 H new ATOM 0 HZ3 LYS A 93 -15.294 -11.723 -3.998 1.00 12.43 H new ATOM 1543 N LEU A 94 -14.169 -5.467 -3.186 1.00 53.21 N ATOM 1544 CA LEU A 94 -12.967 -5.061 -2.432 1.00 11.55 C ATOM 1545 C LEU A 94 -11.999 -6.239 -2.208 1.00 15.24 C ATOM 1546 O LEU A 94 -12.398 -7.326 -1.785 1.00 31.41 O ATOM 1547 CB LEU A 94 -13.364 -4.405 -1.087 1.00 15.13 C ATOM 1548 CG LEU A 94 -12.245 -3.658 -0.317 1.00 73.22 C ATOM 1549 CD1 LEU A 94 -12.849 -2.719 0.723 1.00 52.11 C ATOM 1550 CD2 LEU A 94 -11.278 -4.629 0.367 1.00 34.03 C ATOM 0 H LEU A 94 -14.196 -5.105 -4.139 1.00 53.21 H new ATOM 0 HA LEU A 94 -12.437 -4.324 -3.035 1.00 11.55 H new ATOM 0 HB2 LEU A 94 -14.173 -3.700 -1.278 1.00 15.13 H new ATOM 0 HB3 LEU A 94 -13.765 -5.181 -0.435 1.00 15.13 H new ATOM 0 HG LEU A 94 -11.682 -3.078 -1.048 1.00 73.22 H new ATOM 0 HD11 LEU A 94 -12.050 -2.202 1.255 1.00 52.11 H new ATOM 0 HD12 LEU A 94 -13.486 -1.987 0.226 1.00 52.11 H new ATOM 0 HD13 LEU A 94 -13.443 -3.295 1.432 1.00 52.11 H new ATOM 0 HD21 LEU A 94 -10.509 -4.065 0.895 1.00 34.03 H new ATOM 0 HD22 LEU A 94 -11.826 -5.249 1.077 1.00 34.03 H new ATOM 0 HD23 LEU A 94 -10.810 -5.265 -0.384 1.00 34.03 H new ATOM 1562 N GLY A 95 -10.718 -6.006 -2.495 1.00 62.11 N ATOM 1563 CA GLY A 95 -9.682 -6.999 -2.217 1.00 1.52 C ATOM 1564 C GLY A 95 -9.617 -8.137 -3.232 1.00 13.01 C ATOM 1565 O GLY A 95 -9.384 -9.292 -2.866 1.00 14.53 O ATOM 0 H GLY A 95 -10.375 -5.143 -2.917 1.00 62.11 H new ATOM 0 HA2 GLY A 95 -8.714 -6.499 -2.186 1.00 1.52 H new ATOM 0 HA3 GLY A 95 -9.855 -7.420 -1.227 1.00 1.52 H new ATOM 1569 N VAL A 96 -9.826 -7.818 -4.505 1.00 1.14 N ATOM 1570 CA VAL A 96 -9.700 -8.805 -5.583 1.00 42.15 C ATOM 1571 C VAL A 96 -8.438 -8.536 -6.415 1.00 44.10 C ATOM 1572 O VAL A 96 -8.036 -7.382 -6.586 1.00 15.33 O ATOM 1573 CB VAL A 96 -10.948 -8.806 -6.509 1.00 44.12 C ATOM 1574 CG1 VAL A 96 -12.220 -9.051 -5.701 1.00 20.41 C ATOM 1575 CG2 VAL A 96 -11.048 -7.504 -7.303 1.00 62.22 C ATOM 0 H VAL A 96 -10.084 -6.883 -4.821 1.00 1.14 H new ATOM 0 HA VAL A 96 -9.622 -9.787 -5.116 1.00 42.15 H new ATOM 0 HB VAL A 96 -10.835 -9.622 -7.223 1.00 44.12 H new ATOM 0 HG11 VAL A 96 -13.082 -9.048 -6.369 1.00 20.41 H new ATOM 0 HG12 VAL A 96 -12.153 -10.017 -5.200 1.00 20.41 H new ATOM 0 HG13 VAL A 96 -12.335 -8.264 -4.956 1.00 20.41 H new ATOM 0 HG21 VAL A 96 -11.931 -7.534 -7.942 1.00 62.22 