USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 803 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 86 HIS : no HD1:sc= 1.42 K(o=2.7,f=-3.7) USER MOD Set 1.2: A 91 THR OG1 : rot -90:sc= 1.29 USER MOD Set 2.1: A 46 ASN : amide:sc=-0.00269 K(o=0.075,f=-4.4!) USER MOD Set 2.2: A 78 SER OG : rot -153:sc= 0.0779 USER MOD Set 3.1: A 7 HIS : no HD1:sc= 0.214 K(o=0.2,f=-0.82) USER MOD Set 3.2: A 58 SER OG : rot -130:sc= -0.0154 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -115:sc= 0.0842 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.0075) USER MOD Single : A 5 HIS : no HD1:sc= -0.0804 X(o=-0.08,f=-0.081) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 8 HIS : no HD1:sc= -0.0486 X(o=-0.049,f=-0.22) USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 TYR OH : rot -31:sc= 0.331 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -49:sc= 0.555 USER MOD Single : A 27 GLN : amide:sc= -1.35 K(o=-1.3,f=-0.12) USER MOD Single : A 33 HIS : no HD1:sc= -0.572 K(o=-0.57,f=0.08) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0845 USER MOD Single : A 44 HIS : no HD1:sc= -0.444 K(o=-0.44,f=-2) USER MOD Single : A 56 ASN : amide:sc= -1.15 K(o=-1.2,f=-0.04) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 143:sc= 0.941 (180deg=-0.128) USER MOD Single : A 64 LYS NZ :NH3+ 167:sc= 0.52 (180deg=0.307) USER MOD Single : A 72 LYS NZ :NH3+ 149:sc= -0.121 (180deg=-0.184) USER MOD Single : A 79 SER OG : rot 121:sc= 0.024 USER MOD Single : A 84 ASN : amide:sc= -4.13 K(o=-4.1,f=-0.85) USER MOD Single : A 87 SER OG : rot 130:sc= -0.0453 USER MOD Single : A 90 GLN : amide:sc= -0.793 K(o=-0.79,f=-0.0083) USER MOD Single : A 93 THR OG1 : rot 41:sc= 0.251 USER MOD Single : A 95 ASN : amide:sc= -1.7! K(o=-1.7!,f=-1.1) USER MOD Single : A 97 LYS NZ :NH3+ -107:sc= 0.466 (180deg=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.092 8.007 35.651 1.00 21.44 N ATOM 2 CA MET A 1 -11.419 7.577 34.275 1.00 61.33 C ATOM 3 C MET A 1 -10.822 8.557 33.251 1.00 4.14 C ATOM 4 O MET A 1 -10.477 9.697 33.594 1.00 44.34 O ATOM 5 CB MET A 1 -12.960 7.446 34.089 1.00 74.22 C ATOM 6 CG MET A 1 -13.759 8.762 34.170 1.00 11.44 C ATOM 7 SD MET A 1 -15.525 8.513 33.856 1.00 53.30 S ATOM 8 CE MET A 1 -16.159 10.196 33.852 1.00 22.13 C ATOM 0 H1 MET A 1 -10.475 7.299 36.098 1.00 21.44 H new ATOM 0 H2 MET A 1 -10.602 8.924 35.621 1.00 21.44 H new ATOM 0 H3 MET A 1 -11.968 8.101 36.203 1.00 21.44 H new ATOM 0 HA MET A 1 -10.977 6.595 34.106 1.00 61.33 H new ATOM 0 HB2 MET A 1 -13.152 6.985 33.120 1.00 74.22 H new ATOM 0 HB3 MET A 1 -13.342 6.763 34.848 1.00 74.22 H new ATOM 0 HG2 MET A 1 -13.627 9.205 35.157 1.00 11.44 H new ATOM 0 HG3 MET A 1 -13.360 9.472 33.446 1.00 11.44 H new ATOM 0 HE1 MET A 1 -17.233 10.180 33.669 1.00 22.13 H new ATOM 0 HE2 MET A 1 -15.962 10.661 34.818 1.00 22.13 H new ATOM 0 HE3 MET A 1 -15.666 10.769 33.066 1.00 22.13 H new ATOM 20 N GLY A 2 -10.695 8.096 31.998 1.00 41.10 N ATOM 21 CA GLY A 2 -10.205 8.923 30.889 1.00 74.01 C ATOM 22 C GLY A 2 -9.364 8.123 29.900 1.00 23.22 C ATOM 23 O GLY A 2 -8.991 6.974 30.181 1.00 34.03 O ATOM 0 H GLY A 2 -10.929 7.141 31.727 1.00 41.10 H new ATOM 0 HA2 GLY A 2 -11.053 9.366 30.367 1.00 74.01 H new ATOM 0 HA3 GLY A 2 -9.610 9.745 31.287 1.00 74.01 H new ATOM 27 N HIS A 3 -9.066 8.735 28.738 1.00 21.23 N ATOM 28 CA HIS A 3 -8.260 8.100 27.675 1.00 15.43 C ATOM 29 C HIS A 3 -7.662 9.166 26.743 1.00 34.54 C ATOM 30 O HIS A 3 -8.309 10.171 26.434 1.00 64.34 O ATOM 31 CB HIS A 3 -9.114 7.093 26.854 1.00 13.05 C ATOM 32 CG HIS A 3 -8.347 6.327 25.793 1.00 34.41 C ATOM 33 ND1 HIS A 3 -7.543 5.241 26.077 1.00 2.01 N ATOM 34 CD2 HIS A 3 -8.255 6.507 24.451 1.00 21.10 C ATOM 35 CE1 HIS A 3 -6.996 4.794 24.962 1.00 61.24 C ATOM 36 NE2 HIS A 3 -7.412 5.543 23.964 1.00 64.12 N ATOM 0 H HIS A 3 -9.375 9.680 28.509 1.00 21.23 H new ATOM 0 HA HIS A 3 -7.448 7.552 28.153 1.00 15.43 H new ATOM 0 HB2 HIS A 3 -9.568 6.379 27.541 1.00 13.05 H new ATOM 0 HB3 HIS A 3 -9.928 7.636 26.373 1.00 13.05 H new ATOM 0 HD2 HIS A 3 -8.755 7.270 23.873 1.00 21.10 H new ATOM 0 HE1 HIS A 3 -6.321 3.955 24.883 1.00 61.24 H new ATOM 0 HE2 HIS A 3 -7.149 5.425 22.985 1.00 64.12 H new ATOM 45 N HIS A 4 -6.411 8.927 26.313 1.00 53.44 N ATOM 46 CA HIS A 4 -5.721 9.722 25.278 1.00 62.32 C ATOM 47 C HIS A 4 -5.020 8.772 24.290 1.00 1.30 C ATOM 48 O HIS A 4 -4.996 7.557 24.502 1.00 53.23 O ATOM 49 CB HIS A 4 -4.685 10.688 25.914 1.00 61.55 C ATOM 50 CG HIS A 4 -5.289 11.724 26.822 1.00 32.02 C ATOM 51 ND1 HIS A 4 -5.209 11.660 28.195 1.00 50.24 N ATOM 52 CD2 HIS A 4 -6.003 12.840 26.543 1.00 75.11 C ATOM 53 CE1 HIS A 4 -5.844 12.685 28.717 1.00 32.32 C ATOM 54 NE2 HIS A 4 -6.337 13.419 27.740 1.00 34.50 N ATOM 0 H HIS A 4 -5.841 8.165 26.679 1.00 53.44 H new ATOM 0 HA HIS A 4 -6.460 10.324 24.749 1.00 62.32 H new ATOM 0 HB2 HIS A 4 -3.959 10.104 26.479 1.00 61.55 H new ATOM 0 HB3 HIS A 4 -4.138 11.193 25.118 1.00 61.55 H new ATOM 0 HD2 HIS A 4 -6.261 13.206 25.560 1.00 75.11 H new ATOM 0 HE1 HIS A 4 -5.945 12.892 29.772 1.00 32.32 H new ATOM 0 HE2 HIS A 4 -6.878 14.276 27.855 1.00 34.50 H new ATOM 63 N HIS A 5 -4.466 9.352 23.214 1.00 3.43 N ATOM 64 CA HIS A 5 -3.663 8.643 22.208 1.00 60.11 C ATOM 65 C HIS A 5 -2.930 9.705 21.367 1.00 15.24 C ATOM 66 O HIS A 5 -3.567 10.513 20.681 1.00 74.40 O ATOM 67 CB HIS A 5 -4.524 7.681 21.321 1.00 40.02 C ATOM 68 CG HIS A 5 -5.607 8.338 20.502 1.00 72.32 C ATOM 69 ND1 HIS A 5 -5.637 8.311 19.122 1.00 30.53 N ATOM 70 CD2 HIS A 5 -6.708 9.034 20.876 1.00 2.22 C ATOM 71 CE1 HIS A 5 -6.697 8.961 18.695 1.00 72.30 C ATOM 72 NE2 HIS A 5 -7.364 9.408 19.735 1.00 14.21 N ATOM 0 H HIS A 5 -4.566 10.348 23.016 1.00 3.43 H new ATOM 0 HA HIS A 5 -2.942 7.994 22.705 1.00 60.11 H new ATOM 0 HB2 HIS A 5 -3.857 7.146 20.645 1.00 40.02 H new ATOM 0 HB3 HIS A 5 -4.986 6.936 21.969 1.00 40.02 H new ATOM 0 HD2 HIS A 5 -7.012 9.253 21.889 1.00 2.22 H new ATOM 0 HE1 HIS A 5 -6.974 9.104 17.661 1.00 72.30 H new ATOM 0 HE2 HIS A 5 -8.230 9.946 19.698 1.00 14.21 H new ATOM 81 N HIS A 6 -1.599 9.753 21.491 1.00 72.05 N ATOM 82 CA HIS A 6 -0.748 10.729 20.781 1.00 64.35 C ATOM 83 C HIS A 6 0.245 9.972 19.890 1.00 61.25 C ATOM 84 O HIS A 6 0.809 8.954 20.320 1.00 23.43 O ATOM 85 CB HIS A 6 -0.001 11.627 21.809 1.00 73.13 C ATOM 86 CG HIS A 6 0.843 12.734 21.206 1.00 32.45 C ATOM 87 ND1 HIS A 6 2.225 12.727 21.213 1.00 3.32 N ATOM 88 CD2 HIS A 6 0.490 13.903 20.610 1.00 43.54 C ATOM 89 CE1 HIS A 6 2.678 13.835 20.658 1.00 2.33 C ATOM 90 NE2 HIS A 6 1.648 14.562 20.284 1.00 3.13 N ATOM 0 H HIS A 6 -1.074 9.115 22.089 1.00 72.05 H new ATOM 0 HA HIS A 6 -1.364 11.374 20.155 1.00 64.35 H new ATOM 0 HB2 HIS A 6 -0.736 12.075 22.477 1.00 73.13 H new ATOM 0 HB3 HIS A 6 0.642 10.994 22.421 1.00 73.13 H new ATOM 0 HD2 HIS A 6 -0.516 14.249 20.427 1.00 43.54 H new ATOM 0 HE1 HIS A 6 3.717 14.100 20.532 1.00 2.33 H new ATOM 0 HE2 HIS A 6 1.702 15.471 19.825 1.00 3.13 H new ATOM 99 N HIS A 7 0.439 10.460 18.651 1.00 44.44 N ATOM 100 CA HIS A 7 1.402 9.874 17.704 1.00 72.34 C ATOM 101 C HIS A 7 2.844 10.037 18.226 1.00 25.32 C ATOM 102 O HIS A 7 3.169 11.032 18.884 1.00 44.53 O ATOM 103 CB HIS A 7 1.256 10.515 16.303 1.00 23.55 C ATOM 104 CG HIS A 7 -0.086 10.299 15.661 1.00 0.34 C ATOM 105 ND1 HIS A 7 -0.969 11.321 15.389 1.00 65.24 N ATOM 106 CD2 HIS A 7 -0.682 9.172 15.217 1.00 75.41 C ATOM 107 CE1 HIS A 7 -2.042 10.832 14.815 1.00 30.12 C ATOM 108 NE2 HIS A 7 -1.893 9.530 14.694 1.00 22.31 N ATOM 0 H HIS A 7 -0.064 11.266 18.281 1.00 44.44 H new ATOM 0 HA HIS A 7 1.186 8.809 17.615 1.00 72.34 H new ATOM 0 HB2 HIS A 7 1.438 11.587 16.386 1.00 23.55 H new ATOM 0 HB3 HIS A 7 2.028 10.110 15.649 1.00 23.55 H new ATOM 0 HD2 HIS A 7 -0.277 8.172 15.266 1.00 75.41 H new ATOM 0 HE1 HIS A 7 -2.902 11.401 14.496 1.00 30.12 H new ATOM 0 HE2 HIS A 7 -2.571 8.892 14.278 1.00 22.31 H new ATOM 117 N HIS A 8 3.681 9.042 17.922 1.00 30.43 N ATOM 118 CA HIS A 8 5.071 8.956 18.375 1.00 52.24 C ATOM 119 C HIS A 8 5.855 8.152 17.324 1.00 2.04 C ATOM 120 O HIS A 8 6.442 7.096 17.606 1.00 0.31 O ATOM 121 CB HIS A 8 5.145 8.346 19.806 1.00 70.33 C ATOM 122 CG HIS A 8 4.532 6.972 19.967 1.00 74.43 C ATOM 123 ND1 HIS A 8 5.287 5.826 20.034 1.00 31.21 N ATOM 124 CD2 HIS A 8 3.241 6.567 20.089 1.00 1.42 C ATOM 125 CE1 HIS A 8 4.503 4.785 20.187 1.00 3.52 C ATOM 126 NE2 HIS A 8 3.255 5.201 20.224 1.00 2.33 N ATOM 0 H HIS A 8 3.403 8.253 17.338 1.00 30.43 H new ATOM 0 HA HIS A 8 5.523 9.944 18.460 1.00 52.24 H new ATOM 0 HB2 HIS A 8 6.192 8.294 20.105 1.00 70.33 H new ATOM 0 HB3 HIS A 8 4.650 9.028 20.497 1.00 70.33 H new ATOM 0 HD2 HIS A 8 2.367 7.201 20.081 1.00 1.42 H new ATOM 0 HE1 HIS A 8 4.828 3.758 20.269 1.00 3.52 H new ATOM 0 HE2 HIS A 8 2.434 4.606 20.335 1.00 2.33 H new ATOM 135 N GLU A 9 5.820 8.698 16.094 1.00 22.22 N ATOM 136 CA GLU A 9 6.334 8.063 14.867 1.00 65.34 C ATOM 137 C GLU A 9 7.820 7.657 14.964 1.00 74.12 C ATOM 138 O GLU A 9 8.618 8.300 15.653 1.00 43.22 O ATOM 139 CB GLU A 9 6.144 9.004 13.631 1.00 25.33 C ATOM 140 CG GLU A 9 6.917 10.354 13.658 1.00 71.22 C ATOM 141 CD GLU A 9 6.268 11.450 14.542 1.00 62.24 C ATOM 142 OE1 GLU A 9 5.486 12.260 14.017 1.00 34.24 O ATOM 143 OE2 GLU A 9 6.541 11.510 15.759 1.00 13.11 O ATOM 0 H GLU A 9 5.421 9.621 15.922 1.00 22.22 H new ATOM 0 HA GLU A 9 5.750 7.151 14.742 1.00 65.34 H new ATOM 0 HB2 GLU A 9 6.444 8.457 12.737 1.00 25.33 H new ATOM 0 HB3 GLU A 9 5.081 9.222 13.529 1.00 25.33 H new ATOM 0 HG2 GLU A 9 7.931 10.171 14.015 1.00 71.22 H new ATOM 0 HG3 GLU A 9 7.001 10.730 12.638 1.00 71.22 H new ATOM 150 N ASN A 10 8.165 6.570 14.257 1.00 21.11 N ATOM 151 CA ASN A 10 9.554 6.140 14.048 1.00 52.53 C ATOM 152 C ASN A 10 9.859 6.254 12.550 1.00 2.12 C ATOM 153 O ASN A 10 9.593 5.328 11.764 1.00 51.12 O ATOM 154 CB ASN A 10 9.787 4.700 14.580 1.00 50.12 C ATOM 155 CG ASN A 10 9.527 4.591 16.084 1.00 53.15 C ATOM 156 OD1 ASN A 10 8.420 4.253 16.516 1.00 61.41 O ATOM 157 ND2 ASN A 10 10.529 4.911 16.891 1.00 33.15 N ATOM 0 H ASN A 10 7.480 5.960 13.811 1.00 21.11 H new ATOM 0 HA ASN A 10 10.235 6.779 14.610 1.00 52.53 H new ATOM 0 HB2 ASN A 10 9.133 4.008 14.049 1.00 50.12 H new ATOM 0 HB3 ASN A 10 10.812 4.397 14.367 1.00 50.12 H new ATOM 0 HD21 ASN A 10 10.398 4.882 17.902 1.00 33.15 H new ATOM 0 HD22 ASN A 10 11.430 5.186 16.501 1.00 33.15 H new ATOM 164 N LEU A 11 10.346 7.447 12.162 1.00 2.53 N ATOM 165 CA LEU A 11 10.694 7.774 10.770 1.00 41.32 C ATOM 166 C LEU A 11 11.982 7.056 10.347 1.00 23.12 C ATOM 167 O LEU A 11 12.726 6.541 11.196 1.00 13.21 O ATOM 168 CB LEU A 11 10.807 9.334 10.597 1.00 44.15 C ATOM 169 CG LEU A 11 11.743 10.126 11.600 1.00 24.55 C ATOM 170 CD1 LEU A 11 13.257 9.961 11.301 1.00 64.23 C ATOM 171 CD2 LEU A 11 11.359 11.622 11.650 1.00 61.50 C ATOM 0 H LEU A 11 10.510 8.216 12.812 1.00 2.53 H new ATOM 0 HA LEU A 11 9.901 7.420 10.112 1.00 41.32 H new ATOM 0 HB2 LEU A 11 11.158 9.533 9.584 1.00 44.15 H new ATOM 0 HB3 LEU A 11 9.804 9.753 10.675 1.00 44.15 H new ATOM 0 HG LEU A 11 11.575 9.679 12.580 1.00 24.55 H new ATOM 0 HD11 LEU A 11 13.836 10.531 12.028 1.00 64.23 H new ATOM 0 HD12 LEU A 11 13.528 8.907 11.367 1.00 64.23 H new ATOM 0 HD13 LEU A 11 13.472 10.329 10.298 1.00 64.23 H new ATOM 0 HD21 LEU A 11 12.016 12.143 12.346 1.00 61.50 H new ATOM 0 HD22 LEU A 11 11.463 12.058 10.656 1.00 61.50 H new ATOM 0 HD23 LEU A 11 10.326 11.722 11.983 1.00 61.50 H new ATOM 183 N TYR A 12 12.226 7.008 9.034 1.00 73.45 N ATOM 184 CA TYR A 12 13.493 6.530 8.469 1.00 65.20 C ATOM 185 C TYR A 12 14.307 7.743 8.018 1.00 24.24 C ATOM 186 O TYR A 12 13.894 8.469 7.105 1.00 63.01 O ATOM 187 CB TYR A 12 13.241 5.547 7.290 1.00 31.23 C ATOM 188 CG TYR A 12 12.518 4.258 7.714 1.00 61.41 C ATOM 189 CD1 TYR A 12 11.122 4.184 7.733 1.00 14.12 C ATOM 190 CD2 TYR A 12 13.228 3.126 8.129 1.00 43.04 C ATOM 191 CE1 TYR A 12 10.469 3.036 8.143 1.00 64.22 C ATOM 192 CE2 TYR A 12 12.569 1.982 8.545 1.00 74.42 C ATOM 193 CZ TYR A 12 11.195 1.946 8.548 1.00 51.30 C ATOM 194 OH TYR A 12 10.540 0.813 8.977 1.00 20.35 O ATOM 0 H TYR A 12 11.548 7.300 8.330 1.00 73.45 H new ATOM 0 HA TYR A 12 14.051 5.978 9.225 1.00 65.20 H new ATOM 0 HB2 TYR A 12 12.650 6.052 6.526 1.00 31.23 H new ATOM 0 HB3 TYR A 12 14.196 5.286 6.834 1.00 31.23 H new ATOM 0 HD1 TYR A 12 10.542 5.040 7.421 1.00 14.12 H new ATOM 0 HD2 TYR A 12 14.308 3.145 8.125 1.00 43.04 H new ATOM 0 HE1 TYR A 12 9.390 2.998 8.144 1.00 64.22 H new ATOM 0 HE2 TYR A 12 13.133 1.119 8.867 1.00 74.42 H new ATOM 0 HH TYR A 12 9.691 1.065 9.396 1.00 20.35 H new ATOM 204 N PHE A 13 15.405 8.004 8.740 1.00 71.31 N ATOM 205 CA PHE A 13 16.414 8.992 8.341 1.00 33.13 C ATOM 206 C PHE A 13 17.177 8.464 7.113 1.00 44.23 C ATOM 207 O PHE A 13 17.328 9.161 6.107 1.00 72.12 O ATOM 208 CB PHE A 13 17.391 9.272 9.519 1.00 64.12 C ATOM 209 CG PHE A 13 18.538 10.228 9.175 1.00 23.12 C ATOM 210 CD1 PHE A 13 18.296 11.588 8.971 1.00 11.55 C ATOM 211 CD2 PHE A 13 19.851 9.765 9.031 1.00 54.13 C ATOM 212 CE1 PHE A 13 19.328 12.452 8.644 1.00 14.21 C ATOM 213 CE2 PHE A 13 20.880 10.631 8.708 1.00 52.13 C ATOM 214 CZ PHE A 13 20.617 11.971 8.508 1.00 1.15 C ATOM 0 H PHE A 13 15.618 7.534 9.620 1.00 71.31 H new ATOM 0 HA PHE A 13 15.925 9.931 8.082 1.00 33.13 H new ATOM 0 HB2 PHE A 13 16.826 9.687 10.353 1.00 64.12 H new ATOM 0 HB3 PHE A 13 17.812 8.326 9.859 1.00 64.12 H new ATOM 0 HD1 PHE A 13 17.291 11.971 9.069 1.00 11.55 H new ATOM 0 HD2 PHE A 13 20.064 8.716 9.174 1.00 54.13 H new ATOM 0 HE1 PHE A 13 19.126 13.502 8.495 1.00 14.21 H new ATOM 0 HE2 PHE A 13 21.889 10.259 8.612 1.00 52.13 H new ATOM 0 HZ PHE A 13 21.419 12.645 8.245 1.00 1.15 H new ATOM 224 N GLN A 14 17.624 7.205 7.221 1.00 33.23 N ATOM 225 CA GLN A 14 18.419 6.521 6.196 1.00 1.25 C ATOM 226 C GLN A 14 17.656 5.265 5.730 1.00 35.12 C ATOM 227 O GLN A 14 17.508 4.300 6.492 1.00 31.34 O ATOM 228 CB GLN A 14 19.810 6.162 6.791 1.00 42.22 C ATOM 229 CG GLN A 14 20.827 5.594 5.787 1.00 43.35 C ATOM 230 CD GLN A 14 22.173 5.250 6.437 1.00 1.01 C ATOM 231 OE1 GLN A 14 22.400 4.119 6.877 1.00 61.52 O ATOM 232 NE2 GLN A 14 23.066 6.227 6.521 1.00 72.31 N ATOM 0 H GLN A 14 17.439 6.624 8.039 1.00 33.23 H new ATOM 0 HA GLN A 14 18.577 7.164 5.330 1.00 1.25 H new ATOM 0 HB2 GLN A 14 20.234 7.057 7.246 1.00 42.22 H new ATOM 0 HB3 GLN A 14 19.668 5.435 7.590 1.00 42.22 H new ATOM 0 HG2 GLN A 14 20.413 4.698 5.324 1.00 43.35 H new ATOM 0 HG3 GLN A 14 20.988 6.320 4.990 1.00 43.35 H new ATOM 0 HE21 GLN A 14 22.848 7.151 6.148 1.00 72.31 H new ATOM 0 HE22 GLN A 14 23.971 6.055 6.959 1.00 72.31 H new ATOM 241 N SER A 15 17.135 5.316 4.496 1.00 40.20 N ATOM 242 CA SER A 15 16.367 4.218 3.890 1.00 53.53 C ATOM 243 C SER A 15 17.294 3.027 3.549 1.00 61.02 C ATOM 244 O SER A 15 18.291 3.193 2.835 1.00 62.51 O ATOM 245 CB SER A 15 15.639 4.736 2.629 1.00 23.22 C ATOM 246 OG SER A 15 14.808 5.846 2.948 1.00 52.22 O ATOM 0 H SER A 15 17.235 6.127 3.885 1.00 40.20 H new ATOM 0 HA SER A 15 15.624 3.861 4.603 1.00 53.53 H new ATOM 0 HB2 SER A 15 16.370 5.028 1.875 1.00 23.22 H new ATOM 0 HB3 SER A 15 15.037 3.937 2.197 1.00 23.22 H new ATOM 0 HG SER A 15 14.357 6.161 2.137 1.00 52.22 H new ATOM 252 N HIS A 16 16.955 1.840 4.077 1.00 51.13 N ATOM 253 CA HIS A 16 17.778 0.614 3.935 1.00 33.20 C ATOM 254 C HIS A 16 16.865 -0.626 3.834 1.00 62.34 C ATOM 255 O HIS A 16 17.229 -1.633 3.222 1.00 30.52 O ATOM 256 CB HIS A 16 18.745 0.493 5.151 1.00 64.31 C ATOM 257 CG HIS A 16 19.724 -0.661 5.091 1.00 74.15 C ATOM 258 ND1 HIS A 16 19.378 -1.967 5.375 1.00 75.45 N ATOM 259 CD2 HIS A 16 21.043 -0.698 4.779 1.00 74.10 C ATOM 260 CE1 HIS A 16 20.432 -2.745 5.237 1.00 75.15 C ATOM 261 NE2 HIS A 16 21.453 -2.003 4.876 1.00 60.12 N ATOM 0 H HIS A 16 16.102 1.696 4.617 1.00 51.13 H new ATOM 0 HA HIS A 16 18.370 0.676 3.022 1.00 33.20 H new ATOM 0 HB2 HIS A 16 19.309 1.422 5.239 1.00 64.31 H new ATOM 0 HB3 HIS A 16 18.149 0.395 6.059 1.00 64.31 H new ATOM 0 HD2 HIS A 16 21.658 0.146 4.504 1.00 74.10 H new ATOM 0 HE1 HIS A 16 20.453 -3.813 5.394 1.00 75.15 H new ATOM 0 HE2 HIS A 16 22.398 -2.342 4.697 1.00 60.12 H new ATOM 270 N MET A 17 15.664 -0.521 4.431 1.00 53.03 N ATOM 271 CA MET A 17 14.688 -1.625 4.534 1.00 73.25 C ATOM 272 C MET A 17 13.715 -1.581 3.328 1.00 54.12 C ATOM 273 O MET A 17 12.488 -1.513 3.503 1.00 52.21 O ATOM 274 CB MET A 17 13.918 -1.490 5.886 1.00 0.21 C ATOM 275 CG MET A 17 14.808 -1.389 7.123 1.00 1.41 C ATOM 276 SD MET A 17 13.868 -1.167 8.650 1.00 33.02 S ATOM 277 CE MET A 17 15.182 -0.844 9.830 1.00 74.15 C ATOM 0 H MET A 17 15.338 0.344 4.862 1.00 53.03 H new ATOM 0 HA MET A 17 15.201 -2.587 4.514 1.00 73.25 H new ATOM 0 HB2 MET A 17 13.283 -0.605 5.839 1.00 0.21 H new ATOM 0 HB3 MET A 17 13.258 -2.350 6.000 1.00 0.21 H new ATOM 0 HG2 MET A 17 15.414 -2.292 7.203 1.00 1.41 H new ATOM 0 HG3 MET A 17 15.497 -0.553 7.002 1.00 1.41 H new ATOM 0 HE1 MET A 17 14.752 -0.687 10.819 1.00 74.15 H new ATOM 0 HE2 MET A 17 15.861 -1.696 9.861 1.00 74.15 H new ATOM 0 HE3 MET A 17 15.732 0.047 9.528 1.00 74.15 H new ATOM 287 N THR A 18 14.305 -1.603 2.105 1.00 14.04 N ATOM 288 CA THR A 18 13.619 -1.424 0.793 1.00 63.23 C ATOM 289 C THR A 18 12.592 -0.248 0.777 1.00 52.22 C ATOM 290 O THR A 18 11.675 -0.199 -0.061 1.00 0.44 O ATOM 291 CB THR A 18 13.014 -2.777 0.232 1.00 20.44 C ATOM 292 OG1 THR A 18 12.595 -2.596 -1.128 1.00 63.33 O ATOM 293 CG2 THR A 18 11.824 -3.319 1.045 1.00 4.51 C ATOM 0 H THR A 18 15.309 -1.751 1.999 1.00 14.04 H new ATOM 0 HA THR A 18 14.402 -1.126 0.096 1.00 63.23 H new ATOM 0 HB THR A 18 13.814 -3.513 0.309 1.00 20.44 H new ATOM 0 HG1 THR A 18 12.049 -1.785 -1.197 1.00 63.33 H new ATOM 0 HG21 THR A 18 11.469 -4.246 0.596 1.00 4.51 H new ATOM 0 HG22 THR A 18 12.141 -3.511 2.070 1.00 4.51 H new ATOM 0 HG23 THR A 18 11.019 -2.584 1.046 1.00 4.51 H new ATOM 301 N ASP A 19 12.851 0.767 1.644 1.00 63.33 N ATOM 302 CA ASP A 19 11.995 1.972 1.801 1.00 25.33 C ATOM 303 C ASP A 19 11.963 2.818 0.512 1.00 25.41 C ATOM 304 O ASP A 19 11.130 3.708 0.380 1.00 51.01 O ATOM 305 CB ASP A 19 12.483 2.858 2.984 1.00 45.43 C ATOM 306 CG ASP A 19 12.636 2.103 4.314 1.00 2.24 C ATOM 307 OD1 ASP A 19 13.793 1.837 4.737 1.00 20.42 O ATOM 308 OD2 ASP A 19 11.603 1.771 4.929 1.00 43.41 O ATOM 0 H ASP A 19 13.666 0.771 2.258 1.00 63.33 H new ATOM 0 HA ASP A 19 10.987 1.615 2.012 1.00 25.33 H new ATOM 0 HB2 ASP A 19 13.442 3.303 2.719 1.00 45.43 H new ATOM 0 HB3 ASP A 19 11.779 3.678 3.124 1.00 45.43 H new ATOM 313 N GLU A 20 12.894 2.529 -0.417 1.00 2.55 N ATOM 314 CA GLU A 20 12.970 3.182 -1.726 1.00 20.13 C ATOM 315 C GLU A 20 11.660 2.985 -2.520 1.00 4.24 C ATOM 316 O GLU A 20 11.092 3.953 -3.020 1.00 12.22 O ATOM 317 CB GLU A 20 14.183 2.627 -2.511 1.00 74.13 C ATOM 318 CG GLU A 20 14.459 3.331 -3.854 1.00 44.10 C ATOM 319 CD GLU A 20 14.827 4.817 -3.690 1.00 12.21 C ATOM 320 OE1 GLU A 20 14.004 5.695 -4.022 1.00 53.53 O ATOM 321 OE2 GLU A 20 15.945 5.102 -3.208 1.00 53.25 O ATOM 0 H GLU A 20 13.620 1.827 -0.272 1.00 2.55 H new ATOM 0 HA GLU A 20 13.104 4.254 -1.579 1.00 20.13 H new ATOM 0 HB2 GLU A 20 15.071 2.708 -1.885 1.00 74.13 H new ATOM 0 HB3 GLU A 20 14.022 1.566 -2.699 1.00 74.13 H new ATOM 0 HG2 GLU A 20 15.271 2.816 -4.368 1.00 44.10 H new ATOM 0 HG3 GLU A 20 13.577 3.249 -4.489 1.00 44.10 H new ATOM 328 N LEU A 21 11.195 1.722 -2.604 1.00 31.52 N ATOM 329 CA LEU A 21 9.900 1.374 -3.231 1.00 34.11 C ATOM 330 C LEU A 21 8.730 1.871 -2.364 1.00 71.21 C ATOM 331 O LEU A 21 7.844 2.587 -2.835 1.00 60.01 O ATOM 332 CB LEU A 21 9.779 -0.173 -3.406 1.00 33.41 C ATOM 333 CG LEU A 21 8.394 -0.709 -3.930 1.00 43.42 C ATOM 334 CD1 LEU A 21 8.164 -0.360 -5.415 1.00 72.05 C ATOM 335 CD2 LEU A 21 8.230 -2.222 -3.665 1.00 33.23 C ATOM 0 H LEU A 21 11.703 0.916 -2.241 1.00 31.52 H new ATOM 0 HA LEU A 21 9.859 1.857 -4.207 1.00 34.11 H new ATOM 0 HB2 LEU A 21 10.556 -0.501 -4.096 1.00 33.41 H new ATOM 0 HB3 LEU A 21 9.987 -0.643 -2.445 1.00 33.41 H new ATOM 0 HG LEU A 21 7.619 -0.196 -3.361 1.00 43.42 H new ATOM 0 HD11 LEU A 21 7.197 -0.749 -5.735 1.00 72.05 H new ATOM 0 HD12 LEU A 21 8.179 0.723 -5.541 1.00 72.05 H new ATOM 0 HD13 LEU A 21 8.953 -0.807 -6.020 1.00 72.05 H new ATOM 0 HD21 LEU A 21 7.262 -2.554 -4.041 1.00 33.23 H new ATOM 0 HD22 LEU A 21 9.024 -2.769 -4.174 1.00 33.23 H new ATOM 0 HD23 LEU A 21 8.288 -2.412 -2.593 1.00 33.23 H new ATOM 347 N LEU A 22 8.786 1.495 -1.081 1.00 31.53 N ATOM 348 CA LEU A 22 7.651 1.571 -0.145 1.00 42.44 C ATOM 349 C LEU A 22 7.178 3.020 0.101 1.00 52.05 C ATOM 350 O LEU A 22 5.975 3.319 0.070 1.00 44.33 O ATOM 351 CB LEU A 22 8.071 0.922 1.194 1.00 24.23 C ATOM 352 CG LEU A 22 8.634 -0.529 1.116 1.00 50.05 C ATOM 353 CD1 LEU A 22 9.127 -0.988 2.503 1.00 1.51 C ATOM 354 CD2 LEU A 22 7.606 -1.515 0.510 1.00 62.25 C ATOM 0 H LEU A 22 9.634 1.123 -0.654 1.00 31.53 H new ATOM 0 HA LEU A 22 6.811 1.038 -0.590 1.00 42.44 H new ATOM 0 HB2 LEU A 22 8.826 1.556 1.659 1.00 24.23 H new ATOM 0 HB3 LEU A 22 7.206 0.917 1.857 1.00 24.23 H new ATOM 0 HG LEU A 22 9.489 -0.525 0.440 1.00 50.05 H new ATOM 0 HD11 LEU A 22 9.517 -2.003 2.433 1.00 1.51 H new ATOM 0 HD12 LEU A 22 9.915 -0.319 2.849 1.00 1.51 H new ATOM 0 HD13 LEU A 22 8.297 -0.966 3.210 1.00 1.51 H new ATOM 0 HD21 LEU A 22 8.039 -2.515 0.474 1.00 62.25 H new ATOM 0 HD22 LEU A 22 6.708 -1.530 1.128 1.00 62.25 H new ATOM 0 HD23 LEU A 22 7.346 -1.195 -0.499 1.00 62.25 H new ATOM 366 N GLU A 23 8.144 3.920 0.321 1.00 41.32 N ATOM 367 CA GLU A 23 7.862 5.303 0.734 1.00 61.13 C ATOM 368 C GLU A 23 7.269 6.128 -0.438 1.00 43.03 C ATOM 369 O GLU A 23 6.674 7.181 -0.208 1.00 73.25 O ATOM 370 CB GLU A 23 9.140 5.967 1.346 1.00 43.44 C ATOM 371 CG GLU A 23 8.874 6.995 2.478 1.00 2.02 C ATOM 372 CD GLU A 23 8.537 6.364 3.856 1.00 51.41 C ATOM 373 OE1 GLU A 23 7.611 5.520 3.953 1.00 4.13 O ATOM 374 OE2 GLU A 23 9.163 6.750 4.875 1.00 73.30 O ATOM 0 H GLU A 23 9.138 3.714 0.219 1.00 41.32 H new ATOM 0 HA GLU A 23 7.103 5.284 1.516 1.00 61.13 H new ATOM 0 HB2 GLU A 23 9.787 5.181 1.736 1.00 43.44 H new ATOM 0 HB3 GLU A 23 9.689 6.465 0.547 1.00 43.44 H new ATOM 0 HG2 GLU A 23 9.753 7.630 2.589 1.00 2.02 H new ATOM 0 HG3 GLU A 23 8.050 7.642 2.178 1.00 2.02 H new ATOM 381 N ARG A 24 7.436 5.628 -1.696 1.00 31.43 N ATOM 382 CA ARG A 24 6.726 6.174 -2.886 1.00 5.14 C ATOM 383 C ARG A 24 5.208 6.002 -2.703 1.00 55.14 C ATOM 384 O ARG A 24 4.411 6.887 -3.035 1.00 22.40 O ATOM 385 CB ARG A 24 7.142 5.444 -4.196 1.00 55.14 C ATOM 386 CG ARG A 24 8.656 5.366 -4.458 1.00 41.21 C ATOM 387 CD ARG A 24 8.998 4.600 -5.756 1.00 34.12 C ATOM 388 NE ARG A 24 10.420 4.209 -5.830 1.00 55.33 N ATOM 389 CZ ARG A 24 11.424 4.946 -6.327 1.00 31.52 C ATOM 390 NH1 ARG A 24 11.220 6.157 -6.833 1.00 61.31 N ATOM 391 NH2 ARG A 24 12.639 4.435 -6.349 1.00 22.24 N ATOM 0 H ARG A 24 8.057 4.847 -1.910 1.00 31.43 H new ATOM 0 HA ARG A 24 6.996 7.227 -2.971 1.00 5.14 H new ATOM 0 HB2 ARG A 24 6.743 4.430 -4.169 1.00 55.14 H new ATOM 0 HB3 ARG A 24 6.671 5.950 -5.039 1.00 55.14 H new ATOM 0 HG2 ARG A 24 9.063 6.376 -4.519 1.00 41.21 H new ATOM 0 HG3 ARG A 24 9.142 4.877 -3.614 1.00 41.21 H new ATOM 0 HD2 ARG A 24 8.376 3.707 -5.820 1.00 34.12 H new ATOM 0 HD3 ARG A 24 8.752 5.223 -6.616 1.00 34.12 H new ATOM 0 HE ARG A 24 10.663 3.287 -5.467 1.00 55.33 H new ATOM 0 HH11 ARG A 24 10.279 6.550 -6.851 1.00 61.31 H new ATOM 0 HH12 ARG A 24 12.004 6.694 -7.204 1.00 61.31 H new ATOM 0 HH21 ARG A 24 12.803 3.494 -5.992 1.00 22.24 H new ATOM 0 HH22 ARG A 24 13.415 4.981 -6.723 1.00 22.24 H new ATOM 405 N LEU A 25 4.838 4.824 -2.159 1.00 4.10 N ATOM 406 CA LEU A 25 3.446 4.470 -1.862 1.00 14.15 C ATOM 407 C LEU A 25 2.954 5.291 -0.662 1.00 10.25 C ATOM 408 O LEU A 25 1.768 5.591 -0.581 1.00 44.53 O ATOM 409 CB LEU A 25 3.283 2.941 -1.591 1.00 35.14 C ATOM 410 CG LEU A 25 3.386 1.972 -2.824 1.00 42.21 C ATOM 411 CD1 LEU A 25 4.762 2.027 -3.516 1.00 11.31 C ATOM 412 CD2 LEU A 25 3.037 0.531 -2.402 1.00 44.44 C ATOM 0 H LEU A 25 5.505 4.092 -1.914 1.00 4.10 H new ATOM 0 HA LEU A 25 2.838 4.706 -2.735 1.00 14.15 H new ATOM 0 HB2 LEU A 25 4.041 2.645 -0.866 1.00 35.14 H new ATOM 0 HB3 LEU A 25 2.313 2.784 -1.120 1.00 35.14 H new ATOM 0 HG LEU A 25 2.659 2.314 -3.561 1.00 42.21 H new ATOM 0 HD11 LEU A 25 4.773 1.337 -4.360 1.00 11.31 H new ATOM 0 HD12 LEU A 25 4.949 3.040 -3.873 1.00 11.31 H new ATOM 0 HD13 LEU A 25 5.538 1.743 -2.805 1.00 11.31 H new ATOM 0 HD21 LEU A 25 3.112 -0.129 -3.266 1.00 44.44 H new ATOM 0 HD22 LEU A 25 3.732 0.200 -1.630 1.00 44.44 H new ATOM 0 HD23 LEU A 25 2.020 0.503 -2.011 1.00 44.44 H new ATOM 424 N ARG A 26 3.881 5.656 0.266 1.00 33.44 N ATOM 425 CA ARG A 26 3.553 6.584 1.376 1.00 33.03 C ATOM 426 C ARG A 26 3.077 7.926 0.819 1.00 11.33 C ATOM 427 O ARG A 26 2.072 8.443 1.274 1.00 34.45 O ATOM 428 CB ARG A 26 4.751 6.857 2.329 1.00 55.01 C ATOM 429 CG ARG A 26 4.337 7.501 3.679 1.00 15.12 C ATOM 430 CD ARG A 26 5.485 8.213 4.413 1.00 24.34 C ATOM 431 NE ARG A 26 5.829 9.487 3.773 1.00 70.03 N ATOM 432 CZ ARG A 26 6.999 10.124 3.862 1.00 1.45 C ATOM 433 NH1 ARG A 26 8.021 9.614 4.556 1.00 31.44 N ATOM 434 NH2 ARG A 26 7.122 11.310 3.278 1.00 35.24 N ATOM 0 H ARG A 26 4.846 5.326 0.266 1.00 33.44 H new ATOM 0 HA ARG A 26 2.769 6.091 1.952 1.00 33.03 H new ATOM 0 HB2 ARG A 26 5.268 5.918 2.527 1.00 55.01 H new ATOM 0 HB3 ARG A 26 5.462 7.512 1.826 1.00 55.01 H new ATOM 0 HG2 ARG A 26 3.537 8.218 3.497 1.00 15.12 H new ATOM 0 HG3 ARG A 26 3.930 6.727 4.329 1.00 15.12 H new ATOM 0 HD2 ARG A 26 5.199 8.392 5.450 1.00 24.34 H new ATOM 0 HD3 ARG A 26 6.362 7.566 4.431 1.00 24.34 H new ATOM 0 HE ARG A 26 5.105 9.929 3.206 1.00 70.03 H new ATOM 0 HH11 ARG A 26 7.917 8.718 5.033 1.00 31.44 H new ATOM 0 HH12 ARG A 26 8.905 10.120 4.609 1.00 31.44 H new ATOM 0 HH21 ARG A 26 6.332 11.715 2.775 1.00 35.24 H new ATOM 0 HH22 ARG A 26 8.006 11.816 3.332 1.00 35.24 H new ATOM 448 N GLN A 27 3.807 8.459 -0.191 1.00 4.43 N ATOM 449 CA GLN A 27 3.467 9.758 -0.828 1.00 70.13 C ATOM 450 C GLN A 27 2.055 9.707 -1.461 1.00 42.50 C ATOM 451 O GLN A 27 1.358 10.726 -1.532 1.00 32.13 O ATOM 452 CB GLN A 27 4.508 10.151 -1.914 1.00 51.44 C ATOM 453 CG GLN A 27 5.987 9.987 -1.510 1.00 65.51 C ATOM 454 CD GLN A 27 6.448 10.863 -0.344 1.00 23.33 C ATOM 455 OE1 GLN A 27 5.996 11.996 -0.169 1.00 30.35 O ATOM 456 NE2 GLN A 27 7.364 10.342 0.459 1.00 44.22 N ATOM 0 H GLN A 27 4.635 8.010 -0.583 1.00 4.43 H new ATOM 0 HA GLN A 27 3.483 10.514 -0.043 1.00 70.13 H new ATOM 0 HB2 GLN A 27 4.324 9.548 -2.803 1.00 51.44 H new ATOM 0 HB3 GLN A 27 4.340 11.191 -2.194 1.00 51.44 H new ATOM 0 HG2 GLN A 27 6.162 8.943 -1.250 1.00 65.51 H new ATOM 0 HG3 GLN A 27 6.610 10.208 -2.377 1.00 65.51 H new ATOM 0 HE21 GLN A 27 7.718 9.401 0.286 1.00 44.22 H new ATOM 0 HE22 GLN A 27 7.716 10.882 1.250 1.00 44.22 H new ATOM 465 N LEU A 28 1.658 8.498 -1.923 1.00 11.54 N ATOM 466 CA LEU A 28 0.301 8.238 -2.440 1.00 24.34 C ATOM 467 C LEU A 28 -0.716 8.209 -1.290 1.00 70.23 C ATOM 468 O LEU A 28 -1.788 8.789 -1.402 1.00 34.32 O ATOM 469 CB LEU A 28 0.243 6.905 -3.236 1.00 44.21 C ATOM 470 CG LEU A 28 -1.132 6.572 -3.910 1.00 35.03 C ATOM 471 CD1 LEU A 28 -1.588 7.697 -4.866 1.00 52.01 C ATOM 472 CD2 LEU A 28 -1.079 5.215 -4.636 1.00 22.34 C ATOM 0 H LEU A 28 2.269 7.681 -1.946 1.00 11.54 H new ATOM 0 HA LEU A 28 0.046 9.050 -3.121 1.00 24.34 H new ATOM 0 HB2 LEU A 28 1.009 6.933 -4.011 1.00 44.21 H new ATOM 0 HB3 LEU A 28 0.502 6.089 -2.561 1.00 44.21 H new ATOM 0 HG LEU A 28 -1.875 6.501 -3.115 1.00 35.03 H new ATOM 0 HD11 LEU A 28 -2.545 7.429 -5.313 1.00 52.01 H new ATOM 0 HD12 LEU A 28 -1.696 8.627 -4.308 1.00 52.01 H new ATOM 0 HD13 LEU A 28 -0.845 7.830 -5.652 1.00 52.01 H new ATOM 0 HD21 LEU A 28 -2.046 5.010 -5.094 1.00 22.34 H new ATOM 0 HD22 LEU A 28 -0.311 5.245 -5.408 1.00 22.34 H new ATOM 0 HD23 LEU A 28 -0.842 4.428 -3.920 1.00 22.34 H new ATOM 484 N PHE A 29 -0.358 7.544 -0.181 1.00 23.22 N ATOM 485 CA PHE A 29 -1.224 7.450 1.015 1.00 13.33 C ATOM 486 C PHE A 29 -1.354 8.832 1.703 1.00 62.01 C ATOM 487 O PHE A 29 -2.304 9.069 2.442 1.00 14.13 O ATOM 488 CB PHE A 29 -0.671 6.417 2.032 1.00 71.11 C ATOM 489 CG PHE A 29 -0.445 4.986 1.536 1.00 21.15 C ATOM 490 CD1 PHE A 29 -1.194 4.435 0.499 1.00 2.33 C ATOM 491 CD2 PHE A 29 0.538 4.185 2.137 1.00 24.32 C ATOM 492 CE1 PHE A 29 -0.964 3.136 0.077 1.00 40.30 C ATOM 493 CE2 PHE A 29 0.762 2.890 1.714 1.00 44.31 C ATOM 494 CZ PHE A 29 0.012 2.365 0.685 1.00 24.04 C ATOM 0 H PHE A 29 0.533 7.058 -0.083 1.00 23.22 H new ATOM 0 HA PHE A 29 -2.207 7.118 0.681 1.00 13.33 H new ATOM 0 HB2 PHE A 29 0.278 6.795 2.412 1.00 71.11 H new ATOM 0 HB3 PHE A 29 -1.359 6.375 2.876 1.00 71.11 H new ATOM 0 HD1 PHE A 29 -1.961 5.026 0.020 1.00 2.33 H new ATOM 0 HD2 PHE A 29 1.130 4.589 2.945 1.00 24.32 H new ATOM 0 HE1 PHE A 29 -1.549 2.722 -0.731 1.00 40.30 H new ATOM 0 HE2 PHE A 29 1.524 2.290 2.189 1.00 44.31 H new ATOM 0 HZ PHE A 29 0.185 1.352 0.353 1.00 24.04 H new ATOM 504 N GLU A 30 -0.369 9.721 1.449 1.00 34.13 N ATOM 505 CA GLU A 30 -0.366 11.117 1.927 1.00 25.13 C ATOM 506 C GLU A 30 -1.254 11.968 1.013 1.00 22.30 C ATOM 507 O GLU A 30 -1.962 12.857 1.481 1.00 31.25 O ATOM 508 CB GLU A 30 1.078 11.690 1.988 1.00 64.43 C ATOM 509 CG GLU A 30 1.982 11.025 3.046 1.00 23.03 C ATOM 510 CD GLU A 30 3.370 11.674 3.147 1.00 34.25 C ATOM 511 OE1 GLU A 30 3.643 12.383 4.150 1.00 30.40 O ATOM 512 OE2 GLU A 30 4.193 11.486 2.221 1.00 73.13 O ATOM 0 H GLU A 30 0.456 9.484 0.899 1.00 34.13 H new ATOM 0 HA GLU A 30 -0.766 11.143 2.941 1.00 25.13 H new ATOM 0 HB2 GLU A 30 1.542 11.578 1.008 1.00 64.43 H new ATOM 0 HB3 GLU A 30 1.023 12.759 2.194 1.00 64.43 H new ATOM 0 HG2 GLU A 30 1.492 11.077 4.018 1.00 23.03 H new ATOM 0 HG3 GLU A 30 2.098 9.969 2.804 1.00 23.03 H new ATOM 519 N GLU A 31 -1.222 11.655 -0.293 1.00 62.44 N ATOM 520 CA GLU A 31 -2.143 12.234 -1.286 1.00 72.11 C ATOM 521 C GLU A 31 -3.604 11.851 -0.940 1.00 51.51 C ATOM 522 O GLU A 31 -4.535 12.623 -1.156 1.00 4.13 O ATOM 523 CB GLU A 31 -1.748 11.736 -2.707 1.00 73.45 C ATOM 524 CG GLU A 31 -2.553 12.353 -3.868 1.00 54.44 C ATOM 525 CD GLU A 31 -2.430 13.885 -3.943 1.00 61.32 C ATOM 526 OE1 GLU A 31 -1.354 14.387 -4.337 1.00 31.41 O ATOM 527 OE2 GLU A 31 -3.401 14.595 -3.604 1.00 23.13 O ATOM 0 H GLU A 31 -0.556 10.993 -0.691 1.00 62.44 H new ATOM 0 HA GLU A 31 -2.071 13.321 -1.269 1.00 72.11 H new ATOM 0 HB2 GLU A 31 -0.691 11.947 -2.867 1.00 73.45 H new ATOM 0 HB3 GLU A 31 -1.866 10.653 -2.740 1.00 73.45 H new ATOM 0 HG2 GLU A 31 -2.211 11.921 -4.809 1.00 54.44 H new ATOM 0 HG3 GLU A 31 -3.603 12.084 -3.757 1.00 54.44 H new ATOM 534 N LEU A 32 -3.766 10.645 -0.365 1.00 64.34 N ATOM 535 CA LEU A 32 -5.067 10.112 0.083 1.00 51.22 C ATOM 536 C LEU A 32 -5.399 10.544 1.541 1.00 62.11 C ATOM 537 O LEU A 32 -6.574 10.589 1.923 1.00 42.15 O ATOM 538 CB LEU A 32 -5.058 8.565 -0.048 1.00 63.30 C ATOM 539 CG LEU A 32 -4.818 8.005 -1.487 1.00 52.14 C ATOM 540 CD1 LEU A 32 -4.632 6.471 -1.476 1.00 64.34 C ATOM 541 CD2 LEU A 32 -5.939 8.443 -2.453 1.00 71.50 C ATOM 0 H LEU A 32 -2.989 10.006 -0.196 1.00 64.34 H new ATOM 0 HA LEU A 32 -5.849 10.527 -0.553 1.00 51.22 H new ATOM 0 HB2 LEU A 32 -4.284 8.168 0.609 1.00 63.30 H new ATOM 0 HB3 LEU A 32 -6.012 8.183 0.316 1.00 63.30 H new ATOM 0 HG LEU A 32 -3.887 8.435 -1.857 1.00 52.14 H new ATOM 0 HD11 LEU A 32 -4.467 6.117 -2.494 1.00 64.34 H new ATOM 0 HD12 LEU A 32 -3.771 6.213 -0.859 1.00 64.34 H new ATOM 0 HD13 LEU A 32 -5.526 5.999 -1.068 1.00 64.34 H new ATOM 0 HD21 LEU A 32 -5.743 8.037 -3.446 1.00 71.50 H new ATOM 0 HD22 LEU A 32 -6.897 8.070 -2.091 1.00 71.50 H new ATOM 0 HD23 LEU A 32 -5.970 9.531 -2.505 1.00 71.50 H new ATOM 553 N HIS A 33 -4.350 10.884 2.326 1.00 61.43 N ATOM 554 CA HIS A 33 -4.462 11.262 3.765 1.00 23.31 C ATOM 555 C HIS A 33 -5.474 12.399 4.000 1.00 12.34 C ATOM 556 O HIS A 33 -6.207 12.396 4.998 1.00 25.42 O ATOM 557 CB HIS A 33 -3.065 11.684 4.307 1.00 34.35 C ATOM 558 CG HIS A 33 -3.049 12.219 5.714 1.00 21.33 C ATOM 559 ND1 HIS A 33 -3.124 13.565 6.010 1.00 14.22 N ATOM 560 CD2 HIS A 33 -2.979 11.584 6.904 1.00 0.31 C ATOM 561 CE1 HIS A 33 -3.108 13.726 7.314 1.00 11.22 C ATOM 562 NE2 HIS A 33 -3.022 12.541 7.883 1.00 54.34 N ATOM 0 H HIS A 33 -3.391 10.906 1.980 1.00 61.43 H new ATOM 0 HA HIS A 33 -4.827 10.387 4.302 1.00 23.31 H new ATOM 0 HB2 HIS A 33 -2.400 10.822 4.257 1.00 34.35 H new ATOM 0 HB3 HIS A 33 -2.652 12.444 3.644 1.00 34.35 H new ATOM 0 HD2 HIS A 33 -2.903 10.517 7.056 1.00 0.31 H new ATOM 0 HE1 HIS A 33 -3.157 14.672 7.833 1.00 11.22 H new ATOM 0 HE2 HIS A 33 -2.992 12.365 8.887 1.00 54.34 H new ATOM 571 N GLU A 34 -5.491 13.357 3.064 1.00 15.42 N ATOM 572 CA GLU A 34 -6.348 14.556 3.140 1.00 1.32 C ATOM 573 C GLU A 34 -7.855 14.212 3.196 1.00 64.35 C ATOM 574 O GLU A 34 -8.618 14.886 3.898 1.00 34.35 O ATOM 575 CB GLU A 34 -6.056 15.501 1.950 1.00 75.25 C ATOM 576 CG GLU A 34 -6.208 14.853 0.560 1.00 65.33 C ATOM 577 CD GLU A 34 -6.141 15.875 -0.575 1.00 75.10 C ATOM 578 OE1 GLU A 34 -7.209 16.267 -1.098 1.00 54.34 O ATOM 579 OE2 GLU A 34 -5.024 16.313 -0.925 1.00 64.21 O ATOM 0 H GLU A 34 -4.909 13.325 2.227 1.00 15.42 H new ATOM 0 HA GLU A 34 -6.104 15.061 4.074 1.00 1.32 H new ATOM 0 HB2 GLU A 34 -6.727 16.358 2.011 1.00 75.25 H new ATOM 0 HB3 GLU A 34 -5.040 15.883 2.048 1.00 75.25 H new ATOM 0 HG2 GLU A 34 -5.423 14.110 0.422 1.00 65.33 H new ATOM 0 HG3 GLU A 34 -7.160 14.324 0.512 1.00 65.33 H new ATOM 586 N ARG A 35 -8.278 13.152 2.467 1.00 60.31 N ATOM 587 CA ARG A 35 -9.693 12.714 2.474 1.00 72.13 C ATOM 588 C ARG A 35 -9.887 11.612 3.523 1.00 45.34 C ATOM 589 O ARG A 35 -10.982 11.456 4.069 1.00 42.34 O ATOM 590 CB ARG A 35 -10.202 12.265 1.060 1.00 51.50 C ATOM 591 CG ARG A 35 -9.361 11.193 0.313 1.00 3.42 C ATOM 592 CD ARG A 35 -8.263 11.779 -0.606 1.00 14.43 C ATOM 593 NE ARG A 35 -8.812 12.513 -1.764 1.00 51.02 N ATOM 594 CZ ARG A 35 -8.085 13.078 -2.755 1.00 5.23 C ATOM 595 NH1 ARG A 35 -6.754 13.024 -2.762 1.00 12.04 N ATOM 596 NH2 ARG A 35 -8.711 13.698 -3.752 1.00 21.12 N ATOM 0 H ARG A 35 -7.667 12.591 1.873 1.00 60.31 H new ATOM 0 HA ARG A 35 -10.305 13.575 2.744 1.00 72.13 H new ATOM 0 HB2 ARG A 35 -11.216 11.882 1.171 1.00 51.50 H new ATOM 0 HB3 ARG A 35 -10.263 13.149 0.426 1.00 51.50 H new ATOM 0 HG2 ARG A 35 -8.893 10.537 1.047 1.00 3.42 H new ATOM 0 HG3 ARG A 35 -10.030 10.575 -0.286 1.00 3.42 H new ATOM 0 HD2 