H new ATOM 0 HG22 VAL A 96 -11.127 -6.663 -6.614 1.00 62.22 H new ATOM 0 HG23 VAL A 96 -10.158 -7.385 -7.920 1.00 62.22 H new ATOM 1585 N LYS A 97 -7.805 -9.598 -6.914 1.00 23.04 N ATOM 1586 CA LYS A 97 -6.594 -9.452 -7.726 1.00 4.01 C ATOM 1587 C LYS A 97 -6.873 -8.656 -9.010 1.00 20.40 C ATOM 1588 O LYS A 97 -7.634 -9.095 -9.881 1.00 52.13 O ATOM 1589 CB LYS A 97 -5.981 -10.827 -8.066 1.00 32.21 C ATOM 1590 CG LYS A 97 -6.931 -11.795 -8.775 1.00 41.44 C ATOM 1591 CD LYS A 97 -6.200 -13.023 -9.323 1.00 71.53 C ATOM 1592 CE LYS A 97 -5.178 -12.642 -10.393 1.00 52.14 C ATOM 1593 NZ LYS A 97 -4.520 -13.832 -10.999 1.00 1.52 N ATOM 0 H LYS A 97 -8.107 -10.562 -6.773 1.00 23.04 H new ATOM 0 HA LYS A 97 -5.871 -8.893 -7.132 1.00 4.01 H new ATOM 0 HB2 LYS A 97 -5.105 -10.673 -8.696 1.00 32.21 H new ATOM 0 HB3 LYS A 97 -5.633 -11.292 -7.144 1.00 32.21 H new ATOM 0 HG2 LYS A 97 -7.706 -12.116 -8.079 1.00 41.44 H new ATOM 0 HG3 LYS A 97 -7.432 -11.277 -9.593 1.00 41.44 H new ATOM 0 HD2 LYS A 97 -5.696 -13.541 -8.507 1.00 71.53 H new ATOM 0 HD3 LYS A 97 -6.925 -13.720 -9.744 1.00 71.53 H new ATOM 0 HE2 LYS A 97 -5.673 -12.066 -11.175 1.00 52.14 H new ATOM 0 HE3 LYS A 97 -4.419 -11.995 -9.953 1.00 52.14 H new ATOM 0 HZ1 LYS A 97 -4.079 -13.563 -11.901 1.00 1.52 H new ATOM 0 HZ2 LYS A 97 -3.791 -14.193 -10.351 1.00 1.52 H new ATOM 0 HZ3 LYS A 97 -5.230 -14.573 -11.168 1.00 1.52 H new ATOM 1607 N LEU A 98 -6.288 -7.464 -9.102 1.00 53.32 N ATOM 1608 CA LEU A 98 -6.386 -6.653 -10.318 1.00 62.10 C ATOM 1609 C LEU A 98 -5.724 -7.385 -11.501 1.00 64.03 C ATOM 1610 O LEU A 98 -4.542 -7.731 -11.452 1.00 25.34 O ATOM 1611 CB LEU A 98 -5.799 -5.225 -10.099 1.00 1.20 C ATOM 1612 CG LEU A 98 -4.269 -5.063 -9.843 1.00 32.55 C ATOM 1613 CD1 LEU A 98 -3.713 -6.126 -8.899 1.00 21.15 C ATOM 1614 CD2 LEU A 98 -3.476 -5.019 -11.153 1.00 32.15 C ATOM 0 H LEU A 98 -5.742 -7.037 -8.353 1.00 53.32 H new ATOM 0 HA LEU A 98 -7.439 -6.517 -10.563 1.00 62.10 H new ATOM 0 HB2 LEU A 98 -6.050 -4.629 -10.976 1.00 1.20 H new ATOM 0 HB3 LEU A 98 -6.322 -4.781 -9.252 1.00 1.20 H new ATOM 0 HG LEU A 98 -4.146 -4.102 -9.344 1.00 32.55 H new ATOM 0 HD11 LEU A 98 -2.644 -5.964 -8.757 1.00 21.15 H new ATOM 0 HD12 LEU A 98 -4.221 -6.060 -7.937 1.00 21.15 H new ATOM 0 HD13 LEU A 98 -3.876 -7.115 -9.328 1.00 21.15 H new ATOM 0 HD21 LEU A 98 -2.415 -4.905 -10.932 1.00 