ARG A 35 -7.630 12.449 -0.025 1.00 14.43 H new ATOM 0 HD3 ARG A 35 -7.626 10.970 -0.964 1.00 14.43 H new ATOM 0 HE ARG A 35 -9.827 12.602 -1.821 1.00 51.02 H new ATOM 0 HH11 ARG A 35 -6.259 12.548 -2.008 1.00 12.04 H new ATOM 0 HH12 ARG A 35 -6.230 13.458 -3.522 1.00 12.04 H new ATOM 0 HH21 ARG A 35 -9.730 13.744 -3.764 1.00 21.12 H new ATOM 0 HH22 ARG A 35 -8.172 14.127 -4.504 1.00 21.12 H new ATOM 610 N GLY A 36 -8.790 10.879 3.809 1.00 71.34 N ATOM 611 CA GLY A 36 -8.769 9.820 4.826 1.00 61.12 C ATOM 612 C GLY A 36 -9.726 8.666 4.542 1.00 61.32 C ATOM 613 O GLY A 36 -10.138 7.961 5.465 1.00 71.35 O ATOM 0 H GLY A 36 -7.895 11.010 3.337 1.00 71.34 H new ATOM 0 HA2 GLY A 36 -7.756 9.427 4.905 1.00 61.12 H new ATOM 0 HA3 GLY A 36 -9.018 10.255 5.794 1.00 61.12 H new ATOM 617 N THR A 37 -10.072 8.469 3.258 1.00 21.10 N ATOM 618 CA THR A 37 -11.063 7.463 2.840 1.00 44.31 C ATOM 619 C THR A 37 -10.456 6.040 2.872 1.00 53.01 C ATOM 620 O THR A 37 -9.307 5.851 3.302 1.00 10.25 O ATOM 621 CB THR A 37 -11.645 7.819 1.418 1.00 74.23 C ATOM 622 OG1 THR A 37 -12.804 7.017 1.122 1.00 71.23 O ATOM 623 CG2 THR A 37 -10.609 7.647 0.287 1.00 43.21 C ATOM 0 H THR A 37 -9.674 9.001 2.484 1.00 21.10 H new ATOM 0 HA THR A 37 -11.890 7.476 3.550 1.00 44.31 H new ATOM 0 HB THR A 37 -11.922 8.872 1.461 1.00 74.23 H new ATOM 0 HG1 THR A 37 -13.149 7.256 0.236 1.00 71.23 H new ATOM 0 HG21 THR A 37 -11.066 7.906 -0.668 1.00 43.21 H new ATOM 0 HG22 THR A 37 -9.757 8.302 0.471 1.00 43.21 H new ATOM 0 HG23 THR A 37 -10.271 6.611 0.258 1.00 43.21 H new ATOM 631 N GLU A 38 -11.264 5.054 2.463 1.00 61.02 N ATOM 632 CA GLU A 38 -10.860 3.646 2.358 1.00 14.11 C ATOM 633 C GLU A 38 -9.641 3.453 1.412 1.00 21.03 C ATOM 634 O GLU A 38 -9.767 3.497 0.186 1.00 55.44 O ATOM 635 CB GLU A 38 -12.087 2.796 1.908 1.00 72.31 C ATOM 636 CG GLU A 38 -12.849 3.341 0.676 1.00 42.23 C ATOM 637 CD GLU A 38 -14.109 2.535 0.342 1.00 71.13 C ATOM 638 OE1 GLU A 38 -15.173 2.809 0.942 1.00 1.43 O ATOM 639 OE2 GLU A 38 -14.043 1.630 -0.518 1.00 53.52 O ATOM 0 H GLU A 38 -12.234 5.215 2.191 1.00 61.02 H new ATOM 0 HA GLU A 38 -10.530 3.302 3.338 1.00 14.11 H new ATOM 0 HB2 GLU A 38 -11.747 1.784 1.687 1.00 72.31 H new ATOM 0 HB3 GLU A 38 -12.784 2.722 2.743 1.00 72.31 H new ATOM 0 HG2 GLU A 38 -13.127 4.379 0.858 1.00 42.23 H new ATOM 0 HG3 GLU A 38 -12.183 3.336 -0.187 1.00 42.23 H new ATOM 646 N ILE A 39 -8.454 3.302 2.022 1.00 21.24 N ATOM 647 CA ILE A 39 -7.209 2.953 1.319 1.00 24.42 C ATOM 648 C ILE A 39 -7.018 1.432 1.425 1.00 2.11 C ATOM 649 O ILE A 39 -6.829 0.895 2.530 1.00 64.31 O ATOM 650 CB ILE A 39 -5.949 3.676 1.937 1.00 42.50 C ATOM 651 CG1 ILE A 39 -6.163 5.221 2.001 1.00 23.33 C ATOM 652 CG2 ILE A 39 -4.664 3.323 1.143 1.00 42.11 C ATOM 653 CD1 ILE A 39 -5.052 5.996 2.702 1.00 22.02 C ATOM 0 H ILE A 39 -8.331 3.420 3.028 1.00 21.24 H new ATOM 0 HA ILE A 39 -7.294 3.279 0.282 1.00 24.42 H new ATOM 0 HB ILE A 39 -5.823 3.316 2.958 1.00 42.50 H new ATOM 0 HG12 ILE A 39 -6.265 5.601 0.985 1.00 23.33 H new ATOM 0 HG13 ILE A 39 -7.104 5.422 2.513 1.00 23.33 H new ATOM 0 HG21 ILE A 39 -3.810 3.833 1.588 1.00 42.11 H new ATOM 0 HG22 ILE A 39 -4.501 2.246 1.175 1.00 42.11 H new ATOM 0 HG23 ILE A 39 -4.777 3.642 0.107 1.00 42.11 H new ATOM 0 HD11 ILE A 39 -5.291 7.060 2.696 1.00 22.02 H new ATOM 0 HD12 ILE A 39 -4.961 5.650 3.732 1.00 22.02 H new ATOM 0 HD13 ILE A 39 -4.109 5.833 2.180 1.00 22.02 H new ATOM 665 N VAL A 40 -7.105 0.747 0.280 1.00 23.51 N ATOM 666 CA VAL A 40 -6.998 -0.711 0.199 1.00 75.41 C ATOM 667 C VAL A 40 -5.649 -1.073 -0.425 1.00 34.33 C ATOM 668 O VAL A 40 -5.453 -0.904 -1.628 1.00 24.02 O ATOM 669 CB VAL A 40 -8.164 -1.348 -0.647 1.00 31.22 C ATOM 670 CG1 VAL A 40 -8.149 -2.890 -0.551 1.00 0.12 C ATOM 671 CG2 VAL A 40 -9.534 -0.769 -0.238 1.00 11.33 C ATOM 0 H VAL A 40 -7.253 1.195 -0.624 1.00 23.51 H new ATOM 0 HA VAL A 40 -7.076 -1.114 1.209 1.00 75.41 H new ATOM 0 HB VAL A 40 -7.997 -1.084 -1.691 1.00 31.22 H new ATOM 0 HG11 VAL A 40 -8.966 -3.300 -1.146 1.00 0.12 H new ATOM 0 HG12 VAL A 40 -7.199 -3.269 -0.929 1.00 0.12 H new ATOM 0 HG13 VAL A 40 -8.271 -3.191 0.489 1.00 0.12 H new ATOM 0 HG21 VAL A 40 -10.318 -1.229 -0.840 1.00 11.33 H new ATOM 0 HG22 VAL A 40 -9.717 -0.977 0.816 1.00 11.33 H new ATOM 0 HG23 VAL A 40 -9.537 0.309 -0.401 1.00 11.33 H new ATOM 681 N VAL A 41 -4.724 -1.544 0.403 1.00 0.11 N ATOM 682 CA VAL A 41 -3.393 -1.969 -0.029 1.00 42.04 C ATOM 683 C VAL A 41 -3.442 -3.471 -0.318 1.00 15.11 C ATOM 684 O VAL A 41 -3.622 -4.282 0.602 1.00 2.12 O ATOM 685 CB VAL A 41 -2.332 -1.643 1.084 1.00 63.44 C ATOM 686 CG1 VAL A 41 -0.908 -2.087 0.684 1.00 10.14 C ATOM 687 CG2 VAL A 41 -2.381 -0.142 1.430 1.00 62.43 C ATOM 0 H VAL A 41 -4.877 -1.644 1.407 1.00 0.11 H new ATOM 0 HA VAL A 41 -3.097 -1.434 -0.931 1.00 42.04 H new ATOM 0 HB VAL A 41 -2.590 -2.217 1.974 1.00 63.44 H new ATOM 0 HG11 VAL A 41 -0.211 -1.840 1.485 1.00 10.14 H new ATOM 0 HG12 VAL A 41 -0.897 -3.163 0.513 1.00 10.14 H new ATOM 0 HG13 VAL A 41 -0.609 -1.571 -0.229 1.00 10.14 H new ATOM 0 HG21 VAL A 41 -1.643 0.078 2.202 1.00 62.43 H new ATOM 0 HG22 VAL A 41 -2.159 0.444 0.538 1.00 62.43 H new ATOM 0 HG23 VAL A 41 -3.375 0.115 1.795 1.00 62.43 H new ATOM 697 N GLU A 42 -3.323 -3.832 -1.603 1.00 54.52 N ATOM 698 CA GLU A 42 -3.465 -5.216 -2.054 1.00 61.23 C ATOM 699 C GLU A 42 -2.158 -5.708 -2.699 1.00 5.42 C ATOM 700 O GLU A 42 -1.799 -5.289 -3.800 1.00 71.54 O ATOM 701 CB GLU A 42 -4.672 -5.345 -3.015 1.00 32.04 C ATOM 702 CG GLU A 42 -4.942 -6.783 -3.503 1.00 33.31 C ATOM 703 CD GLU A 42 -6.245 -6.916 -4.286 1.00 53.30 C ATOM 704 OE1 GLU A 42 -6.354 -6.319 -5.379 1.00 2.32 O ATOM 705 OE2 GLU A 42 -7.166 -7.614 -3.819 1.00 62.51 O ATOM 0 H GLU A 42 -3.126 -3.171 -2.355 1.00 54.52 H new ATOM 0 HA GLU A 42 -3.662 -5.855 -1.193 1.00 61.23 H new ATOM 0 HB2 GLU A 42 -5.564 -4.971 -2.512 1.00 32.04 H new ATOM 0 HB3 GLU A 42 -4.502 -4.705 -3.881 1.00 32.04 H new ATOM 0 HG2 GLU A 42 -4.113 -7.108 -4.131 1.00 33.31 H new ATOM 0 HG3 GLU A 42 -4.972 -7.452 -2.643 1.00 33.31 H new ATOM 712 N VAL A 43 -1.463 -6.611 -1.992 1.00 51.04 N ATOM 713 CA VAL A 43 -0.129 -7.109 -2.375 1.00 74.20 C ATOM 714 C VAL A 43 -0.273 -8.455 -3.132 1.00 75.01 C ATOM 715 O VAL A 43 -0.508 -9.498 -2.519 1.00 74.51 O ATOM 716 CB VAL A 43 0.759 -7.289 -1.075 1.00 24.34 C ATOM 717 CG1 VAL A 43 2.212 -7.683 -1.407 1.00 20.24 C ATOM 718 CG2 VAL A 43 0.709 -6.024 -0.187 1.00 14.22 C ATOM 0 H VAL A 43 -1.814 -7.023 -1.127 1.00 51.04 H new ATOM 0 HA VAL A 43 0.358 -6.391 -3.035 1.00 74.20 H new ATOM 0 HB VAL A 43 0.331 -8.117 -0.510 1.00 24.34 H new ATOM 0 HG11 VAL A 43 2.779 -7.794 -0.483 1.00 20.24 H new ATOM 0 HG12 VAL A 43 2.218 -8.627 -1.952 1.00 20.24 H new ATOM 0 HG13 VAL A 43 2.668 -6.907 -2.021 1.00 20.24 H new ATOM 0 HG21 VAL A 43 1.327 -6.176 0.698 1.00 14.22 H new ATOM 0 HG22 VAL A 43 1.085 -5.169 -0.750 1.00 14.22 H new ATOM 0 HG23 VAL A 43 -0.320 -5.834 0.118 1.00 14.22 H new ATOM 728 N HIS A 44 -0.155 -8.413 -4.472 1.00 44.52 N ATOM 729 CA HIS A 44 -0.259 -9.613 -5.339 1.00 22.34 C ATOM 730 C HIS A 44 1.141 -10.222 -5.521 1.00 2.13 C ATOM 731 O HIS A 44 1.967 -9.639 -6.222 1.00 31.51 O ATOM 732 CB HIS A 44 -0.834 -9.248 -6.742 1.00 23.12 C ATOM 733 CG HIS A 44 -2.190 -8.593 -6.747 1.00 54.25 C ATOM 734 ND1 HIS A 44 -3.320 -9.205 -7.243 1.00 60.31 N ATOM 735 CD2 HIS A 44 -2.581 -7.350 -6.385 1.00 4.40 C ATOM 736 CE1 HIS A 44 -4.331 -8.372 -7.185 1.00 33.23 C ATOM 737 NE2 HIS A 44 -3.910 -7.243 -6.673 1.00 43.10 N ATOM 0 H HIS A 44 0.015 -7.550 -4.989 1.00 44.52 H new ATOM 0 HA HIS A 44 -0.933 -10.325 -4.862 1.00 22.34 H new ATOM 0 HB2 HIS A 44 -0.129 -8.583 -7.240 1.00 23.12 H new ATOM 0 HB3 HIS A 44 -0.890 -10.159 -7.339 1.00 23.12 H new ATOM 0 HD2 HIS A 44 -1.957 -6.584 -5.949 1.00 4.40 H new ATOM 0 HE1 HIS A 44 -5.341 -8.582 -7.506 1.00 33.23 H new ATOM 0 HE2 HIS A 44 -4.484 -6.415 -6.515 1.00 43.10 H new ATOM 746 N ILE A 45 1.422 -11.361 -4.865 1.00 53.20 N ATOM 747 CA ILE A 45 2.698 -12.091 -5.032 1.00 24.03 C ATOM 748 C ILE A 45 2.430 -13.571 -5.364 1.00 41.52 C ATOM 749 O ILE A 45 1.786 -14.281 -4.581 1.00 51.41 O ATOM 750 CB ILE A 45 3.630 -11.977 -3.761 1.00 5.20 C ATOM 751 CG1 ILE A 45 3.955 -10.477 -3.460 1.00 21.00 C ATOM 752 CG2 ILE A 45 4.931 -12.802 -3.947 1.00 11.21 C ATOM 753 CD1 ILE A 45 4.921 -10.242 -2.316 1.00 43.33 C ATOM 0 H ILE A 45 0.778 -11.802 -4.208 1.00 53.20 H new ATOM 0 HA ILE A 45 3.227 -11.623 -5.862 1.00 24.03 H new ATOM 0 HB ILE A 45 3.097 -12.392 -2.906 1.00 5.20 H new ATOM 0 HG12 ILE A 45 4.367 -10.023 -4.361 1.00 21.00 H new ATOM 0 HG13 ILE A 45 3.023 -9.957 -3.239 1.00 21.00 H new ATOM 0 HG21 ILE A 45 5.553 -12.705 -3.057 1.00 11.21 H new ATOM 0 HG22 ILE A 45 4.678 -13.851 -4.101 1.00 11.21 H new ATOM 0 HG23 ILE A 45 5.477 -12.430 -4.814 1.00 11.21 H new ATOM 0 HD11 ILE A 45 5.080 -9.171 -2.188 1.00 43.33 H new ATOM 0 HD12 ILE A 45 4.506 -10.659 -1.398 1.00 43.33 H new ATOM 0 HD13 ILE A 45 5.872 -10.726 -2.538 1.00 43.33 H new ATOM 765 N ASN A 46 2.913 -13.995 -6.559 1.00 3.45 N ATOM 766 CA ASN A 46 2.898 -15.403 -7.027 1.00 34.41 C ATOM 767 C ASN A 46 1.463 -15.978 -7.089 1.00 43.11 C ATOM 768 O ASN A 46 1.248 -17.189 -6.926 1.00 1.22 O ATOM 769 CB ASN A 46 3.853 -16.276 -6.148 1.00 64.42 C ATOM 770 CG ASN A 46 5.314 -15.801 -6.175 1.00 50.30 C ATOM 771 OD1 ASN A 46 5.795 -15.262 -7.171 1.00 42.11 O ATOM 772 ND2 ASN A 46 6.034 -15.982 -5.080 1.00 63.31 N ATOM 0 H ASN A 46 3.331 -13.356 -7.236 1.00 3.45 H new ATOM 0 HA ASN A 46 3.273 -15.426 -8.050 1.00 34.41 H new ATOM 0 HB2 ASN A 46 3.495 -16.268 -5.118 1.00 64.42 H new ATOM 0 HB3 ASN A 46 3.808 -17.309 -6.493 1.00 64.42 H new ATOM 0 HD21 ASN A 46 7.006 -15.673 -5.052 1.00 63.31 H new ATOM 0 HD22 ASN A 46 5.618 -16.431 -4.264 1.00 63.31 H new ATOM 779 N GLY A 47 0.490 -15.083 -7.371 1.00 22.22 N ATOM 780 CA GLY A 47 -0.924 -15.452 -7.515 1.00 4.42 C ATOM 781 C GLY A 47 -1.761 -15.129 -6.287 1.00 34.15 C ATOM 782 O GLY A 47 -2.986 -15.011 -6.392 1.00 32.02 O ATOM 0 H GLY A 47 0.669 -14.088 -7.504 1.00 22.22 H new ATOM 0 HA2 GLY A 47 -1.342 -14.932 -8.377 1.00 4.42 H new ATOM 0 HA3 GLY A 47 -0.994 -16.520 -7.722 1.00 4.42 H new ATOM 786 N GLU A 48 -1.108 -14.977 -5.117 1.00 72.44 N ATOM 787 CA GLU A 48 -1.791 -14.681 -3.846 1.00 25.01 C ATOM 788 C GLU A 48 -2.014 -13.167 -3.688 1.00 33.52 C ATOM 789 O GLU A 48 -1.049 -12.395 -3.646 1.00 64.13 O ATOM 790 CB GLU A 48 -0.964 -15.202 -2.646 1.00 24.31 C ATOM 791 CG GLU A 48 -0.671 -16.705 -2.676 1.00 73.24 C ATOM 792 CD GLU A 48 -0.025 -17.197 -1.378 1.00 40.14 C ATOM 793 OE1 GLU A 48 1.198 -16.993 -1.191 1.00 1.31 O ATOM 794 OE2 GLU A 48 -0.736 -17.788 -0.533 1.00 40.45 O ATOM 0 H GLU A 48 -0.095 -15.056 -5.029 1.00 72.44 H new ATOM 0 HA GLU A 48 -2.757 -15.186 -3.863 1.00 25.01 H new ATOM 0 HB2 GLU A 48 -0.018 -14.662 -2.612 1.00 24.31 H new ATOM 0 HB3 GLU A 48 -1.498 -14.968 -1.725 1.00 24.31 H new ATOM 0 HG2 GLU A 48 -1.599 -17.251 -2.847 1.00 73.24 H new ATOM 0 HG3 GLU A 48 -0.011 -16.928 -3.515 1.00 73.24 H new ATOM 801 N ARG A 49 -3.287 -12.750 -3.604 1.00 61.45 N ATOM 802 CA ARG A 49 -3.653 -11.352 -3.329 1.00 30.33 C ATOM 803 C ARG A 49 -3.893 -11.165 -1.813 1.00 2.24 C ATOM 804 O ARG A 49 -4.809 -11.756 -1.223 1.00 14.25 O ATOM 805 CB ARG A 49 -4.886 -10.921 -4.197 1.00 35.51 C ATOM 806 CG ARG A 49 -6.172 -11.763 -4.017 1.00 61.13 C ATOM 807 CD ARG A 49 -7.194 -11.549 -5.154 1.00 53.11 C ATOM 808 NE ARG A 49 -7.536 -10.128 -5.342 1.00 14.31 N ATOM 809 CZ ARG A 49 -8.056 -9.581 -6.456 1.00 11.35 C ATOM 810 NH1 ARG A 49 -8.340 -10.322 -7.531 1.00 23.25 N ATOM 811 NH2 ARG A 49 -8.272 -8.274 -6.498 1.00 23.44 N ATOM 0 H ARG A 49 -4.088 -13.370 -3.724 1.00 61.45 H new ATOM 0 HA ARG A 49 -2.832 -10.694 -3.614 1.00 30.33 H new ATOM 0 HB2 ARG A 49 -5.121 -9.882 -3.967 1.00 35.51 H new ATOM 0 HB3 ARG A 49 -4.596 -10.957 -5.247 1.00 35.51 H new ATOM 0 HG2 ARG A 49 -5.905 -12.819 -3.969 1.00 61.13 H new ATOM 0 HG3 ARG A 49 -6.637 -11.508 -3.065 1.00 61.13 H new ATOM 0 HD2 ARG A 49 -6.788 -11.948 -6.084 1.00 53.11 H new ATOM 0 HD3 ARG A 49 -8.101 -12.112 -4.934 1.00 53.11 H new ATOM 0 HE ARG A 49 -7.363 -9.502 -4.556 1.00 14.31 H new ATOM 0 HH11 ARG A 49 -8.163 -11.326 -7.519 1.00 23.25 H new ATOM 0 HH12 ARG A 49 -8.734 -9.883 -8.363 1.00 23.25 H new ATOM 0 HH21 ARG A 49 -8.044 -7.693 -5.691 1.00 23.44 H new ATOM 0 HH22 ARG A 49 -8.666 -7.849 -7.337 1.00 23.44 H new ATOM 825 N ASP A 50 -3.002 -10.383 -1.191 1.00 24.53 N ATOM 826 CA ASP A 50 -3.123 -9.933 0.209 1.00 45.33 C ATOM 827 C ASP A 50 -3.989 -8.673 0.210 1.00 63.54 C ATOM 828 O ASP A 50 -3.795 -7.824 -0.636 1.00 32.02 O ATOM 829 CB ASP A 50 -1.711 -9.613 0.786 1.00 21.22 C ATOM 830 CG ASP A 50 -1.728 -8.895 2.155 1.00 1.51 C ATOM 831 OD1 ASP A 50 -0.983 -7.905 2.334 1.00 21.10 O ATOM 832 OD2 ASP A 50 -2.473 -9.325 3.069 1.00 24.12 O ATOM 0 H ASP A 50 -2.160 -10.037 -1.651 1.00 24.53 H new ATOM 0 HA ASP A 50 -3.574 -10.709 0.828 1.00 45.33 H new ATOM 0 HB2 ASP A 50 -1.153 -10.544 0.885 1.00 21.22 H new ATOM 0 HB3 ASP A 50 -1.172 -8.992 0.071 1.00 21.22 H new ATOM 837 N GLU A 51 -4.932 -8.558 1.146 1.00 70.33 N ATOM 838 CA GLU A 51 -5.927 -7.467 1.146 1.00 65.43 C ATOM 839 C GLU A 51 -5.972 -6.787 2.529 1.00 15.41 C ATOM 840 O GLU A 51 -6.337 -7.418 3.530 1.00 53.40 O ATOM 841 CB GLU A 51 -7.311 -8.044 0.750 1.00 73.43 C ATOM 842 CG GLU A 51 -8.456 -7.014 0.705 1.00 2.15 C ATOM 843 CD GLU A 51 -9.803 -7.648 0.334 1.00 44.24 C ATOM 844 OE1 GLU A 51 -10.179 -7.639 -0.859 1.00 15.25 O ATOM 845 OE2 GLU A 51 -10.488 -8.178 1.236 1.00 53.13 O ATOM 0 H GLU A 51 -5.034 -9.210 1.924 1.00 70.33 H new ATOM 0 HA GLU A 51 -5.646 -6.707 0.418 1.00 65.43 H new ATOM 0 HB2 GLU A 51 -7.226 -8.513 -0.230 1.00 73.43 H new ATOM 0 HB3 GLU A 51 -7.576 -8.830 1.457 1.00 73.43 H new ATOM 0 HG2 GLU A 51 -8.542 -6.529 1.677 1.00 2.15 H new ATOM 0 HG3 GLU A 51 -8.213 -6.236 -0.019 1.00 2.15 H new ATOM 852 N ILE A 52 -5.559 -5.507 2.570 1.00 62.01 N ATOM 853 CA ILE A 52 -5.563 -4.671 3.787 1.00 2.14 C ATOM 854 C ILE A 52 -6.421 -3.422 3.502 1.00 53.21 C ATOM 855 O ILE A 52 -6.242 -2.787 2.469 1.00 12.13 O ATOM 856 CB ILE A 52 -4.101 -4.216 4.198 1.00 44.55 C ATOM 857 CG1 ILE A 52 -3.081 -5.397 4.065 1.00 3.33 C ATOM 858 CG2 ILE A 52 -4.099 -3.642 5.642 1.00 74.53 C ATOM 859 CD1 ILE A 52 -1.621 -4.976 4.094 1.00 30.23 C ATOM 0 H ILE A 52 -5.208 -5.016 1.748 1.00 62.01 H new ATOM 0 HA ILE A 52 -5.969 -5.256 4.613 1.00 2.14 H new ATOM 0 HB ILE A 52 -3.785 -3.429 3.513 1.00 44.55 H new ATOM 0 HG12 ILE A 52 -3.258 -6.106 4.874 1.00 3.33 H new ATOM 0 HG13 ILE A 52 -3.275 -5.925 3.131 1.00 3.33 H new ATOM 0 HG21 ILE A 52 -3.088 -3.334 5.910 1.00 74.53 H new ATOM 0 HG22 ILE A 52 -4.766 -2.781 5.692 1.00 74.53 H new ATOM 0 HG23 ILE A 52 -4.441 -4.408 6.338 1.00 74.53 H new ATOM 0 HD11 ILE A 52 -0.986 -5.857 3.996 1.00 30.23 H new ATOM 0 HD12 ILE A 52 -1.423 -4.292 3.268 1.00 30.23 H new ATOM 0 HD13 ILE A 52 -1.405 -4.476 5.038 1.00 30.23 H new ATOM 871 N ARG A 53 -7.351 -3.082 4.412 1.00 71.31 N ATOM 872 CA ARG A 53 -8.251 -1.914 4.269 1.00 1.22 C ATOM 873 C ARG A 53 -8.137 -1.027 5.518 1.00 44.41 C ATOM 874 O ARG A 53 -8.228 -1.533 6.645 1.00 53.03 O ATOM 875 CB ARG A 53 -9.725 -2.379 4.071 1.00 32.30 C ATOM 876 CG ARG A 53 -9.995 -3.092 2.730 1.00 62.51 C ATOM 877 CD ARG A 53 -11.476 -3.455 2.512 1.00 61.13 C ATOM 878 NE ARG A 53 -11.732 -3.872 1.112 1.00 64.43 N ATOM 879 CZ ARG A 53 -12.247 -5.049 0.722 1.00 54.41 C ATOM 880 NH1 ARG A 53 -12.580 -5.982 1.613 1.00 54.03 N ATOM 881 NH2 ARG A 53 -12.417 -5.293 -0.576 1.00 53.42 N ATOM 0 H ARG A 53 -7.503 -3.609 5.272 1.00 71.31 H new ATOM 0 HA ARG A 53 -7.954 -1.342 3.390 1.00 1.22 H new ATOM 0 HB2 ARG A 53 -9.993 -3.051 4.886 1.00 32.30 H new ATOM 0 HB3 ARG A 53 -10.380 -1.511 4.145 1.00 32.30 H new ATOM 0 HG2 ARG A 53 -9.663 -2.451 1.914 1.00 62.51 H new ATOM 0 HG3 ARG A 53 -9.396 -4.002 2.685 1.00 62.51 H new ATOM 0 HD2 ARG A 53 -11.758 -4.260 3.190 1.00 61.13 H new ATOM 0 HD3 ARG A 53 -12.102 -2.597 2.758 1.00 61.13 H new ATOM 0 HE ARG A 53 -11.495 -3.204 0.379 1.00 64.43 H new ATOM 0 HH11 ARG A 53 -12.445 -5.808 2.609 1.00 54.03 H new ATOM 0 HH12 ARG A 53 -12.970 -6.871 1.299 1.00 54.03 H new ATOM 0 HH21 ARG A 53 -12.157 -4.588 -1.266 1.00 53.42 H new ATOM 0 HH22 ARG A 53 -12.808 -6.185 -0.880 1.00 53.42 H new ATOM 895 N VAL A 54 -7.933 0.292 5.320 1.00 70.44 N ATOM 896 CA VAL A 54 -7.796 1.256 6.430 1.00 11.22 C ATOM 897 C VAL A 54 -8.511 2.587 6.101 1.00 73.35 C ATOM 898 O VAL A 54 -8.522 3.026 4.948 1.00 22.03 O ATOM 899 CB VAL A 54 -6.277 1.505 6.771 1.00 62.14 C ATOM 900 CG1 VAL A 54 -5.548 2.349 5.703 1.00 10.43 C ATOM 901 CG2 VAL A 54 -6.123 2.084 8.191 1.00 12.32 C ATOM 0 H VAL A 54 -7.859 0.715 4.395 1.00 70.44 H new ATOM 0 HA VAL A 54 -8.276 0.826 7.309 1.00 11.22 H new ATOM 0 HB VAL A 54 -5.780 0.535 6.754 1.00 62.14 H new ATOM 0 HG11 VAL A 54 -4.507 2.485 5.995 1.00 10.43 H new ATOM 0 HG12 VAL A 54 -5.591 1.836 4.742 1.00 10.43 H new ATOM 0 HG13 VAL A 54 -6.031 3.322 5.617 1.00 10.43 H new ATOM 0 HG21 VAL A 54 -5.067 2.248 8.405 1.00 12.32 H new ATOM 0 HG22 VAL A 54 -6.658 3.031 8.258 1.00 12.32 H new ATOM 0 HG23 VAL A 54 -6.535 1.383 8.917 1.00 12.32 H new ATOM 911 N ARG A 55 -9.157 3.186 7.116 1.00 31.21 N ATOM 912 CA ARG A 55 -9.822 4.506 7.019 1.00 32.41 C ATOM 913 C ARG A 55 -9.279 5.421 8.139 1.00 63.14 C ATOM 914 O ARG A 55 -9.089 4.950 9.264 1.00 24.45 O ATOM 915 CB ARG A 55 -11.376 4.382 7.178 1.00 73.44 C ATOM 916 CG ARG A 55 -12.155 3.651 6.051 1.00 54.00 C ATOM 917 CD ARG A 55 -11.935 2.128 6.006 1.00 44.03 C ATOM 918 NE ARG A 55 -12.146 1.484 7.312 1.00 52.33 N ATOM 919 CZ ARG A 55 -12.066 0.159 7.554 1.00 51.41 C ATOM 920 NH1 ARG A 55 -11.764 -0.711 6.584 1.00 4.21 N ATOM 921 NH2 ARG A 55 -12.273 -0.291 8.791 1.00 13.14 N ATOM 0 H ARG A 55 -9.236 2.765 8.042 1.00 31.21 H new ATOM 0 HA ARG A 55 -9.611 4.923 6.034 1.00 32.41 H new ATOM 0 HB2 ARG A 55 -11.578 3.866 8.116 1.00 73.44 H new ATOM 0 HB3 ARG A 55 -11.786 5.388 7.273 1.00 73.44 H new ATOM 0 HG2 ARG A 55 -13.220 3.848 6.176 1.00 54.00 H new ATOM 0 HG3 ARG A 55 -11.863 4.076 5.091 1.00 54.00 H new ATOM 0 HD2 ARG A 55 -12.614 1.689 5.275 1.00 44.03 H new ATOM 0 HD3 ARG A 55 -10.921 1.922 5.664 1.00 44.03 H new ATOM 0 HE ARG A 55 -12.372 2.090 8.101 1.00 52.33 H new ATOM 0 HH11 ARG A 55 -11.588 -0.377 5.636 1.00 4.21 H new ATOM 0 HH12 ARG A 55 -11.710 -1.708 6.792 1.00 4.21 H new ATOM 0 HH21 ARG A 55 -12.489 0.364 9.542 1.00 13.14 H new ATOM 0 HH22 ARG A 55 -12.215 -1.290 8.986 1.00 13.14 H new ATOM 935 N ASN A 56 -9.035 6.708 7.805 1.00 72.42 N ATOM 936 CA ASN A 56 -8.659 7.781 8.765 1.00 12.35 C ATOM 937 C ASN A 56 -7.395 7.408 9.577 1.00 0.24 C ATOM 938 O ASN A 56 -7.477 6.886 10.701 1.00 75.35 O ATOM 939 CB ASN A 56 -9.839 8.172 9.718 1.00 34.43 C ATOM 940 CG ASN A 56 -11.014 8.900 9.051 1.00 2.01 C ATOM 941 OD1 ASN A 56 -11.625 9.790 9.647 1.00 31.33 O ATOM 942 ND2 ASN A 56 -11.380 8.517 7.840 1.00 71.24 N ATOM 0 H ASN A 56 -9.094 7.041 6.843 1.00 72.42 H new ATOM 0 HA ASN A 56 -8.425 8.659 8.163 1.00 12.35 H new ATOM 0 HB2 ASN A 56 -10.217 7.265 10.190 1.00 34.43 H new ATOM 0 HB3 ASN A 56 -9.446 8.806 10.513 1.00 34.43 H new ATOM 0 HD21 ASN A 56 -12.179 8.959 7.385 1.00 71.24 H new ATOM 0 HD22 ASN A 56 -10.864 7.779 7.361 1.00 71.24 H new ATOM 949 N ILE A 57 -6.229 7.663 8.973 1.00 20.32 N ATOM 950 CA ILE A 57 -4.917 7.298 9.538 1.00 61.32 C ATOM 951 C ILE A 57 -3.858 8.341 9.165 1.00 31.11 C ATOM 952 O ILE A 57 -3.964 8.985 8.125 1.00 70.33 O ATOM 953 CB ILE A 57 -4.446 5.839 9.105 1.00 21.14 C ATOM 954 CG1 ILE A 57 -4.992 5.401 7.696 1.00 3.43 C ATOM 955 CG2 ILE A 57 -4.846 4.798 10.178 1.00 52.31 C ATOM 956 CD1 ILE A 57 -4.567 6.225 6.493 1.00 40.21 C ATOM 0 H ILE A 57 -6.165 8.133 8.070 1.00 20.32 H new ATOM 0 HA ILE A 57 -5.034 7.283 10.622 1.00 61.32 H new ATOM 0 HB ILE A 57 -3.360 5.881 9.021 1.00 21.14 H new ATOM 0 HG12 ILE A 57 -4.686 4.369 7.522 1.00 3.43 H new ATOM 0 HG13 ILE A 57 -6.081 5.407 7.740 1.00 3.43 H new ATOM 0 HG21 ILE A 57 -4.516 3.807 9.865 1.00 52.31 H new ATOM 0 HG22 ILE A 57 -4.375 5.054 11.127 1.00 52.31 H new ATOM 0 HG23 ILE A 57 -5.929 4.798 10.299 1.00 52.31 H new ATOM 0 HD11 ILE A 57 -5.016 5.810 5.591 1.00 40.21 H new ATOM 0 HD12 ILE A 57 -4.898 7.255 6.623 1.00 40.21 H new ATOM 0 HD13 ILE A 57 -3.481 6.201 6.401 1.00 40.21 H new ATOM 968 N SER A 58 -2.842 8.482 10.028 1.00 32.14 N ATOM 969 CA SER A 58 -1.725 9.422 9.847 1.00 61.42 C ATOM 970 C SER A 58 -0.514 8.686 9.243 1.00 0.32 C ATOM 971 O SER A 58 -0.566 7.468 9.046 1.00 60.34 O ATOM 972 CB SER A 58 -1.380 10.055 11.210 1.00 34.12 C ATOM 973 OG SER A 58 -2.529 10.652 11.796 1.00 62.22 O ATOM 0 H SER A 58 -2.772 7.937 10.887 1.00 32.14 H new ATOM 0 HA SER A 58 -2.007 10.216 9.156 1.00 61.42 H new ATOM 0 HB2 SER A 58 -0.980 9.293 11.879 1.00 34.12 H new ATOM 0 HB3 SER A 58 -0.601 10.806 11.080 1.00 34.12 H new ATOM 0 HG SER A 58 -2.315 11.566 12.078 1.00 62.22 H new ATOM 979 N LYS A 59 0.578 9.437 8.995 1.00 21.00 N ATOM 980 CA LYS A 59 1.751 8.982 8.217 1.00 4.11 C ATOM 981 C LYS A 59 2.360 7.643 8.721 1.00 63.00 C ATOM 982 O LYS A 59 2.550 6.732 7.928 1.00 13.34 O ATOM 983 CB LYS A 59 2.821 10.112 8.185 1.00 51.34 C ATOM 984 CG LYS A 59 3.292 10.582 9.576 1.00 24.31 C ATOM 985 CD LYS A 59 4.232 11.806 9.517 1.00 33.04 C ATOM 986 CE LYS A 59 4.745 12.196 10.904 1.00 45.20 C ATOM 987 NZ LYS A 59 5.580 13.433 10.883 1.00 44.33 N ATOM 0 H LYS A 59 0.672 10.394 9.335 1.00 21.00 H new ATOM 0 HA LYS A 59 1.402 8.772 7.206 1.00 4.11 H new ATOM 0 HB2 LYS A 59 3.686 9.761 7.621 1.00 51.34 H new ATOM 0 HB3 LYS A 59 2.413 10.967 7.645 1.00 51.34 H new ATOM 0 HG2 LYS A 59 2.421 10.829 10.183 1.00 24.31 H new ATOM 0 HG3 LYS A 59 3.806 9.761 10.075 1.00 24.31 H new ATOM 0 HD2 LYS A 59 5.078 11.584 8.866 1.00 33.04 H new ATOM 0 HD3 LYS A 59 3.702 12.650 9.075 1.00 33.04 H new ATOM 0 HE2 LYS A 59 3.897 12.347 11.571 1.00 45.20 H new ATOM 0 HE3 LYS A 59 5.331 11.374 11.314 1.00 45.20 H new ATOM 0 HZ1 LYS A 59 5.901 13.652 11.848 1.00 44.33 H new ATOM 0 HZ2 LYS A 59 6.406 13.284 10.269 1.00 44.33 H new ATOM 0 HZ3 LYS A 59 5.016 14.227 10.518 1.00 44.33 H new ATOM 1001 N GLU A 60 2.612 7.515 10.034 1.00 1.34 N ATOM 1002 CA GLU A 60 3.282 6.316 10.614 1.00 11.31 C ATOM 1003 C GLU A 60 2.340 5.096 10.633 1.00 21.15 C ATOM 1004 O GLU A 60 2.791 3.942 10.542 1.00 44.20 O ATOM 1005 CB GLU A 60 3.838 6.603 12.038 1.00 71.14 C ATOM 1006 CG GLU A 60 2.786 6.857 13.145 1.00 64.31 C ATOM 1007 CD GLU A 60 2.067 8.203 13.010 1.00 60.20 C ATOM 1008 OE1 GLU A 60 0.962 8.238 12.436 1.00 72.14 O ATOM 1009 OE2 GLU A 60 2.629 9.232 13.437 1.00 52.02 O ATOM 0 H GLU A 60 2.365 8.224 10.724 1.00 1.34 H new ATOM 0 HA GLU A 60 4.126 6.079 9.967 1.00 11.31 H new ATOM 0 HB2 GLU A 60 4.457 5.758 12.341 1.00 71.14 H new ATOM 0 HB3 GLU A 60 4.492 7.473 11.981 1.00 71.14 H new ATOM 0 HG2 