32.15 H new ATOM 0 HD22 LEU A 98 -3.635 -5.945 -11.706 1.00 32.15 H new ATOM 0 HD23 LEU A 98 -3.814 -4.175 -11.755 1.00 32.15 H new ATOM 1626 N GLU A 99 -6.502 -7.655 -12.548 1.00 3.42 N ATOM 1627 CA GLU A 99 -6.011 -8.443 -13.677 1.00 24.33 C ATOM 1628 C GLU A 99 -7.036 -8.512 -14.817 1.00 44.21 C ATOM 1629 O GLU A 99 -7.951 -9.339 -14.800 1.00 44.54 O ATOM 1630 CB GLU A 99 -5.662 -9.871 -13.222 1.00 21.21 C ATOM 1631 CG GLU A 99 -5.101 -10.756 -14.333 1.00 31.23 C ATOM 1632 CD GLU A 99 -4.991 -12.214 -13.921 1.00 51.14 C ATOM 1633 OE1 GLU A 99 -3.937 -12.613 -13.389 1.00 21.31 O ATOM 1634 OE2 GLU A 99 -5.964 -12.968 -14.129 1.00 53.15 O ATOM 0 H GLU A 99 -7.469 -7.342 -12.638 1.00 3.42 H new ATOM 0 HA GLU A 99 -5.117 -7.944 -14.051 1.00 24.33 H new ATOM 0 HB2 GLU A 99 -4.934 -9.816 -12.413 1.00 21.21 H new ATOM 0 HB3 GLU A 99 -6.557 -10.341 -12.814 1.00 21.21 H new ATOM 0 HG2 GLU A 99 -5.741 -10.678 -15.212 1.00 31.23 H new ATOM 0 HG3 GLU A 99 -4.116 -10.389 -14.622 1.00 31.23 H new ATOM 1641 N HIS A 100 -6.908 -7.613 -15.781 1.00 52.10 N ATOM 1642 CA HIS A 100 -7.593 -7.773 -17.067 1.00 60.34 C ATOM 1643 C HIS A 100 -6.670 -8.496 -18.060 1.00 70.31 C ATOM 1644 O HIS A 100 -7.136 -9.109 -19.017 1.00 71.22 O ATOM 1645 CB HIS A 100 -8.046 -6.422 -17.632 1.00 71.20 C ATOM 1646 CG HIS A 100 -9.201 -5.816 -16.885 1.00 23.45 C ATOM 1647 ND1 HIS A 100 -9.048 -4.881 -15.882 1.00 74.15 N ATOM 1648 CD2 HIS A 100 -10.538 -6.022 -16.999 1.00 21.22 C ATOM 1649 CE1 HIS A 100 -10.232 -4.542 -15.412 1.00 41.33 C ATOM 1650 NE2 HIS A 100 -11.149 -5.216 -16.071 1.00 75.21 N ATOM 0 H HIS A 100 -6.341 -6.768 -15.704 1.00 52.10 H new ATOM 0 HA HIS A 100 -8.488 -8.375 -16.908 1.00 60.34 H new ATOM 0 HB2 HIS A 100 -7.206 -5.728 -17.611 1.00 71.20 H new ATOM 0 HB3 HIS A 100 -8.327 -6.550 -18.677 1.00 71.20 H new ATOM 0 HD2 HIS A 100 -11.028 -6.693 -17.689 1.00 21.22 H new ATOM 0 HE1 HIS A 100 -10.417 -3.831 -14.620 1.00 41.33 H new ATOM 0 HE2 HIS A 100 -12.155 -5.150 -15.917 1.00 75.21 H new ATOM 1659 N HIS A 101 -5.354 -8.404 -17.801 1.00 12.11 N ATOM 1660 CA HIS A 101 -4.316 -9.135 -18.555 1.00 33.51 C ATOM 1661 C HIS A 101 -4.160 -8.634 -20.005 1.00 54.42 C ATOM 1662 O HIS A 101 -3.093 -8.154 -20.392 1.00 30.21 O ATOM 1663 CB HIS A 101 -4.609 -10.645 -18.531 1.00 63.22 C ATOM 1664 CG HIS A 101 -3.561 -11.489 -19.196 1.00 22.11 C ATOM 