GLU A 60 2.047 6.056 13.123 1.00 64.31 H new ATOM 0 HG3 GLU A 60 3.276 6.812 14.118 1.00 64.31 H new ATOM 1016 N GLU A 61 1.036 5.378 10.754 1.00 74.14 N ATOM 1017 CA GLU A 61 -0.022 4.358 10.730 1.00 34.54 C ATOM 1018 C GLU A 61 -0.160 3.745 9.321 1.00 51.14 C ATOM 1019 O GLU A 61 -0.138 2.520 9.163 1.00 33.23 O ATOM 1020 CB GLU A 61 -1.359 4.978 11.195 1.00 64.41 C ATOM 1021 CG GLU A 61 -1.344 5.532 12.628 1.00 3.13 C ATOM 1022 CD GLU A 61 -2.681 6.175 13.026 1.00 14.21 C ATOM 1023 OE1 GLU A 61 -3.558 5.469 13.565 1.00 2.41 O ATOM 1024 OE2 GLU A 61 -2.865 7.384 12.795 1.00 32.41 O ATOM 0 H GLU A 61 0.683 6.327 10.872 1.00 74.14 H new ATOM 0 HA GLU A 61 0.248 3.555 11.416 1.00 34.54 H new ATOM 0 HB2 GLU A 61 -1.628 5.783 10.511 1.00 64.41 H new ATOM 0 HB3 GLU A 61 -2.140 4.222 11.120 1.00 64.41 H new ATOM 0 HG2 GLU A 61 -1.112 4.725 13.323 1.00 3.13 H new ATOM 0 HG3 GLU A 61 -0.548 6.271 12.720 1.00 3.13 H new ATOM 1031 N LEU A 62 -0.260 4.611 8.291 1.00 62.23 N ATOM 1032 CA LEU A 62 -0.343 4.163 6.885 1.00 2.24 C ATOM 1033 C LEU A 62 1.013 3.606 6.405 1.00 20.22 C ATOM 1034 O LEU A 62 1.070 2.838 5.446 1.00 34.43 O ATOM 1035 CB LEU A 62 -0.898 5.295 5.955 1.00 72.30 C ATOM 1036 CG LEU A 62 -0.148 6.681 5.931 1.00 61.33 C ATOM 1037 CD1 LEU A 62 1.145 6.648 5.081 1.00 53.34 C ATOM 1038 CD2 LEU A 62 -1.085 7.829 5.478 1.00 24.21 C ATOM 0 H LEU A 62 -0.285 5.624 8.407 1.00 62.23 H new ATOM 0 HA LEU A 62 -1.059 3.343 6.828 1.00 2.24 H new ATOM 0 HB2 LEU A 62 -0.915 4.909 4.936 1.00 72.30 H new ATOM 0 HB3 LEU A 62 -1.933 5.482 6.242 1.00 72.30 H new ATOM 0 HG LEU A 62 0.157 6.880 6.958 1.00 61.33 H new ATOM 0 HD11 LEU A 62 1.619 7.629 5.101 1.00 53.34 H new ATOM 0 HD12 LEU A 62 1.830 5.906 5.490 1.00 53.34 H new ATOM 0 HD13 LEU A 62 0.898 6.386 4.052 1.00 53.34 H new ATOM 0 HD21 LEU A 62 -0.533 8.769 5.474 1.00 24.21 H new ATOM 0 HD22 LEU A 62 -1.456 7.621 4.474 1.00 24.21 H new ATOM 0 HD23 LEU A 62 -1.926 7.905 6.167 1.00 24.21 H new ATOM 1050 N LYS A 63 2.106 3.994 7.095 1.00 42.14 N ATOM 1051 CA LYS A 63 3.435 3.399 6.865 1.00 21.34 C ATOM 1052 C LYS A 63 3.447 1.913 7.245 1.00 45.13 C ATOM 1053 O LYS A 63 4.196 1.147 6.657 1.00 12.45 O ATOM 1054 CB LYS A 63 4.572 4.161 7.608 1.00 1.50 C ATOM 1055 CG LYS A 63 5.119 5.382 6.843 1.00 23.22 C ATOM 1056 CD LYS A 63 6.256 6.100 7.601 1.00 13.41 C ATOM 1057 CE LYS A 63 7.462 5.188 7.870 1.00 41.22 C ATOM 1058 NZ LYS A 63 8.004 4.597 6.613 1.00 72.24 N ATOM 0 H LYS A 63 2.092 4.716 7.815 1.00 42.14 H new ATOM 0 HA LYS A 63 3.633 3.491 5.797 1.00 21.34 H new ATOM 0 HB2 LYS A 63 4.199 4.491 8.578 1.00 1.50 H new ATOM 0 HB3 LYS A 63 5.392 3.469 7.800 1.00 1.50 H new ATOM 0 HG2 LYS A 63 5.485 5.061 5.868 1.00 23.22 H new ATOM 0 HG3 LYS A 63 4.307 6.086 6.663 1.00 23.22 H new ATOM 0 HD2 LYS A 63 6.582 6.965 7.023 1.00 13.41 H new ATOM 0 HD3 LYS A 63 5.873 6.477 8.549 1.00 13.41 H new ATOM 0 HE2 LYS A 63 8.245 5.759 8.369 1.00 41.22 H new ATOM 0 HE3 LYS A 63 7.168 4.388 8.550 1.00 41.22 H new ATOM 0 HZ1 LYS A 63 9.041 4.545 6.673 1.00 72.24 H new ATOM 0 HZ2 LYS A 63 7.616 3.641 6.483 1.00 72.24 H new ATOM 0 HZ3 LYS A 63 7.734 5.193 5.805 1.00 72.24 H new ATOM 1072 N LYS A 64 2.587 1.500 8.201 1.00 42.34 N ATOM 1073 CA LYS A 64 2.460 0.085 8.573 1.00 2.11 C ATOM 1074 C LYS A 64 1.990 -0.762 7.373 1.00 51.43 C ATOM 1075 O LYS A 64 2.340 -1.929 7.283 1.00 2.11 O ATOM 1076 CB LYS A 64 1.509 -0.091 9.784 1.00 3.03 C ATOM 1077 CG LYS A 64 2.017 0.505 11.120 1.00 41.02 C ATOM 1078 CD LYS A 64 3.324 -0.164 11.656 1.00 45.15 C ATOM 1079 CE LYS A 64 4.635 0.536 11.246 1.00 54.21 C ATOM 1080 NZ LYS A 64 4.683 1.981 11.619 1.00 13.23 N ATOM 0 H LYS A 64 1.976 2.127 8.724 1.00 42.34 H new ATOM 0 HA LYS A 64 3.446 -0.272 8.869 1.00 2.11 H new ATOM 0 HB2 LYS A 64 0.551 0.369 9.542 1.00 3.03 H new ATOM 0 HB3 LYS A 64 1.324 -1.156 9.928 1.00 3.03 H new ATOM 0 HG2 LYS A 64 2.195 1.572 10.986 1.00 41.02 H new ATOM 0 HG3 LYS A 64 1.234 0.405 11.872 1.00 41.02 H new ATOM 0 HD2 LYS A 64 3.275 -0.200 12.744 1.00 45.15 H new ATOM 0 HD3 LYS A 64 3.356 -1.195 11.304 1.00 45.15 H new ATOM 0 HE2 LYS A 64 5.474 0.021 11.714 1.00 54.21 H new ATOM 0 HE3 LYS A 64 4.765 0.443 10.168 1.00 54.21 H new ATOM 0 HZ1 LYS A 64 5.656 2.333 11.519 1.00 13.23 H new ATOM 0 HZ2 LYS A 64 4.053 2.522 10.993 1.00 13.23 H new ATOM 0 HZ3 LYS A 64 4.373 2.095 12.605 1.00 13.23 H new ATOM 1094 N LEU A 65 1.250 -0.128 6.435 1.00 41.22 N ATOM 1095 CA LEU A 65 0.736 -0.795 5.219 1.00 3.24 C ATOM 1096 C LEU A 65 1.905 -1.242 4.314 1.00 1.04 C ATOM 1097 O LEU A 65 1.960 -2.390 3.865 1.00 43.20 O ATOM 1098 CB LEU A 65 -0.186 0.195 4.448 1.00 11.45 C ATOM 1099 CG LEU A 65 -1.429 0.743 5.223 1.00 2.31 C ATOM 1100 CD1 LEU A 65 -2.095 1.912 4.457 1.00 61.53 C ATOM 1101 CD2 LEU A 65 -2.439 -0.380 5.510 1.00 1.41 C ATOM 0 H LEU A 65 0.994 0.857 6.500 1.00 41.22 H new ATOM 0 HA LEU A 65 0.168 -1.680 5.506 1.00 3.24 H new ATOM 0 HB2 LEU A 65 0.418 1.044 4.129 1.00 11.45 H new ATOM 0 HB3 LEU A 65 -0.540 -0.302 3.545 1.00 11.45 H new ATOM 0 HG LEU A 65 -1.081 1.131 6.180 1.00 2.31 H new ATOM 0 HD11 LEU A 65 -2.956 2.272 5.020 1.00 61.53 H new ATOM 0 HD12 LEU A 65 -1.377 2.723 4.334 1.00 61.53 H new ATOM 0 HD13 LEU A 65 -2.422 1.565 3.477 1.00 61.53 H new ATOM 0 HD21 LEU A 65 -3.293 0.028 6.050 1.00 1.41 H new ATOM 0 HD22 LEU A 65 -2.778 -0.814 4.569 1.00 1.41 H new ATOM 0 HD23 LEU A 65 -1.963 -1.152 6.115 1.00 1.41 H new ATOM 1113 N LEU A 66 2.849 -0.312 4.093 1.00 10.15 N ATOM 1114 CA LEU A 66 4.014 -0.523 3.215 1.00 73.41 C ATOM 1115 C LEU A 66 5.137 -1.295 3.934 1.00 42.41 C ATOM 1116 O LEU A 66 5.960 -1.940 3.288 1.00 10.22 O ATOM 1117 CB LEU A 66 4.483 0.845 2.626 1.00 32.02 C ATOM 1118 CG LEU A 66 4.766 2.013 3.647 1.00 73.04 C ATOM 1119 CD1 LEU A 66 6.214 2.010 4.196 1.00 34.30 C ATOM 1120 CD2 LEU A 66 4.402 3.385 3.057 1.00 2.51 C ATOM 0 H LEU A 66 2.826 0.614 4.521 1.00 10.15 H new ATOM 0 HA LEU A 66 3.722 -1.157 2.377 1.00 73.41 H new ATOM 0 HB2 LEU A 66 5.393 0.671 2.052 1.00 32.02 H new ATOM 0 HB3 LEU A 66 3.724 1.188 1.923 1.00 32.02 H new ATOM 0 HG LEU A 66 4.113 1.824 4.499 1.00 73.04 H new ATOM 0 HD11 LEU A 66 6.341 2.839 4.892 1.00 34.30 H new ATOM 0 HD12 LEU A 66 6.405 1.069 4.713 1.00 34.30 H new ATOM 0 HD13 LEU A 66 6.917 2.119 3.370 1.00 34.30 H new ATOM 0 HD21 LEU A 66 4.611 4.164 3.791 1.00 2.51 H new ATOM 0 HD22 LEU A 66 4.994 3.564 2.159 1.00 2.51 H new ATOM 0 HD23 LEU A 66 3.342 3.402 2.802 1.00 2.51 H new ATOM 1132 N GLU A 67 5.138 -1.249 5.279 1.00 63.03 N ATOM 1133 CA GLU A 67 6.068 -2.046 6.117 1.00 43.32 C ATOM 1134 C GLU A 67 5.597 -3.514 6.191 1.00 63.34 C ATOM 1135 O GLU A 67 6.402 -4.420 6.448 1.00 55.33 O ATOM 1136 CB GLU A 67 6.231 -1.397 7.526 1.00 15.11 C ATOM 1137 CG GLU A 67 6.897 0.001 7.461 1.00 53.35 C ATOM 1138 CD GLU A 67 7.100 0.710 8.806 1.00 71.15 C ATOM 1139 OE1 GLU A 67 7.691 0.110 9.721 1.00 2.12 O ATOM 1140 OE2 GLU A 67 6.696 1.892 8.946 1.00 30.42 O ATOM 0 H GLU A 67 4.500 -0.663 5.818 1.00 63.03 H new ATOM 0 HA GLU A 67 7.056 -2.048 5.656 1.00 43.32 H new ATOM 0 HB2 GLU A 67 5.252 -1.308 7.997 1.00 15.11 H new ATOM 0 HB3 GLU A 67 6.830 -2.053 8.158 1.00 15.11 H new ATOM 0 HG2 GLU A 67 7.868 -0.103 6.977 1.00 53.35 H new ATOM 0 HG3 GLU A 67 6.289 0.642 6.822 1.00 53.35 H new ATOM 1147 N ARG A 68 4.284 -3.738 5.936 1.00 74.41 N ATOM 1148 CA ARG A 68 3.729 -5.087 5.712 1.00 23.43 C ATOM 1149 C ARG A 68 4.209 -5.630 4.351 1.00 23.43 C ATOM 1150 O ARG A 68 4.622 -6.790 4.262 1.00 3.01 O ATOM 1151 CB ARG A 68 2.166 -5.102 5.774 1.00 0.54 C ATOM 1152 CG ARG A 68 1.577 -4.926 7.192 1.00 12.11 C ATOM 1153 CD ARG A 68 0.065 -5.199 7.262 1.00 44.01 C ATOM 1154 NE ARG A 68 -0.429 -5.228 8.650 1.00 20.33 N ATOM 1155 CZ ARG A 68 -1.320 -6.109 9.144 1.00 50.33 C ATOM 1156 NH1 ARG A 68 -1.851 -7.063 8.376 1.00 63.12 N ATOM 1157 NH2 ARG A 68 -1.679 -6.025 10.415 1.00 14.41 N ATOM 0 H ARG A 68 3.589 -2.993 5.881 1.00 74.41 H new ATOM 0 HA ARG A 68 4.091 -5.729 6.515 1.00 23.43 H new ATOM 0 HB2 ARG A 68 1.782 -4.307 5.134 1.00 0.54 H new ATOM 0 HB3 ARG A 68 1.808 -6.045 5.360 1.00 0.54 H new ATOM 0 HG2 ARG A 68 2.092 -5.598 7.878 1.00 12.11 H new ATOM 0 HG3 ARG A 68 1.772 -3.910 7.535 1.00 12.11 H new ATOM 0 HD2 ARG A 68 -0.468 -4.429 6.704 1.00 44.01 H new ATOM 0 HD3 ARG A 68 -0.154 -6.152 6.780 1.00 44.01 H new ATOM 0 HE ARG A 68 -0.066 -4.522 9.290 1.00 20.33 H new ATOM 0 HH11 ARG A 68 -1.584 -7.135 7.394 1.00 63.12 H new ATOM 0 HH12 ARG A 68 -2.524 -7.720 8.771 1.00 63.12 H new ATOM 0 HH21 ARG A 68 -1.282 -5.298 11.010 1.00 14.41 H new ATOM 0 HH22 ARG A 68 -2.353 -6.687 10.799 1.00 14.41 H new ATOM 1171 N ILE A 69 4.170 -4.759 3.304 1.00 74.01 N ATOM 1172 CA ILE A 69 4.629 -5.105 1.932 1.00 14.11 C ATOM 1173 C ILE A 69 6.110 -5.528 1.962 1.00 52.31 C ATOM 1174 O ILE A 69 6.493 -6.492 1.305 1.00 3.43 O ATOM 1175 CB ILE A 69 4.453 -3.907 0.911 1.00 70.42 C ATOM 1176 CG1 ILE A 69 2.991 -3.370 0.931 1.00 75.43 C ATOM 1177 CG2 ILE A 69 4.865 -4.320 -0.531 1.00 11.24 C ATOM 1178 CD1 ILE A 69 2.736 -2.186 0.013 1.00 73.55 C ATOM 0 H ILE A 69 3.822 -3.804 3.388 1.00 74.01 H new ATOM 0 HA ILE A 69 4.004 -5.929 1.589 1.00 14.11 H new ATOM 0 HB ILE A 69 5.119 -3.105 1.230 1.00 70.42 H new ATOM 0 HG12 ILE A 69 2.317 -4.180 0.652 1.00 75.43 H new ATOM 0 HG13 ILE A 69 2.738 -3.082 1.951 1.00 75.43 H new ATOM 0 HG21 ILE A 69 4.731 -3.473 -1.204 1.00 11.24 H new ATOM 0 HG22 ILE A 69 5.911 -4.626 -0.537 1.00 11.24 H new ATOM 0 HG23 ILE A 69 4.242 -5.150 -0.864 1.00 11.24 H new ATOM 0 HD11 ILE A 69 1.693 -1.881 0.094 1.00 73.55 H new ATOM 0 HD12 ILE A 69 3.380 -1.356 0.303 1.00 73.55 H new ATOM 0 HD13 ILE A 69 2.952 -2.471 -1.017 1.00 73.55 H new ATOM 1190 N ARG A 70 6.906 -4.802 2.780 1.00 13.21 N ATOM 1191 CA ARG A 70 8.345 -5.073 3.001 1.00 43.30 C ATOM 1192 C ARG A 70 8.592 -6.540 3.372 1.00 1.03 C ATOM 1193 O ARG A 70 9.437 -7.211 2.770 1.00 45.15 O ATOM 1194 CB ARG A 70 8.881 -4.171 4.133 1.00 53.43 C ATOM 1195 CG ARG A 70 10.377 -4.366 4.471 1.00 44.32 C ATOM 1196 CD ARG A 70 10.812 -3.594 5.721 1.00 41.21 C ATOM 1197 NE ARG A 70 10.578 -2.149 5.589 1.00 13.12 N ATOM 1198 CZ ARG A 70 10.156 -1.337 6.569 1.00 54.44 C ATOM 1199 NH1 ARG A 70 9.902 -1.800 7.801 1.00 32.11 N ATOM 1200 NH2 ARG A 70 10.000 -0.051 6.320 1.00 11.51 N ATOM 0 H ARG A 70 6.563 -4.002 3.311 1.00 13.21 H new ATOM 0 HA ARG A 70 8.868 -4.859 2.069 1.00 43.30 H new ATOM 0 HB2 ARG A 70 8.720 -3.130 3.855 1.00 53.43 H new ATOM 0 HB3 ARG A 70 8.294 -4.355 5.033 1.00 53.43 H new ATOM 0 HG2 ARG A 70 10.575 -5.428 4.619 1.00 44.32 H new ATOM 0 HG3 ARG A 70 10.981 -4.044 3.623 1.00 44.32 H new ATOM 0 HD2 ARG A 70 10.268 -3.971 6.587 1.00 41.21 H new ATOM 0 HD3 ARG A 70 11.871 -3.774 5.907 1.00 41.21 H new ATOM 0 HE ARG A 70 10.751 -1.729 4.676 1.00 13.12 H new ATOM 0 HH11 ARG A 70 10.029 -2.790 8.010 1.00 32.11 H new ATOM 0 HH12 ARG A 70 9.582 -1.162 8.530 1.00 32.11 H new ATOM 0 HH21 ARG A 70 10.200 0.316 5.390 1.00 11.51 H new ATOM 0 HH22 ARG A 70 9.679 0.576 7.058 1.00 11.51 H new ATOM 1214 N GLU A 71 7.815 -7.019 4.361 1.00 43.35 N ATOM 1215 CA GLU A 71 7.876 -8.408 4.818 1.00 12.42 C ATOM 1216 C GLU A 71 7.535 -9.367 3.671 1.00 35.20 C ATOM 1217 O GLU A 71 8.184 -10.388 3.502 1.00 23.41 O ATOM 1218 CB GLU A 71 6.909 -8.631 6.009 1.00 34.33 C ATOM 1219 CG GLU A 71 7.244 -7.808 7.264 1.00 2.32 C ATOM 1220 CD GLU A 71 8.587 -8.194 7.917 1.00 1.22 C ATOM 1221 OE1 GLU A 71 9.622 -7.560 7.612 1.00 74.04 O ATOM 1222 OE2 GLU A 71 8.610 -9.142 8.735 1.00 75.43 O ATOM 0 H GLU A 71 7.131 -6.451 4.861 1.00 43.35 H new ATOM 0 HA GLU A 71 8.893 -8.614 5.152 1.00 12.42 H new ATOM 0 HB2 GLU A 71 5.896 -8.386 5.689 1.00 34.33 H new ATOM 0 HB3 GLU A 71 6.914 -9.689 6.272 1.00 34.33 H new ATOM 0 HG2 GLU A 71 7.269 -6.751 6.999 1.00 2.32 H new ATOM 0 HG3 GLU A 71 6.445 -7.934 7.995 1.00 2.32 H new ATOM 1229 N LYS A 72 6.551 -8.986 2.837 1.00 63.51 N ATOM 1230 CA LYS A 72 6.041 -9.875 1.779 1.00 53.14 C ATOM 1231 C LYS A 72 7.111 -10.054 0.678 1.00 72.31 C ATOM 1232 O LYS A 72 7.470 -11.179 0.332 1.00 2.32 O ATOM 1233 CB LYS A 72 4.705 -9.332 1.175 1.00 63.30 C ATOM 1234 CG LYS A 72 3.617 -8.949 2.210 1.00 64.52 C ATOM 1235 CD LYS A 72 3.341 -10.054 3.262 1.00 70.23 C ATOM 1236 CE LYS A 72 2.299 -9.629 4.316 1.00 45.02 C ATOM 1237 NZ LYS A 72 0.953 -9.416 3.724 1.00 64.50 N ATOM 0 H LYS A 72 6.096 -8.074 2.875 1.00 63.51 H new ATOM 0 HA LYS A 72 5.827 -10.848 2.222 1.00 53.14 H new ATOM 0 HB2 LYS A 72 4.930 -8.455 0.568 1.00 63.30 H new ATOM 0 HB3 LYS A 72 4.295 -10.087 0.505 1.00 63.30 H new ATOM 0 HG2 LYS A 72 3.922 -8.038 2.725 1.00 64.52 H new ATOM 0 HG3 LYS A 72 2.690 -8.722 1.683 1.00 64.52 H new ATOM 0 HD2 LYS A 72 2.992 -10.953 2.755 1.00 70.23 H new ATOM 0 HD3 LYS A 72 4.274 -10.313 3.763 1.00 70.23 H new ATOM 0 HE2 LYS A 72 2.236 -10.394 5.090 1.00 45.02 H new ATOM 0 HE3 LYS A 72 2.630 -8.711 4.801 1.00 45.02 H new ATOM 0 HZ1 LYS A 72 0.223 -9.650 4.427 1.00 64.50 H new ATOM 0 HZ2 LYS A 72 0.853 -8.421 3.439 1.00 64.50 H new ATOM 0 HZ3 LYS A 72 0.840 -10.028 2.891 1.00 64.50 H new ATOM 1251 N ILE A 73 7.667 -8.922 0.205 1.00 62.33 N ATOM 1252 CA ILE A 73 8.554 -8.879 -0.977 1.00 71.11 C ATOM 1253 C ILE A 73 9.975 -9.417 -0.666 1.00 14.31 C ATOM 1254 O ILE A 73 10.593 -10.075 -1.515 1.00 2.34 O ATOM 1255 CB ILE A 73 8.630 -7.415 -1.587 1.00 73.52 C ATOM 1256 CG1 ILE A 73 9.258 -6.385 -0.586 1.00 3.11 C ATOM 1257 CG2 ILE A 73 7.225 -6.943 -2.029 1.00 32.34 C ATOM 1258 CD1 ILE A 73 9.391 -4.964 -1.120 1.00 5.02 C ATOM 0 H ILE A 73 7.514 -8.008 0.632 1.00 62.33 H new ATOM 0 HA ILE A 73 8.113 -9.540 -1.723 1.00 71.11 H new ATOM 0 HB ILE A 73 9.286 -7.462 -2.457 1.00 73.52 H new ATOM 0 HG12 ILE A 73 8.648 -6.362 0.317 1.00 3.11 H new ATOM 0 HG13 ILE A 73 10.246 -6.741 -0.295 1.00 3.11 H new ATOM 0 HG21 ILE A 73 7.293 -5.938 -2.445 1.00 32.34 H new ATOM 0 HG22 ILE A 73 6.834 -7.623 -2.786 1.00 32.34 H new ATOM 0 HG23 ILE A 73 6.556 -6.935 -1.168 1.00 32.34 H new ATOM 0 HD11 ILE A 73 9.835 -4.328 -0.355 1.00 5.02 H new ATOM 0 HD12 ILE A 73 10.028 -4.966 -2.005 1.00 5.02 H new ATOM 0 HD13 ILE A 73 8.405 -4.581 -1.383 1.00 5.02 H new ATOM 1270 N GLU A 74 10.475 -9.155 0.562 1.00 60.11 N ATOM 1271 CA GLU A 74 11.836 -9.565 0.977 1.00 33.20 C ATOM 1272 C GLU A 74 11.851 -11.028 1.459 1.00 41.01 C ATOM 1273 O GLU A 74 12.743 -11.796 1.086 1.00 3.33 O ATOM 1274 CB GLU A 74 12.389 -8.633 2.085 1.00 41.44 C ATOM 1275 CG GLU A 74 12.550 -7.147 1.682 1.00 31.21 C ATOM 1276 CD GLU A 74 13.218 -6.295 2.778 1.00 51.32 C ATOM 1277 OE1 GLU A 74 12.850 -6.445 3.961 1.00 11.35 O ATOM 1278 OE2 GLU A 74 14.119 -5.479 2.471 1.00 61.11 O ATOM 0 H GLU A 74 9.954 -8.660 1.286 1.00 60.11 H new ATOM 0 HA GLU A 74 12.482 -9.481 0.103 1.00 33.20 H new ATOM 0 HB2 GLU A 74 11.725 -8.688 2.948 1.00 41.44 H new ATOM 0 HB3 GLU A 74 13.359 -9.013 2.405 1.00 41.44 H new ATOM 0 HG2 GLU A 74 13.144 -7.086 0.770 1.00 31.21 H new ATOM 0 HG3 GLU A 74 11.569 -6.730 1.453 1.00 31.21 H new ATOM 1285 N ARG A 75 10.852 -11.410 2.286 1.00 2.31 N ATOM 1286 CA ARG A 75 10.781 -12.768 2.880 1.00 5.32 C ATOM 1287 C ARG A 75 10.285 -13.805 1.855 1.00 32.03 C ATOM 1288 O ARG A 75 10.475 -15.012 2.055 1.00 72.25 O ATOM 1289 CB ARG A 75 9.901 -12.765 4.157 1.00 70.44 C ATOM 1290 CG ARG A 75 10.407 -11.804 5.262 1.00 62.04 C ATOM 1291 CD ARG A 75 9.431 -11.684 6.442 1.00 11.13 C ATOM 1292 NE ARG A 75 9.213 -12.969 7.134 1.00 60.02 N ATOM 1293 CZ ARG A 75 8.579 -13.117 8.312 1.00 15.34 C ATOM 1294 NH1 ARG A 75 8.094 -12.061 8.969 1.00 14.04 N ATOM 1295 NH2 ARG A 75 8.423 -14.338 8.824 1.00 22.23 N ATOM 0 H ARG A 75 10.083 -10.798 2.558 1.00 2.31 H new ATOM 0 HA ARG A 75 11.790 -13.060 3.171 1.00 5.32 H new ATOM 0 HB2 ARG A 75 8.883 -12.487 3.885 1.00 70.44 H new ATOM 0 HB3 ARG A 75 9.858 -13.777 4.560 1.00 70.44 H new ATOM 0 HG2 ARG A 75 11.371 -12.156 5.629 1.00 62.04 H new ATOM 0 HG3 ARG A 75 10.571 -10.817 4.831 1.00 62.04 H new ATOM 0 HD2 ARG A 75 9.816 -10.954 7.154 1.00 11.13 H new ATOM 0 HD3 ARG A 75 8.475 -11.304 6.081 1.00 11.13 H new ATOM 0 HE ARG A 75 9.571 -13.811 6.684 1.00 60.02 H new ATOM 0 HH11 ARG A 75 8.201 -11.125 8.579 1.00 14.04 H new ATOM 0 HH12 ARG A 75 7.616 -12.191 9.861 1.00 14.04 H new ATOM 0 HH21 ARG A 75 8.783 -15.151 8.324 1.00 22.23 H new ATOM 0 HH22 ARG A 75 7.944 -14.459 9.716 1.00 22.23 H new ATOM 1309 N GLU A 76 9.637 -13.340 0.769 1.00 75.23 N ATOM 1310 CA GLU A 76 9.402 -14.181 -0.418 1.00 61.34 C ATOM 1311 C GLU A 76 10.688 -14.247 -1.262 1.00 21.32 C ATOM 1312 O GLU A 76 11.083 -15.316 -1.742 1.00 22.42 O ATOM 1313 CB GLU A 76 8.245 -13.619 -1.281 1.00 34.44 C ATOM 1314 CG GLU A 76 7.851 -14.494 -2.485 1.00 64.03 C ATOM 1315 CD GLU A 76 7.261 -15.858 -2.081 1.00 64.14 C ATOM 1316 OE1 GLU A 76 6.035 -15.941 -1.847 1.00 74.32 O ATOM 1317 OE2 GLU A 76 8.014 -16.853 -2.008 1.00 12.20 O ATOM 0 H GLU A 76 9.269 -12.392 0.690 1.00 75.23 H new ATOM 0 HA GLU A 76 9.124 -15.180 -0.082 1.00 61.34 H new ATOM 0 HB2 GLU A 76 7.369 -13.485 -0.646 1.00 34.44 H new ATOM 0 HB3 GLU A 76 8.529 -12.632 -1.645 1.00 34.44 H new ATOM 0 HG2 GLU A 76 7.123 -13.957 -3.093 1.00 64.03 H new ATOM 0 HG3 GLU A 76 8.729 -14.657 -3.110 1.00 64.03 H new ATOM 1324 N GLY A 77 11.323 -13.076 -1.448 1.00 74.01 N ATOM 1325 CA GLY A 77 12.502 -12.949 -2.304 1.00 32.34 C ATOM 1326 C GLY A 77 12.124 -12.658 -3.754 1.00 72.12 C ATOM 1327 O GLY A 77 12.719 -11.773 -4.384 1.00 42.32 O ATOM 0 H GLY A 77 11.032 -12.202 -1.011 1.00 74.01 H new ATOM 0 HA2 GLY A 77 13.140 -12.149 -1.927 1.00 32.34 H new ATOM 0 HA3 GLY A 77 13.085 -13.869 -2.258 1.00 32.34 H new ATOM 1331 N SER A 78 11.140 -13.429 -4.275 1.00 54.32 N ATOM 1332 CA SER A 78 10.558 -13.238 -5.613 1.00 51.23 C ATOM 1333 C SER A 78 10.010 -11.805 -5.765 1.00 5.34 C ATOM 1334 O SER A 78 9.194 -11.356 -4.947 1.00 75.13 O ATOM 1335 CB SER A 78 9.425 -14.276 -5.844 1.00 70.54 C ATOM 1336 OG SER A 78 8.829 -14.155 -7.130 1.00 61.21 O ATOM 0 H SER A 78 10.727 -14.210 -3.766 1.00 54.32 H new ATOM 0 HA SER A 78 11.337 -13.387 -6.361 1.00 51.23 H new ATOM 0 HB2 SER A 78 9.829 -15.282 -5.727 1.00 70.54 H new ATOM 0 HB3 SER A 78 8.659 -14.149 -5.079 1.00 70.54 H new ATOM 0 HG SER A 78 7.908 -14.487 -7.096 1.00 61.21 H new ATOM 1342 N SER A 79 10.464 -11.114 -6.827 1.00 25.24 N ATOM 1343 CA SER A 79 10.065 -9.727 -7.128 1.00 14.11 C ATOM 1344 C SER A 79 8.741 -9.684 -7.908 1.00 13.40 C ATOM 1345 O SER A 79 8.366 -8.635 -8.434 1.00 25.52 O ATOM 1346 CB SER A 79 11.183 -9.034 -7.933 1.00 62.30 C ATOM 1347 OG SER A 79 11.370 -9.643 -9.204 1.00 5.11 O ATOM 0 H SER A 79 11.121 -11.504 -7.503 1.00 25.24 H new ATOM 0 HA SER A 79 9.912 -9.199 -6.187 1.00 14.11 H new ATOM 0 HB2 SER A 79 10.936 -7.981 -8.067 1.00 62.30 H new ATOM 0 HB3 SER A 79 12.115 -9.074 -7.370 1.00 62.30 H new ATOM 0 HG SER A 79 11.220 -8.980 -9.910 1.00 5.11 H new ATOM 1353 N GLU A 80 8.046 -10.836 -7.976 1.00 53.21 N ATOM 1354 CA GLU A 80 6.731 -10.951 -8.602 1.00 33.40 C ATOM 1355 C GLU A 80 5.683 -10.293 -7.683 1.00 44.14 C ATOM 1356 O GLU A 80 4.985 -10.980 -6.936 1.00 14.24 O ATOM 1357 CB GLU A 80 6.395 -12.456 -8.861 1.00 41.32 C ATOM 1358 CG GLU A 80 5.274 -12.696 -9.891 1.00 32.22 C ATOM 1359 CD GLU A 80 5.623 -12.152 -11.294 1.00 53.31 C ATOM 1360 OE1 GLU A 80 6.196 -12.907 -12.117 1.00 63.11 O ATOM 1361 OE2 GLU A 80 5.331 -10.968 -11.579 1.00 4.03 O ATOM 0 H GLU A 80 8.392 -11.716 -7.592 1.00 53.21 H new ATOM 0 HA GLU A 80 6.725 -10.439 -9.564 1.00 33.40 H new ATOM 0 HB2 GLU A 80 7.298 -12.963 -9.202 1.00 41.32 H new ATOM 0 HB3 GLU A 80 6.107 -12.918 -7.917 1.00 41.32 H new ATOM 0 HG2 GLU A 80 5.074 -13.765 -9.960 1.00 32.22 H new ATOM 0 HG3 GLU A 80 4.357 -12.222 -9.540 1.00 32.22 H new ATOM 1368 N VAL A 81 5.621 -8.951 -7.711 1.00 61.24 N ATOM 1369 CA VAL A 81 4.765 -8.161 -6.810 1.00 61.24 C ATOM 1370 C VAL A 81 4.092 -6.993 -7.567 1.00 4.52 C ATOM 1371 O VAL A 81 4.755 -6.130 -8.158 1.00 34.34 O ATOM 1372 CB VAL A 81 5.546 -7.651 -5.533 1.00 13.42 C ATOM 1373 CG1 VAL A 81 6.850 -6.910 -5.894 1.00 53.34 C ATOM 1374 CG2 VAL A 81 4.629 -6.788 -4.624 1.00 60.05 C ATOM 0 H VAL A 81 6.164 -8.382 -8.361 1.00 61.24 H new ATOM 0 HA VAL A 81 3.980 -8.826 -6.449 1.00 61.24 H new ATOM 0 HB VAL A 81 5.842 -8.535 -4.968 1.00 13.42 H new ATOM 0 HG11 VAL A 81 7.346 -6.581 -4.981 1.00 53.34 H new ATOM 0 HG12 VAL A 81 7.510 -7.581 -6.444 1.00 53.34 H new ATOM 0 HG13 VAL A 81 6.617 -6.043 -6.512 1.00 53.34 H new ATOM 0 HG21 VAL A 81 5.192 -6.451 -3.754 1.00 60.05 H new ATOM 0 HG22 VAL A 81 4.273 -5.923 -5.183 1.00 60.05 H new ATOM 0 HG23 VAL A 81 3.777 -7.384 -4.296 1.00 60.05 H new ATOM 1384 N GLU A 82 2.756 -7.043 -7.570 1.00 42.10 N ATOM 1385 CA GLU A 82 1.865 -6.018 -8.113 1.00 61.44 C ATOM 1386 C GLU A 82 1.058 -5.454 -6.933 1.00 32.45 C ATOM 1387 O GLU A 82 0.258 -6.178 -6.340 1.00 54.30 O ATOM 1388 CB GLU A 82 0.914 -6.681 -9.149 1.00 72.31 C ATOM 1389 CG GLU A 82 -0.080 -5.721 -9.829 1.00 25.33 C ATOM 1390 CD GLU A 82 -1.167 -6.457 -10.628 1.00 34.33 C ATOM 1391 OE1 GLU A 82 -2.127 -6.959 -9.999 1.00 31.12 O ATOM 1392 OE2 GLU A 82 -1.073 -6.534 -11.875 1.00 74.31 O ATOM 0 H GLU A 82 2.246 -7.834 -7.177 1.00 42.10 H new ATOM 0 HA GLU A 82 2.418 -5.221 -8.609 1.00 61.44 H new ATOM 0 HB2 GLU A 82 1.518 -7.160 -9.920 1.00 72.31 H new ATOM 0 HB3 GLU A 82 0.351 -7.469 -8.650 1.00 72.31 H new ATOM 0 HG2 GLU A 82 -0.553 -5.097 -9.070 1.00 25.33 H new ATOM 0 HG3 GLU A 82 0.465 -5.053 -10.496 1.00 25.33 H new ATOM 1399 N VAL A 83 1.292 -4.195 -6.551 1.00 32.34 N ATOM 1400 CA VAL A 83 0.563 -3.568 -5.433 1.00 23.54 C ATOM 1401 C VAL A 83 -0.570 -2.701 -5.993 1.00 11.50 C ATOM 1402 O VAL A 83 -0.320 -1.715 -6.677 1.00 63.14 O ATOM 1403 CB VAL A 83 1.494 -2.700 -4.500 1.00 42.12 C ATOM 1404 CG1 VAL A 83 0.694 -2.179 -3.278 1.00 62.11 C ATOM 1405 CG2 VAL A 83 2.742 -3.501 -4.055 1.00 34.43 C ATOM 0 H VAL A 83 1.979 -3.586 -6.996 1.00 32.34 H new ATOM 0 HA VAL A 83 0.162 -4.371 -4.814 1.00 23.54 H new ATOM 0 HB VAL A 83 1.846 -1.840 -5.069 1.00 42.12 H new ATOM 0 HG11 VAL A 83 1.348 -1.582 -2.643 1.00 62.11 H new ATOM 0 HG12 VAL A 83 -0.137 -1.564 -3.623 1.00 62.11 H new ATOM 0 HG13 VAL A 83 0.308 -3.024 -2.708 1.00 62.11 H new ATOM 0 HG21 VAL A 83 3.365 -2.878 -3.413 1.00 34.43 H new ATOM 0 HG22 VAL A 83 2.428 -4.388 -3.505 1.00 34.43 H new ATOM 0 HG23 VAL A 83 3.313 -3.802 -4.933 1.00 34.43 H new ATOM 1415 N ASN A 84 -1.811 -3.106 -5.706 1.00 72.44 N ATOM 1416 CA ASN A 84 -3.023 -2.396 -6.122 1.00 41.31 C ATOM 1417 C ASN A 84 -3.525 -1.566 -4.938 1.00 21.44 C ATOM 1418 O ASN A 84 -3.995 -2.125 -3.940 1.00 64.20 O ATOM 1419 CB ASN A 84 -4.131 -3.412 -6.541 1.00 53.24 C ATOM 1420 CG ASN A 84 -3.876 -4.196 -7.833 1.00 30.03 C ATOM 1421 OD1 ASN A 84 -4.814 -4.544 -8.547 1.00 74.32 O ATOM 1422 ND2 ASN A 84 -2.631 -4.521 -8.140 1.00 30.24 N ATOM 0 H ASN A 84 -2.004 -3.951 -5.169 1.00 72.44 H new ATOM 0 HA ASN A 84 -2.796 -1.755 -6.974 1.00 41.31 H new ATOM 0 HB2 ASN A 84 -4.267 -4.126 -5.728 1.00 53.24 H new ATOM 0 HB3 ASN A 84 -5.070 -2.870 -6.649 1.00 53.24 H new ATOM 0 HD21 ASN A 84 -2.439 -5.068 -8.979 1.00 30.24 H new ATOM 0 HD22 ASN A 84 -1.863 -4.225 -7.537 1.00 30.24 H new ATOM 1429 N VAL A 85 -3.382 -0.242 -5.032 1.00 33.24 N ATOM 1430 CA VAL A 85 -3.925 0.693 -4.039 1.00 44.30 C ATOM 1431 C VAL A 85 -5.302 1.167 -4.535 1.00 3.41 C ATOM 1432 O VAL A 85 -5.378 1.901 -5.518 1.00 34.51 O ATOM 1433 CB VAL A 85 -2.957 1.919 -3.806 1.00 4.44 C ATOM 1434 CG1 VAL A 85 -3.507 2.884 -2.722 1.00 32.13 C ATOM 1435 CG2 VAL A 85 -1.526 1.435 -3.458 1.00 75.51 C ATOM 0 H VAL A 85 -2.887 0.214 -5.798 1.00 33.24 H new ATOM 0 HA VAL A 85 -4.024 0.188 -3.078 1.00 44.30 H new ATOM 0 HB VAL A 85 -2.904 2.480 -4.739 1.00 4.44 H new ATOM 0 HG11 VAL A 85 -2.814 3.715 -2.589 1.00 32.13 H new ATOM 0 HG12 VAL A 85 -4.478 3.268 -3.035 1.00 32.13 H new ATOM 0 HG13 VAL A 85 -3.616 2.348 -1.779 1.00 32.13 H new ATOM 0 HG21 VAL A 85 -0.878 2.298 -3.302 1.00 75.51 H new ATOM 0 HG22 VAL A 85 -1.556 0.835 -2.549 1.00 75.51 H new ATOM 0 HG23 VAL A 85 -1.136 0.832 -4.278 1.00 75.51 H new ATOM 1445 N HIS A 86 -6.382 0.693 -3.887 1.00 64.30 N ATOM 1446 CA HIS A 86 -7.772 1.024 -4.263 1.00 64.54 C ATOM 1447 C HIS A 86 -8.285 2.085 -3.275 1.00 12.04 C ATOM 1448 O HIS A 86 -8.369 1.804 -2.080 1.00 63.01 O ATOM 1449 CB HIS A 86 -8.703 -0.232 -4.199 1.00 4.33 C ATOM 1450 CG HIS A 86 -8.141 -1.509 -4.781 1.00 44.03 C ATOM 1451 ND1 HIS A 86 -8.450 -1.969 -6.042 1.00 53.45 N ATOM 1452 CD2 HIS A 86 -7.344 -2.462 -4.230 1.00 75.22 C ATOM 1453 CE1 HIS A 86 -7.880 -3.142 -6.234 1.00 71.21 C ATOM 1454 NE2 HIS A 86 -7.205 -3.463 -5.151 1.00 42.31 N ATOM 0 H HIS A 86 -6.316 0.067 -3.084 1.00 64.30 H new ATOM 0 HA HIS A 86 -7.785 1.392 -5.289 1.00 64.54 H new ATOM 0 HB2 HIS A 86 -8.960 -0.415 -3.156 1.00 4.33 H new ATOM 0 HB3 HIS A 86 -9.631 0.003 -4.720 1.00 4.33 H new ATOM 0 HD2 HIS A 86 -6.902 -2.434 -3.245 1.00 75.22 H new ATOM 0 HE1 HIS A 86 -7.955 -3.740 -7.130 1.00 71.21 H new ATOM 0 HE2 HIS A 86 -6.666 -4.319 -5.020 1.00 42.31 H new ATOM 1463 N SER A 87 -8.599 3.294 -3.755 1.00 42.33 N ATOM 1464 CA SER A 87 -9.099 4.380 -2.897 1.00 1.14 C ATOM 1465 C SER A 87 -10.154 5.186 -3.667 1.00 43.32 C ATOM 1466 O SER A 87 -9.836 5.846 -4.668 1.00 52.11 O ATOM 1467 CB SER A 87 -7.927 5.266 -2.422 1.00 1.55 C ATOM 1468 OG SER A 87 -8.329 6.144 -1.389 1.00 42.10 O ATOM 0 H SER A 87 -8.516 3.548 -4.739 1.00 42.33 H new ATOM 0 HA SER A 87 -9.571 3.966 -2.006 1.00 1.14 H new ATOM 0 HB2 SER A 87 -7.112 4.635 -2.068 1.00 1.55 H new ATOM 0 HB3 SER A 87 -7.541 5.843 -3.262 1.00 1.55 H new ATOM 0 HG SER A 87 -7.699 6.079 -0.641 1.00 42.10 H new ATOM 1474 N GLY A 88 -11.416 5.081 -3.202 1.00 4.12 N ATOM 1475 CA GLY A 88 -12.570 5.648 -3.905 1.00 34.54 C ATOM 1476 C GLY A 88 -12.864 4.935 -5.228 1.00 42.14 C ATOM 1477 O GLY A 88 -13.473 5.516 -6.132 1.00 62.24 O ATOM 0 H GLY A 88 -11.656 4.603 -2.334 1.00 4.12 H new ATOM 0 HA2 GLY A 88 -13.448 5.588 -3.262 1.00 34.54 H new ATOM 0 HA3 GLY A 88 -12.389 6.705 -4.099 1.00 34.54 H new ATOM 1481 N GLY A 89 -12.414 3.664 -5.326 1.00 21.30 N ATOM 1482 CA GLY A 89 -12.559 2.850 -6.542 1.00 10.10 C ATOM 1483 C GLY A 89 -11.367 2.951 -7.491 1.00 73.23 C ATOM 1484 O GLY A 89 -11.268 2.170 -8.443 1.00 12.03 O ATOM 0 H GLY A 89 -11.942 3.179 -4.563 1.00 21.30 H new ATOM 0 HA2 GLY A 89 -12.698 1.807 -6.257 1.00 10.10 H new ATOM 0 HA3 GLY A 89 -13.461 3.159 -7.071 1.00 10.10 H new ATOM 1488 N GLN A 90 -10.464 3.910 -7.235 1.00 22.14 N ATOM 1489 CA GLN A 90 -9.298 4.170 -8.098 1.00 22.14 C ATOM 1490 C GLN A 90 -8.134 3.235 -7.708 1.00 50.01 C ATOM 1491 O GLN A 90 -7.675 3.273 -6.568 1.00 0.34 O ATOM 1492 CB GLN A 90 -8.876 5.655 -7.948 1.00 45.30 C ATOM 1493 CG GLN A 90 -9.969 6.682 -8.314 1.00 13.32 C ATOM 1494 CD GLN A 90 -9.601 8.133 -7.958 1.00 31.30 C ATOM 1495 OE1 GLN A 90 -9.988 9.072 -8.658 1.00 31.32 O ATOM 1496 NE2 GLN A 90 -8.904 8.335 -6.840 1.00 42.43 N ATOM 0 H GLN A 90 -10.520 4.527 -6.425 1.00 22.14 H new ATOM 0 HA GLN A 90 -9.560 3.975 -9.138 1.00 22.14 H new ATOM 0 HB2 GLN A 90 -8.567 5.827 -6.917 1.00 45.30 H new ATOM 0 HB3 GLN A 90 -8.004 5.835 -8.577 1.00 45.30 H new ATOM 0 HG2 GLN A 90 -10.170 6.620 -9.384 1.00 13.32 H new ATOM 0 HG3 GLN A 90 -10.892 6.415 -7.800 1.00 13.32 H new ATOM 0 HE21 GLN A 90 -8.596 7.540 -6.280 1.00 42.43 H new ATOM 0 HE22 GLN A 90 -8.678 9.285 -6.544 1.00 42.43 H new ATOM 1505 N THR A 91 -7.652 2.432 -8.673 1.00 33.14 N ATOM 1506 CA THR A 91 -6.601 1.422 -8.459 1.00 73.34 C ATOM 1507 C THR A 91 -5.295 1.868 -9.138 1.00 52.03 C ATOM 1508 O THR A 91 -5.294 2.205 -10.328 1.00 55.33 O ATOM 1509 CB THR A 91 -7.056 0.038 -9.029 1.00 43.12 C ATOM 1510 OG1 THR A 91 -8.290 -0.348 -8.405 1.00 72.23 O ATOM 1511 CG2 THR A 91 -6.006 -1.069 -8.807 1.00 22.11 C ATOM 0 H THR A 91 -7.986 2.467 -9.636 1.00 33.14 H new ATOM 0 HA THR A 91 -6.426 1.320 -7.388 1.00 73.34 H new ATOM 0 HB THR A 91 -7.184 0.155 -10.105 1.00 43.12 H new ATOM 0 HG1 THR A 91 -8.099 -0.872 -7.599 1.00 72.23 H new ATOM 0 HG21 THR A 91 -6.374 -2.008 -9.222 1.00 22.11 H new ATOM 0 HG22 THR A 91 -5.076 -0.793 -9.303 1.00 22.11 H new ATOM 0 HG23 THR A 91 -5.826 -1.190 -7.739 1.00 22.11 H new ATOM 1519 N TRP A 92 -4.198 1.889 -8.364 1.00 72.21 N ATOM 1520 CA TRP A 92 -2.854 2.219 -8.863 1.00 64.32 C ATOM 1521 C TRP A 92 -1.942 0.993 -8.668 1.00 4.33 C ATOM 1522 O TRP A 92 -1.717 0.562 -7.534 1.00 3.04 O ATOM 1523 CB TRP A 92 -2.312 3.463 -8.109 1.00 35.42 C ATOM 1524 CG TRP A 92 -3.215 4.684 -8.229 1.00 33.12 C ATOM 1525 CD1 TRP A 92 -3.342 5.514 -9.311 1.00 21.13 C ATOM 1526 CD2 TRP A 92 -4.130 5.197 -7.236 1.00 52.22 C ATOM 1527 NE1 TRP A 92 -4.257 6.503 -9.045 1.00 33.31 N ATOM 1528 CE2 TRP A 92 -4.750 6.332 -7.782 1.00 44.01 C ATOM 1529 CE3 TRP A 92 -4.473 4.811 -5.940 1.00 21.12 C ATOM 1530 CZ2 TRP A 92 -5.693 7.081 -7.081 1.00 14.53 C ATOM 1531 CZ3 TRP A 92 -5.410 5.548 -5.245 1.00 73.41 C ATOM 1532 CH2 TRP A 92 -6.009 6.674 -5.814 1.00 51.22 C ATOM 0 H TRP A 92 -4.219 1.676 -7.367 1.00 72.21 H new ATOM 0 HA TRP A 92 -2.885 2.463 -9.925 1.00 64.32 H new ATOM 0 HB2 TRP A 92 -2.188 3.214 -7.055 1.00 35.42 H new ATOM 0 HB3 TRP A 92 -1.324 3.712 -8.496 1.00 35.42 H new ATOM 0 HD1 TRP A 92 -2.801 5.406 -10.239 1.00 21.13 H new ATOM 0 HE1 TRP A 92 -4.526 7.247 -9.688 1.00 33.31 H new ATOM 0 HE3 TRP A 92 -4.011 3.946 -5.486 1.00 21.12 H new ATOM 0 HZ2 TRP A 92 -6.157 7.951 -7.522 1.00 14.53 H new ATOM 0 HZ3 TRP A 92 -5.685 5.249 -4.244 1.00 73.41 H new ATOM 0 HH2 TRP A 92 -6.735 7.234 -5.243 1.00 51.22 H new ATOM 1543 N THR A 93 -1.453 0.428 -9.790 1.00 24.34 N ATOM 1544 CA THR A 93 -0.690 -0.839 -9.811 1.00 52.44 C ATOM 1545 C THR A 93 0.841 -0.589 -9.896 1.00 31.13 C ATOM 1546 O THR A 93 1.360 -0.202 -10.951 1.00 72.44 O ATOM 1547 CB THR A 93 -1.174 -1.741 -11.006 1.00 44.50 C ATOM 1548 OG1 THR A 93 -1.116 -1.001 -12.239 1.00 60.54 O ATOM 1549 CG2 THR A 93 -2.613 -2.256 -10.798 1.00 54.21 C ATOM 0 H THR A 93 -1.577 0.840 -10.715 1.00 24.34 H new ATOM 0 HA THR A 93 -0.880 -1.360 -8.873 1.00 52.44 H new ATOM 0 HB THR A 93 -0.506 -2.601 -11.049 1.00 44.50 H new ATOM 0 HG1 THR A 93 -0.299 -0.460 -12.258 1.00 60.54 H new ATOM 0 HG21 THR A 93 -2.905 -2.874 -11.647 1.00 54.21 H new ATOM 0 HG22 THR A 93 -2.659 -2.849 -9.885 1.00 54.21 H new ATOM 0 HG23 THR A 93 -3.294 -1.409 -10.715 1.00 54.21 H new ATOM 1557 N PHE A 94 1.550 -0.803 -8.768 1.00 21.55 N ATOM 1558 CA PHE A 94 3.021 -0.675 -8.675 1.00 73.04 C ATOM 1559 C PHE A 94 3.674 -2.042 -8.950 1.00 14.44 C ATOM 1560 O PHE A 94 3.468 -2.993 -8.192 1.00 1.04 O ATOM 1561 CB PHE A 94 3.419 -0.156 -7.266 1.00 0.32 C ATOM 1562 CG PHE A 94 2.838 1.219 -6.930 1.00 64.24 C ATOM 1563 CD1 PHE A 94 1.585 1.349 -6.324 1.00 13.04 C ATOM 1564 CD2 PHE A 94 3.547 2.383 -7.230 1.00 63.01 C ATOM 1565 CE1 PHE A 94 1.066 2.597 -6.034 1.00 3.43 C ATOM 1566 CE2 PHE A 94 3.024 3.627 -6.940 1.00 33.20 C ATOM 1567 CZ PHE A 94 1.786 3.734 -6.341 1.00 1.44 C ATOM 0 H PHE A 94 1.113 -1.072 -7.886 1.00 21.55 H new ATOM 0 HA PHE A 94 3.372 0.040 -9.419 1.00 73.04 H new ATOM 0 HB2 PHE A 94 3.086 -0.874 -6.517 1.00 0.32 H new ATOM 0 HB3 PHE A 94 4.506 -0.107 -7.200 1.00 0.32 H new ATOM 0 HD1 PHE A 94 1.016 0.464 -6.080 1.00 13.04 H new ATOM 0 HD2 PHE A 94 4.519 2.309 -7.696 1.00 63.01 H new ATOM 0 HE1 PHE A 94 0.096 2.683 -5.567 1.00 3.43 H new ATOM 0 HE2 PHE A 94 3.585 4.518 -7.182 1.00 33.20 H new ATOM 0 HZ PHE A 94 1.380 4.708 -6.112 1.00 1.44 H new ATOM 1577 N ASN A 95 4.445 -2.132 -10.047 1.00 72.21 N ATOM 1578 CA ASN A 95 5.068 -3.395 -10.507 1.00 73.50 C ATOM 1579 C ASN A 95 6.578 -3.203 -10.708 1.00 64.42 C ATOM 1580 O ASN A 95 6.996 -2.419 -11.572 1.00 73.23 O ATOM 1581 CB ASN A 95 4.422 -3.846 -11.849 1.00 43.01 C ATOM 1582 CG ASN A 95 2.997 -4.364 -11.694 1.00 14.14 C ATOM 1583 OD1 ASN A 95 2.769 -5.568 -11.614 1.00 52.14 O ATOM 1584 ND2 ASN A 95 2.028 -3.460 -11.620 1.00 41.05 N ATOM 0 H ASN A 95 4.657 -1.333 -10.644 1.00 72.21 H new ATOM 0 HA ASN A 95 4.904 -4.160 -9.748 1.00 73.50 H new ATOM 0 HB2 ASN A 95 4.421 -3.006 -12.543 1.00 43.01 H new ATOM 0 HB3 ASN A 95 5.038 -4.627 -12.295 1.00 43.01 H new ATOM 0 HD21 ASN A 95 1.061 -3.758 -11.493 1.00 41.05 H new ATOM 0 HD22 ASN A 95 2.250 -2.467 -11.690 1.00 41.05 H new ATOM 1591 N GLU A 96 7.386 -3.891 -9.882 1.00 62.45 N ATOM 1592 CA GLU A 96 8.829 -4.054 -10.130 1.00 40.40 C ATOM 1593 C GLU A 96 9.048 -5.408 -10.831 1.00 43.14 C ATOM 1594 O GLU A 96 8.966 -6.475 -10.211 1.00 1.03 O ATOM 1595 CB GLU A 96 9.655 -3.941 -8.812 1.00 10.33 C ATOM 1596 CG GLU A 96 9.169 -4.847 -7.664 1.00 54.53 C ATOM 1597 CD GLU A 96 10.153 -4.908 -6.495 1.00 43.21 C ATOM 1598 OE1 GLU A 96 10.180 -3.958 -5.696 1.00 63.25 O ATOM 1599 OE2 GLU A 96 10.926 -5.892 -6.388 1.00 63.40 O ATOM 0 H GLU A 96 7.060 -4.347 -9.030 1.00 62.45 H new ATOM 0 HA GLU A 96 9.184 -3.250 -10.775 1.00 40.40 H new ATOM 0 HB2 GLU A 96 10.695 -4.182 -9.030 1.00 10.33 H new ATOM 0 HB3 GLU A 96 9.632 -2.905 -8.473 1.00 10.33 H new ATOM 0 HG2 GLU A 96 8.207 -4.483 -7.304 1.00 54.53 H new ATOM 0 HG3 GLU A 96 9.006 -5.854 -8.047 1.00 54.53 H new ATOM 1606 N LYS A 97 9.272 -5.356 -12.145 1.00 45.30 N ATOM 1607 CA LYS A 97 9.451 -6.559 -12.972 1.00 55.13 C ATOM 1608 C LYS A 97 10.891 -7.092 -12.752 1.00 43.15 C ATOM 1609 O LYS A 97 11.063 -8.123 -12.058 1.00 34.32 O ATOM 1610 CB LYS A 97 9.142 -6.203 -14.468 1.00 32.42 C ATOM 1611 CG LYS A 97 8.916 -7.390 -15.452 1.00 63.33 C ATOM 1612 CD LYS A 97 10.191 -8.128 -15.946 1.00 23.44 C ATOM 1613 CE LYS A 97 11.140 -7.261 -16.818 1.00 3.21 C ATOM 1614 NZ LYS A 97 11.978 -6.327 -16.016 1.00 63.31 N ATOM 1615 OXT LYS A 97 11.843 -6.442 -13.230 1.00 38.24 O ATOM 0 H LYS A 97 9.335 -4.483 -12.669 1.00 45.30 H new ATOM 0 HA LYS A 97 8.760 -7.353 -12.689 1.00 55.13 H new ATOM 0 HB2 LYS A 97 8.252 -5.574 -14.488 1.00 32.42 H new ATOM 0 HB3 LYS A 97 9.967 -5.601 -14.849 1.00 32.42 H new ATOM 0 HG2 LYS A 97 8.266 -8.118 -14.966 1.00 63.33 H new ATOM 0 HG3 LYS A 97 8.379 -7.015 -16.323 1.00 63.33 H new ATOM 0 HD2 LYS A 97 10.744 -8.491 -15.080 1.00 23.44 H new ATOM 0 HD3 LYS A 97 9.889 -9.004 -16.521 1.00 23.44 H new ATOM 0 HE2 LYS A 97 11.790 -7.916 -17.399 1.00 3.21 H new ATOM 0 HE3 LYS A 97 10.547 -6.687 -17.530 1.00 3.21 H new ATOM 0 HZ1 LYS A 97 11.630 -5.355 -16.140 1.00 63.31 H new ATOM 0 HZ2 LYS A 97 11.924 -6.588 -15.011 1.00 63.31 H new ATOM 0 HZ3 LYS A 97 12.966 -6.385 -16.336 1.00 63.31 H new TER 1629 LYS A 97