1665 ND1 HIS A 101 -2.298 -11.656 -18.678 1.00 12.11 N ATOM 1666 CD2 HIS A 101 -3.590 -12.218 -20.341 1.00 60.22 C ATOM 1667 CE1 HIS A 101 -1.596 -12.443 -19.465 1.00 65.34 C ATOM 1668 NE2 HIS A 101 -2.354 -12.802 -20.482 1.00 5.23 N ATOM 0 H HIS A 101 -4.976 -7.817 -17.058 1.00 12.11 H new ATOM 0 HA HIS A 101 -3.365 -8.941 -18.058 1.00 33.51 H new ATOM 0 HB2 HIS A 101 -4.714 -10.966 -17.495 1.00 63.22 H new ATOM 0 HB3 HIS A 101 -5.567 -10.825 -19.019 1.00 63.22 H new ATOM 0 HD2 HIS A 101 -4.428 -12.320 -21.015 1.00 60.22 H new ATOM 0 HE1 HIS A 101 -0.571 -12.744 -19.305 1.00 65.34 H new ATOM 0 HE2 HIS A 101 -2.070 -13.413 -21.248 1.00 5.23 H new ATOM 1677 N HIS A 102 -5.218 -8.776 -20.798 1.00 44.41 N ATOM 1678 CA HIS A 102 -5.225 -8.356 -22.201 1.00 12.03 C ATOM 1679 C HIS A 102 -4.697 -6.910 -22.369 1.00 12.03 C ATOM 1680 O HIS A 102 -5.385 -5.945 -22.034 1.00 63.44 O ATOM 1681 CB HIS A 102 -6.655 -8.474 -22.751 1.00 41.10 C ATOM 1682 CG HIS A 102 -6.742 -8.506 -24.246 1.00 54.24 C ATOM 1683 ND1 HIS A 102 -6.984 -9.663 -24.959 1.00 70.03 N ATOM 1684 CD2 HIS A 102 -6.630 -7.521 -25.167 1.00 45.43 C ATOM 1685 CE1 HIS A 102 -7.019 -9.387 -26.244 1.00 20.14 C ATOM 1686 NE2 HIS A 102 -6.807 -8.098 -26.398 1.00 41.44 N ATOM 0 H HIS A 102 -6.099 -9.186 -20.487 1.00 44.41 H new ATOM 0 HA HIS A 102 -4.556 -9.008 -22.763 1.00 12.03 H new ATOM 0 HB2 HIS A 102 -7.111 -9.381 -22.353 1.00 41.10 H new ATOM 0 HB3 HIS A 102 -7.243 -7.634 -22.383 1.00 41.10 H new ATOM 0 HD2 HIS A 102 -6.437 -6.477 -24.970 1.00 45.43 H new ATOM 0 HE1 HIS A 102 -7.192 -10.098 -27.038 1.00 20.14 H new ATOM 0 HE2 HIS A 102 -6.779 -7.606 -27.291 1.00 41.44 H new ATOM 1695 N HIS A 103 -3.464 -6.779 -22.864 1.00 74.45 N ATOM 1696 CA HIS A 103 -2.846 -5.460 -23.092 1.00 52.22 C ATOM 1697 C HIS A 103 -2.039 -5.419 -24.404 1.00 13.01 C ATOM 1698 O HIS A 103 -1.185 -4.548 -24.591 1.00 10.41 O ATOM 1699 CB HIS A 103 -1.942 -5.073 -21.903 1.00 3.30 C ATOM 1700 CG HIS A 103 -2.650 -4.333 -20.804 1.00 52.24 C ATOM 1701 ND1 HIS A 103 -2.281 -4.413 -19.477 1.00 61.41 N ATOM 1702 CD2 HIS A 103 -3.678 -3.453 -20.847 1.00 22.22 C ATOM 1703 CE1 HIS A 103 -3.049 -3.619 -18.759 1.00 40.32 C ATOM 1704 NE2 HIS A 103 -3.903 -3.025 -19.563 1.00 11.01 N ATOM 0 H HIS A 103 -2.869 -7.568 -23.117 1.00 74.45 H new ATOM 0 HA HIS A 103 -3.656 -4.736 -23.179 1.00 52.22 H new ATOM 0 HB2 HIS A 103 -1.499 -5.979 -21.489 1.00 3.30 H new ATOM 0 HB3 HIS A 103 -1.122 -4.456 -22.271 1.00 3.30 H new ATOM 0 HD2 HIS A 103 -4.220 -3.145 -21.729 1.00 22.22 H new ATOM 0 HE1 HIS A 103 -2.987 -3.480 -17.690 1.00 40.32 H new ATOM 0 HE2 HIS A 103 -4.617 -2.355 -19.278 1.00 11.01 H new ATOM 1713 N HIS A 104 -2.313 -6.353 -25.313 1.00 0.01 N ATOM 1714 CA HIS A 104 -1.660 -6.358 -26.630 1.00 53.53 C ATOM 1715 C HIS A 104 -2.628 -6.806 -27.742 1.00 44.53 C ATOM 1716 O HIS A 104 -2.828 -7.998 -27.967 1.00 32.32 O ATOM 1717 CB HIS A 104 -0.386 -7.230 -26.615 1.00 23.44 C ATOM 1718 CG HIS A 104 -0.571 -8.617 -26.061 1.00 50.13 C ATOM 1719 ND1 HIS A 104 -0.373 -8.933 -24.730 1.00 13.21 N ATOM 1720 CD2 HIS A 104 -0.919 -9.781 -26.665 1.00 51.14 C ATOM 1721 CE1 HIS A 104 -0.587 -10.220 -24.545 1.00 31.33 C ATOM 1722 NE2 HIS A 104 -0.919 -10.756 -25.700 1.00 5.44 N ATOM 0 H HIS A 104 -2.977 -7.113 -25.168 1.00 0.01 H new ATOM 0 HA HIS A 104 -1.363 -5.333 -26.851 1.00 53.53 H new ATOM 0 HB2 HIS A 104 -0.006 -7.310 -27.634 1.00 23.44 H new ATOM 0 HB3 HIS A 104 0.378 -6.720 -26.029 1.00 23.44 H new ATOM 0 HD2 HIS A 104 -1.153 -9.915 -27.711 1.00 51.14 H new ATOM 0 HE1 HIS A 104 -0.504 -10.746 -23.605 1.00 31.33 H new ATOM 0 HE2 HIS A 104 -1.141 -11.740 -25.853 1.00 5.44 H new ATOM 1731 N HIS A 105 -3.233 -5.825 -28.419 1.00 63.45 N ATOM 1732 CA HIS A 105 -4.177 -6.071 -29.525 1.00 14.53 C ATOM 1733 C HIS A 105 -5.410 -6.895 -29.080 1.00 52.51 C ATOM 1734 O HIS A 105 -6.390 -6.289 -28.593 1.00 37.90 O ATOM 1735 CB HIS A 105 -3.458 -6.752 -30.699 1.00 4.24 C ATOM 1736 CG HIS A 105 -2.280 -5.973 -31.208 1.00 61.31 C ATOM 1737 ND1 HIS A 105 -2.388 -4.964 -32.141 1.00 53.33 N ATOM 1738 CD2 HIS A 105 -0.962 -6.059 -30.908 1.00 60.13 C ATOM 1739 CE1 HIS A 105 -1.196 -4.465 -32.388 1.00 20.10 C ATOM 1740 NE2 HIS A 105 -0.313 -5.107 -31.655 1.00 63.25 N ATOM 1741 OXT HIS A 105 -5.403 -8.140 -29.223 1.00 37.90 O ATOM 0 H HIS A 105 -3.085 -4.836 -28.219 1.00 63.45 H new ATOM 0 HA HIS A 105 -4.551 -5.101 -29.852 1.00 14.53 H new ATOM 0 HB2 HIS A 105 -3.123 -7.741 -30.386 1.00 4.24 H new ATOM 0 HB3 HIS A 105 -4.167 -6.899 -31.514 1.00 4.24 H new ATOM 0 HD2 HIS A 105 -0.507 -6.748 -30.212 1.00 60.13 H new ATOM 0 HE1 HIS A 105 -0.979 -3.662 -33.077 1.00 20.10 H new ATOM 0 HE2 HIS A 105 0.691 -4.927 -31.643 1.00 63.25 H new TER 1750 HIS A 105